smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H](C)C2)C1 ZINC000947703305 719249100 /nfs/dbraw/zinc/24/91/00/719249100.db2.gz XLXMHBFTWZBBAR-NEPJUHHUSA-N -1 0 319.409 1.336 20 30 DDEDRM C=CCCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001211617505 735363528 /nfs/dbraw/zinc/36/35/28/735363528.db2.gz SSAUVNPXNWPPHK-UHFFFAOYSA-N -1 0 301.368 1.139 20 30 DDEDRM C=C1CC(C)(C(=O)N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1 ZINC001011008249 733719087 /nfs/dbraw/zinc/71/90/87/733719087.db2.gz MBFUYAHINLSGEV-UHFFFAOYSA-N -1 0 318.377 1.064 20 30 DDEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](C)(C#N)C1 ZINC000694603009 736289923 /nfs/dbraw/zinc/28/99/23/736289923.db2.gz UIGLSXRZTHLXGR-LBPRGKRZSA-N -1 0 314.388 1.679 20 30 DDEDRM Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)c3ncccc3O)C2)n1 ZINC001059196982 740363869 /nfs/dbraw/zinc/36/38/69/740363869.db2.gz 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/nfs/dbraw/zinc/11/85/87/408118587.db2.gz CGKLHHDIQIQSBU-UHFFFAOYSA-N -1 0 312.391 1.715 20 30 DDEDRM COc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)ccc1F ZINC000191003517 408356458 /nfs/dbraw/zinc/35/64/58/408356458.db2.gz VGHVOHKHDYBUQO-UHFFFAOYSA-N -1 0 310.310 1.538 20 30 DDEDRM COC[C@@](C)(C#N)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000269639200 408370702 /nfs/dbraw/zinc/37/07/02/408370702.db2.gz XOCDLWUNHLHFCN-MRXNPFEDSA-N -1 0 314.345 1.133 20 30 DDEDRM Cc1c(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)cccc1[N+](=O)[O-] ZINC000159580496 408420331 /nfs/dbraw/zinc/42/03/31/408420331.db2.gz QJNLZDFCQUFOKS-UHFFFAOYSA-N -1 0 310.273 1.551 20 30 DDEDRM CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1nnn[n-]1 ZINC000176749447 408431689 /nfs/dbraw/zinc/43/16/89/408431689.db2.gz CWEHPALXTPMIPW-PWSUYJOCSA-N -1 0 314.349 1.496 20 30 DDEDRM N#CCCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccsc1 ZINC000274877239 408565610 /nfs/dbraw/zinc/56/56/10/408565610.db2.gz BVWPMGPHOFWJJJ-LLVKDONJSA-N -1 0 316.404 1.877 20 30 DDEDRM N#CCCCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000274935975 408567273 /nfs/dbraw/zinc/56/72/73/408567273.db2.gz PYASZTMGVYIYMG-UHFFFAOYSA-N -1 0 300.311 1.959 20 30 DDEDRM N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000167331127 408817432 /nfs/dbraw/zinc/81/74/32/408817432.db2.gz GZKVGFKELHUTRH-PWSUYJOCSA-N -1 0 314.794 1.651 20 30 DDEDRM C#CCO[N-]C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000291032313 408857742 /nfs/dbraw/zinc/85/77/42/408857742.db2.gz BMZBRJNQWAFQJZ-QGZVFWFLSA-N -1 0 300.358 1.610 20 30 DDEDRM N#CC1CCC(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000281681924 408909623 /nfs/dbraw/zinc/90/96/23/408909623.db2.gz AGPVFLIVTSYWHX-UHFFFAOYSA-N -1 0 322.386 1.993 20 30 DDEDRM N#Cc1ccc(N2CC[C@H](Sc3n[nH]c(=O)[n-]3)C2=O)cc1 ZINC000187635857 163024522 /nfs/dbraw/zinc/02/45/22/163024522.db2.gz OJGOGCDZRAUMEI-JTQLQIEISA-N -1 0 301.331 1.280 20 30 DDEDRM C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000291818084 408928077 /nfs/dbraw/zinc/92/80/77/408928077.db2.gz DOAMFXYBXVXEFK-LBPRGKRZSA-N -1 0 315.395 1.048 20 30 DDEDRM C=CCN(CCC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000291988451 408958554 /nfs/dbraw/zinc/95/85/54/408958554.db2.gz WBWNACJNUCPDBR-UHFFFAOYSA-N -1 0 308.359 1.784 20 30 DDEDRM C#C[C@@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C(C)C ZINC000282142638 408999190 /nfs/dbraw/zinc/99/91/90/408999190.db2.gz PYSROIZMMJDRMU-GFCCVEGCSA-N -1 0 312.366 1.585 20 30 DDEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000293267599 409078465 /nfs/dbraw/zinc/07/84/65/409078465.db2.gz HDXSUPRCHNIJOC-SNVBAGLBSA-N -1 0 307.354 1.138 20 30 DDEDRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c1[O-] ZINC000278354322 409079141 /nfs/dbraw/zinc/07/91/41/409079141.db2.gz ZNLBSYCZTONIFD-LBPRGKRZSA-N -1 0 315.329 1.476 20 30 DDEDRM CCN(C[C@@H](C)C#N)C(=O)CSc1nc(C(=O)OC)c[nH]1 ZINC000278568233 409085400 /nfs/dbraw/zinc/08/54/00/409085400.db2.gz DGXUHVMEZLAANB-VIFPVBQESA-N -1 0 310.379 1.297 20 30 DDEDRM C#CCOc1ccc(F)cc1NC(=O)C(=O)[N-]OC[C@H](C)CC ZINC000293384360 409102003 /nfs/dbraw/zinc/10/20/03/409102003.db2.gz QGUGJBXWHFVUEP-LLVKDONJSA-N -1 0 322.336 1.870 20 30 DDEDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408486614 164347439 /nfs/dbraw/zinc/34/74/39/164347439.db2.gz JZMYQFWDDUFCMT-LLVKDONJSA-N -1 0 307.375 1.584 20 30 DDEDRM C[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)n1cnc(C#N)n1 ZINC000350048211 409922423 /nfs/dbraw/zinc/92/24/23/409922423.db2.gz LOFUDKDACFFEOL-NSHDSACASA-N -1 0 319.328 1.806 20 30 DDEDRM CSc1[n-]c(=O)c(C(=O)NCCCOC(F)F)cc1C#N ZINC000338273844 409862042 /nfs/dbraw/zinc/86/20/42/409862042.db2.gz DTFPPMZPEOADIP-UHFFFAOYSA-N -1 0 317.317 1.740 20 30 DDEDRM N#Cc1ccc(-n2ccc(NC(=O)c3cncc(O)c3)n2)c(F)c1 ZINC000354613212 409969025 /nfs/dbraw/zinc/96/90/25/409969025.db2.gz BUDKSLWDJCXLOI-UHFFFAOYSA-N -1 0 323.287 2.236 20 30 DDEDRM COc1cccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1[N+](=O)[O-] ZINC000357224982 409947893 /nfs/dbraw/zinc/94/78/93/409947893.db2.gz CDXCHTRLDSCVFA-UHFFFAOYSA-N -1 0 301.262 1.759 20 30 DDEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1 ZINC000357388496 410007749 /nfs/dbraw/zinc/00/77/49/410007749.db2.gz MWSLJUMJIBOPGO-UHFFFAOYSA-N -1 0 319.346 1.331 20 30 DDEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cncnc2C)n1 ZINC000354692315 410020948 /nfs/dbraw/zinc/02/09/48/410020948.db2.gz ZUKJNVDGGYCZPJ-VIFPVBQESA-N -1 0 316.342 1.908 20 30 DDEDRM CNc1ccc(C#N)cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC000355630218 410616436 /nfs/dbraw/zinc/61/64/36/410616436.db2.gz RLEIKKXVKIBXNM-UHFFFAOYSA-N -1 0 308.301 1.188 20 30 DDEDRM CCOC(=O)Cc1n[n-]c(=NC(=O)c2ccc(C#N)s2)s1 ZINC000337592480 410881120 /nfs/dbraw/zinc/88/11/20/410881120.db2.gz IFVSDWODRXUUKY-UHFFFAOYSA-N -1 0 322.371 1.829 20 30 DDEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000360197711 411096705 /nfs/dbraw/zinc/09/67/05/411096705.db2.gz GSYSXIGWGBMIBG-CYBMUJFWSA-N -1 0 307.375 1.623 20 30 DDEDRM C=CCCCCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000580095687 422888782 /nfs/dbraw/zinc/88/87/82/422888782.db2.gz DDFGDSXTKPHNQT-CYBMUJFWSA-N -1 0 310.394 1.562 20 30 DDEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000571790639 304487794 /nfs/dbraw/zinc/48/77/94/304487794.db2.gz XCQLCFHRBAFVBZ-GVJMRKKJSA-N -1 0 314.750 1.353 20 30 DDEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000194715014 222181669 /nfs/dbraw/zinc/18/16/69/222181669.db2.gz BCWCIMPVOSMRGI-UHFFFAOYSA-N -1 0 312.301 1.512 20 30 DDEDRM C=CCOC[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C(=O)[O-] ZINC000262887007 222298001 /nfs/dbraw/zinc/29/80/01/222298001.db2.gz CPRPQMWBKNPUIE-CZUORRHYSA-N -1 0 317.385 1.954 20 30 DDEDRM C=CCC[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)[O-] ZINC000262846351 222298315 /nfs/dbraw/zinc/29/83/15/222298315.db2.gz HJRPZXOPODESLZ-NEPJUHHUSA-N -1 0 320.320 1.787 20 30 DDEDRM C=CCOC[C@@H](NC(=O)CCC(=O)c1ccccc1)C(=O)[O-] ZINC000262931214 222298914 /nfs/dbraw/zinc/29/89/14/222298914.db2.gz GZJZWBMUNZNZRE-CYBMUJFWSA-N -1 0 305.330 1.422 20 30 DDEDRM C=CCOc1cccnc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000262939565 222299273 /nfs/dbraw/zinc/29/92/73/222299273.db2.gz HFCPSCSBRZQKMR-MRXNPFEDSA-N -1 0 304.346 1.973 20 30 DDEDRM C=CCOC[C@@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C(=O)[O-] ZINC000263017873 222301317 /nfs/dbraw/zinc/30/13/17/222301317.db2.gz NQOWSKCTNNTHRA-CHWSQXEVSA-N -1 0 309.366 1.223 20 30 DDEDRM C=CCOC[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000263012563 222301371 /nfs/dbraw/zinc/30/13/71/222301371.db2.gz NFRONVQAVJFOPM-JTQLQIEISA-N -1 0 318.251 1.486 20 30 DDEDRM C=CCC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263043996 222301419 /nfs/dbraw/zinc/30/14/19/222301419.db2.gz ZXIBKWJHEIVLGW-LLVKDONJSA-N -1 0 307.306 1.542 20 30 DDEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263076015 222303141 /nfs/dbraw/zinc/30/31/41/222303141.db2.gz RSJVPSFCBVFIGH-MCIONIFRSA-N -1 0 307.321 1.701 20 30 DDEDRM C=CCOC[C@@H](NC(=O)COc1cc(C)ccc1C)C(=O)[O-] ZINC000263116653 222304428 /nfs/dbraw/zinc/30/44/28/222304428.db2.gz VAKASDDSBVDKBW-CYBMUJFWSA-N -1 0 307.346 1.454 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@H]1COc2ccccc2C1)C(=O)[O-] ZINC000263172556 222304813 /nfs/dbraw/zinc/30/48/13/222304813.db2.gz YXKHVXKINTYVAW-CHWSQXEVSA-N -1 0 305.330 1.010 20 30 DDEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCCO1 ZINC000263345282 222307898 /nfs/dbraw/zinc/30/78/98/222307898.db2.gz GLFNDYFVJKSIDP-UONOGXRCSA-N -1 0 302.330 1.365 20 30 DDEDRM N#CCC1(CS(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000263478803 222308198 /nfs/dbraw/zinc/30/81/98/222308198.db2.gz KCRGDIAFAIBDKQ-SMDDNHRTSA-N -1 0 312.391 1.197 20 30 DDEDRM C#CCOc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000263411952 222308492 /nfs/dbraw/zinc/30/84/92/222308492.db2.gz VBLMYRREGNZIMA-CYBMUJFWSA-N -1 0 302.330 1.315 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)[C@H]1COc2c(cccc2OCC)C1 ZINC000372903573 418913361 /nfs/dbraw/zinc/91/33/61/418913361.db2.gz KFCBXFREOFMZOZ-CYBMUJFWSA-N -1 0 319.357 1.736 20 30 DDEDRM CSc1[n-]c(=O)c(C(=O)N[C@]2(C#N)CC2(C)C)cc1C#N ZINC000427884476 419764351 /nfs/dbraw/zinc/76/43/51/419764351.db2.gz INXMSTSBGAPKLJ-AWEZNQCLSA-N -1 0 302.359 1.803 20 30 DDEDRM C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422643122 419963604 /nfs/dbraw/zinc/96/36/04/419963604.db2.gz IFDNLRROMUMPRK-NSHDSACASA-N -1 0 302.330 1.890 20 30 DDEDRM Cc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])nn1CCC#N ZINC000424377639 420315766 /nfs/dbraw/zinc/31/57/66/420315766.db2.gz DUDNAHVIVISCQV-LBPRGKRZSA-N -1 0 321.381 1.974 20 30 DDEDRM C=CCN(C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000420604455 420329727 /nfs/dbraw/zinc/32/97/27/420329727.db2.gz YJZOAVSVOKRNEP-UHFFFAOYSA-N -1 0 302.330 1.178 20 30 DDEDRM Cc1cc(S(=O)(=O)[N-]c2ccnc3ncnn32)ccc1C#N ZINC000446768160 230302697 /nfs/dbraw/zinc/30/26/97/230302697.db2.gz XRKBFFBUSGUHOU-UHFFFAOYSA-N -1 0 314.330 1.105 20 30 DDEDRM N#Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1[O-] ZINC000442659914 420695817 /nfs/dbraw/zinc/69/58/17/420695817.db2.gz RRKYXEZTPWFQQO-UHFFFAOYSA-N -1 0 317.326 1.164 20 30 DDEDRM COc1ncc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C(N)=O ZINC000442681397 420699519 /nfs/dbraw/zinc/69/95/19/420699519.db2.gz REGISBVOOPGGOF-UHFFFAOYSA-N -1 0 312.285 1.019 20 30 DDEDRM CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(NC(C)=O)cc1 ZINC000493121177 420762016 /nfs/dbraw/zinc/76/20/16/420762016.db2.gz RJGAAVVHARDNTO-YFHOEESVSA-N -1 0 320.370 1.128 20 30 DDEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)/C=C/C2CC2)c1 ZINC000493259759 420800657 /nfs/dbraw/zinc/80/06/57/420800657.db2.gz BGXVBVKCULFKCV-GQCTYLIASA-N -1 0 308.334 1.610 20 30 DDEDRM N#Cc1ccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000493285649 420807357 /nfs/dbraw/zinc/80/73/57/420807357.db2.gz AENUPNBYPUGYLJ-DANTVBBOSA-N -1 0 323.356 1.801 20 30 DDEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCOC1 ZINC000493387260 420835344 /nfs/dbraw/zinc/83/53/44/420835344.db2.gz NNXMDEWTKZVGKH-QMAVJUDZSA-N -1 0 320.370 1.264 20 30 DDEDRM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)[N-]S(=O)(=O)CCC#N)o1 ZINC000493804817 420944861 /nfs/dbraw/zinc/94/48/61/420944861.db2.gz TUSFQPNQZGEVTJ-INCYKZHSSA-N -1 0 308.359 1.776 20 30 DDEDRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1F ZINC000548589082 421451368 /nfs/dbraw/zinc/45/13/68/421451368.db2.gz BUOOZMNKOKEKOO-QMMMGPOBSA-N -1 0 300.311 1.229 20 30 DDEDRM C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)[C@H]1C1CC1 ZINC000528911278 421523884 /nfs/dbraw/zinc/52/38/84/421523884.db2.gz WHCYHVIYEGGTGR-FZZIBODNSA-N -1 0 304.371 1.655 20 30 DDEDRM CCN(CC#N)S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000563232315 421476706 /nfs/dbraw/zinc/47/67/06/421476706.db2.gz VKTCFXDVCTXMFC-UHFFFAOYSA-N -1 0 300.311 1.367 20 30 DDEDRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000530143561 421583149 /nfs/dbraw/zinc/58/31/49/421583149.db2.gz UWQWSEHGLCLZCH-TXEJJXNPSA-N -1 0 314.407 1.585 20 30 DDEDRM CCC[C@H](C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530270695 421590405 /nfs/dbraw/zinc/59/04/05/421590405.db2.gz RSCOCZZROGPRJJ-JTQLQIEISA-N -1 0 304.350 1.030 20 30 DDEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)C(=O)[O-] ZINC000517075668 421593713 /nfs/dbraw/zinc/59/37/13/421593713.db2.gz ZGUAMBBPTDBOPE-VXGBXAGGSA-N -1 0 306.366 1.516 20 30 DDEDRM N#C[C@@H]1COCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000567485851 421612337 /nfs/dbraw/zinc/61/23/37/421612337.db2.gz RXIWFDWOYGXBSZ-MRVPVSSYSA-N -1 0 300.236 1.776 20 30 DDEDRM C=CCCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])nn1 ZINC000568384191 421619968 /nfs/dbraw/zinc/61/99/68/421619968.db2.gz BSQHIQWFOTUAFY-GMXVVIOVSA-N -1 0 304.350 1.180 20 30 DDEDRM Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-] ZINC000521832252 421801221 /nfs/dbraw/zinc/80/12/21/421801221.db2.gz GFURTFIJVWVZGX-ZDUSSCGKSA-N -1 0 322.386 1.741 20 30 DDEDRM C=CCOC[C@H](NS(=O)(=O)c1cc(F)ccc1C)C(=O)[O-] ZINC000572998668 421894698 /nfs/dbraw/zinc/89/46/98/421894698.db2.gz KFZQJVNYGIOAKV-NSHDSACASA-N -1 0 317.338 1.068 20 30 DDEDRM C=CCOC[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)[O-] ZINC000573896315 422032093 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Cc1ncc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1C#N ZINC000574821633 422191797 /nfs/dbraw/zinc/19/17/97/422191797.db2.gz LGJQMIDOUNFDLF-UHFFFAOYSA-N -1 0 317.374 1.673 20 30 DDEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000577045808 422380917 /nfs/dbraw/zinc/38/09/17/422380917.db2.gz IUKOMXMUYCNTDD-GFCCVEGCSA-N -1 0 306.318 1.399 20 30 DDEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nnn[n-]1 ZINC000602057631 422430049 /nfs/dbraw/zinc/43/00/49/422430049.db2.gz LDVJCKARGZDLDR-UHFFFAOYSA-N -1 0 312.377 1.833 20 30 DDEDRM COCc1ccccc1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000611512394 422476988 /nfs/dbraw/zinc/47/69/88/422476988.db2.gz MHVWQZDVXQDESS-UHFFFAOYSA-N -1 0 309.372 1.962 20 30 DDEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000629333945 422616861 /nfs/dbraw/zinc/61/68/61/422616861.db2.gz FDWRXDGFAKGSLT-MRVPVSSYSA-N -1 0 302.377 1.428 20 30 DDEDRM C=C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000646158198 423371639 /nfs/dbraw/zinc/37/16/39/423371639.db2.gz KAQSUZCJJMUSIC-UHFFFAOYSA-N -1 0 318.373 1.880 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000644538303 423696444 /nfs/dbraw/zinc/69/64/44/423696444.db2.gz PZGVUULMKSSTTR-ZNMIVQPWSA-N -1 0 303.358 1.952 20 30 DDEDRM C=CC[C@@H](CO)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652113245 423871526 /nfs/dbraw/zinc/87/15/26/423871526.db2.gz HTMQSXUIQQFMFV-BBRMVZONSA-N -1 0 306.362 1.265 20 30 DDEDRM C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659652921 424138700 /nfs/dbraw/zinc/13/87/00/424138700.db2.gz OMIOMGYCJQMEIG-CYBMUJFWSA-N -1 0 324.421 1.951 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665311519 424779596 /nfs/dbraw/zinc/77/95/96/424779596.db2.gz QJJOMQFCJKCFQL-IHRRRGAJSA-N -1 0 310.394 1.768 20 30 DDEDRM C=C(C)CN(CC)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662903100 424799200 /nfs/dbraw/zinc/79/92/00/424799200.db2.gz TVUBPDFHNCJFCC-UHFFFAOYSA-N -1 0 310.394 1.514 20 30 DDEDRM COC(=O)c1nscc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000359493675 266672234 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CSc1[n-]c(=O)c(C(=O)NCc2snnc2C)cc1C#N ZINC000344680517 272087929 /nfs/dbraw/zinc/08/79/29/272087929.db2.gz NTDUQWKLLALXSC-UHFFFAOYSA-N -1 0 321.387 1.471 20 30 DDEDRM CC#CC[C@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000297064046 277928177 /nfs/dbraw/zinc/92/81/77/277928177.db2.gz WKRXTQIZZZGNIW-ZJUUUORDSA-N -1 0 309.334 1.208 20 30 DDEDRM C[C@H](CCNS(=O)(=O)c1ccc(C#N)cc1F)[S@](C)=O ZINC000124178196 281186112 /nfs/dbraw/zinc/18/61/12/281186112.db2.gz GSEYARHTSRNCKQ-AYLIAGHASA-N -1 0 318.395 1.133 20 30 DDEDRM C[C@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)cc1 ZINC000275086408 299865862 /nfs/dbraw/zinc/86/58/62/299865862.db2.gz JMHOGOZPFHIWSA-GWCFXTLKSA-N -1 0 308.359 1.575 20 30 DDEDRM Cc1cccc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])c1C#N ZINC000275079134 302015582 /nfs/dbraw/zinc/01/55/82/302015582.db2.gz YHWIIHZABVQQPZ-UHFFFAOYSA-N -1 0 310.375 1.646 20 30 DDEDRM N#CC1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCOCC1 ZINC000291940067 303146864 /nfs/dbraw/zinc/14/68/64/303146864.db2.gz 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ZINC000444296719 533711340 /nfs/dbraw/zinc/71/13/40/533711340.db2.gz QULSUAVEQHLCKA-NSHDSACASA-N -1 0 310.361 1.365 20 30 DDEDRM CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)s1 ZINC000399719187 331484405 /nfs/dbraw/zinc/48/44/05/331484405.db2.gz HQVDPPYIJZUFNX-GZMMTYOYSA-N -1 0 316.404 1.643 20 30 DDEDRM Cc1ccc(C(=O)[O-])c(NS(=O)(=O)N(C)C[C@H](C)C#N)c1 ZINC000564665880 332273469 /nfs/dbraw/zinc/27/34/69/332273469.db2.gz ALWUXDYANSIGDT-SNVBAGLBSA-N -1 0 311.363 1.441 20 30 DDEDRM CC1(C)CCCN(S(=O)(=O)CCCCC#N)[C@H]1C(=O)[O-] ZINC000580272123 333047649 /nfs/dbraw/zinc/04/76/49/333047649.db2.gz OZDHWEGHFGCPSV-NSHDSACASA-N -1 0 302.396 1.585 20 30 DDEDRM CCCN(CC#N)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000194702064 333315507 /nfs/dbraw/zinc/31/55/07/333315507.db2.gz ACWJGOBYJWKKEG-UHFFFAOYSA-N -1 0 316.386 1.447 20 30 DDEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000518986663 335763322 /nfs/dbraw/zinc/76/33/22/335763322.db2.gz VFAGKXAMOCWXJC-NEPJUHHUSA-N -1 0 317.411 1.184 20 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C=CCOC[C@@H](NC(=O)c1cccc(NC(=O)OC)c1)C(=O)[O-] ZINC000495874060 339993888 /nfs/dbraw/zinc/99/38/88/339993888.db2.gz IDGAGLZXXQGCQC-GFCCVEGCSA-N -1 0 322.317 1.251 20 30 DDEDRM C=CCO[N-]C(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000496283134 340002108 /nfs/dbraw/zinc/00/21/08/340002108.db2.gz LSTWBTFJNPMXMH-LBPRGKRZSA-N -1 0 324.381 1.562 20 30 DDEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000496436670 340005444 /nfs/dbraw/zinc/00/54/44/340005444.db2.gz ZCPDYKHFEVJBDT-JTQLQIEISA-N -1 0 319.317 1.204 20 30 DDEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CCOC)cc1 ZINC000548240627 341252945 /nfs/dbraw/zinc/25/29/45/341252945.db2.gz JRCGUOAMXIHMDV-UHFFFAOYSA-N -1 0 313.375 1.137 20 30 DDEDRM Cc1cnn(-c2c(C([O-])=C(C#N)c3ccncn3)c(C)nn2C)c1 ZINC000548631547 341267952 /nfs/dbraw/zinc/26/79/52/341267952.db2.gz PITYVYGFDOKCRZ-LBPRGKRZSA-N -1 0 321.344 1.503 20 30 DDEDRM C=CCC1(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CCC1 ZINC000565431666 341527151 /nfs/dbraw/zinc/52/71/51/341527151.db2.gz 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/nfs/dbraw/zinc/53/15/97/528531597.db2.gz OKAQFXOJAZENKK-LLVKDONJSA-N -1 0 302.396 1.347 20 30 DDEDRM CCn1cccc(C/N=C(/[O-])c2cc3n(n2)CCCO3)c1=O ZINC000329885442 529176624 /nfs/dbraw/zinc/17/66/24/529176624.db2.gz URHNKQIRCYXLQP-UHFFFAOYSA-N -1 0 302.334 1.352 20 30 DDEDRM C#Cc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000817675245 597257858 /nfs/dbraw/zinc/25/78/58/597257858.db2.gz GAIZBLYHLJGALD-UHFFFAOYSA-N -1 0 322.320 1.621 20 30 DDEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)[O-] ZINC000738360386 597498221 /nfs/dbraw/zinc/49/82/21/597498221.db2.gz FCLKZGSKKXHENR-JTQLQIEISA-N -1 0 316.317 1.167 20 30 DDEDRM Cc1ccccc1NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821125397 597605200 /nfs/dbraw/zinc/60/52/00/597605200.db2.gz JMRUQSPQINHVQJ-OAHLLOKOSA-N -1 0 304.302 1.481 20 30 DDEDRM COC(=O)c1csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000820694010 597609777 /nfs/dbraw/zinc/60/97/77/597609777.db2.gz YRFRWCUTTDKKEG-ZDUSSCGKSA-N -1 0 310.331 1.786 20 30 DDEDRM Cc1ccccc1CNC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821125636 597619306 /nfs/dbraw/zinc/61/93/06/597619306.db2.gz VBLCIJZAUVRZMD-MRXNPFEDSA-N -1 0 318.329 1.159 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ncn(-c2ccccc2)n1 ZINC000819874718 597624884 /nfs/dbraw/zinc/62/48/84/597624884.db2.gz PKCKXRRGDCXTIX-OAHLLOKOSA-N -1 0 314.301 1.315 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1CCCCCCC1 ZINC000819866342 597625892 /nfs/dbraw/zinc/62/58/92/597625892.db2.gz WCIFNTODAPYKPF-INIZCTEOSA-N -1 0 324.377 1.763 20 30 DDEDRM CN(CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1 ZINC000820592176 597628731 /nfs/dbraw/zinc/62/87/31/597628731.db2.gz OKGZALVCBUQRMH-MRXNPFEDSA-N -1 0 303.362 1.634 20 30 DDEDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820554361 597635880 /nfs/dbraw/zinc/63/58/80/597635880.db2.gz OWTZTIOQUAFTHN-MRXNPFEDSA-N -1 0 323.393 1.240 20 30 DDEDRM CCOC(=O)CC[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1 ZINC000820364365 597659650 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C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000835917494 707348427 /nfs/dbraw/zinc/34/84/27/707348427.db2.gz MHUOMFSJGUPQKH-AWEZNQCLSA-N -1 0 321.439 1.476 20 30 DDEDRM C=CCOC[C@H](NC(=O)NCC1CCC2(CC2)CC1)C(=O)[O-] ZINC000864544863 706191641 /nfs/dbraw/zinc/19/16/41/706191641.db2.gz UNLQHLZZBJQWRK-ZDUSSCGKSA-N -1 0 310.394 1.912 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(COC)c(OC)c1 ZINC000864583440 706202931 /nfs/dbraw/zinc/20/29/31/706202931.db2.gz SRJCQONWUXVQKO-UHFFFAOYSA-N -1 0 308.334 1.946 20 30 DDEDRM O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1ccc(O)cc1[O-] ZINC000865220460 706382589 /nfs/dbraw/zinc/38/25/89/706382589.db2.gz KBWRICKROHNDRW-RJNRQISESA-N -1 0 315.329 1.764 20 30 DDEDRM CN1CCCc2cc(NC(=O)N[C@H]3CCCN(O)C3=O)ccc21 ZINC000878460010 706394105 /nfs/dbraw/zinc/39/41/05/706394105.db2.gz BPZSSSVSSFYCQT-ZDUSSCGKSA-N -1 0 318.377 1.571 20 30 DDEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ncc[nH]2)C1=O ZINC000834785010 707117843 /nfs/dbraw/zinc/11/78/43/707117843.db2.gz FDGSWIAYUFCAJH-HNNXBMFYSA-N -1 0 321.381 1.726 20 30 DDEDRM Cc1cc(C#N)ccc1Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000881341759 707204454 /nfs/dbraw/zinc/20/44/54/707204454.db2.gz XWVSNJYNPARZGV-UHFFFAOYSA-N -1 0 323.278 1.685 20 30 DDEDRM Cc1nc(C(C)C)ccc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC000835273408 707210794 /nfs/dbraw/zinc/21/07/94/707210794.db2.gz LSMQCJINFNINFG-UHFFFAOYSA-N -1 0 309.391 1.877 20 30 DDEDRM C#CCCCNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000871891586 707232825 /nfs/dbraw/zinc/23/28/25/707232825.db2.gz FCTUUAKRIZFWNA-UHFFFAOYSA-N -1 0 311.359 1.014 20 30 DDEDRM Cc1c(C(=O)[N-]S(=O)(=O)CCC#N)cnn1C1CCCCC1 ZINC000835408787 707243938 /nfs/dbraw/zinc/24/39/38/707243938.db2.gz NUOSTSKVHIJZCV-UHFFFAOYSA-N -1 0 324.406 1.670 20 30 DDEDRM N#CCCS(=O)(=O)[N-]C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000835411131 707245523 /nfs/dbraw/zinc/24/55/23/707245523.db2.gz NDVXGAZCWLMJBM-UHFFFAOYSA-N -1 0 324.255 1.818 20 30 DDEDRM N#Cc1cccc(S(=O)(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC000872001818 707277210 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C=CCO[N-]C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000837045047 707570482 /nfs/dbraw/zinc/57/04/82/707570482.db2.gz VSSOVBMCQROGLC-MEDUHNTESA-N -1 0 323.393 1.357 20 30 DDEDRM C=CCO[N-]C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000837046112 707571051 /nfs/dbraw/zinc/57/10/51/707571051.db2.gz DPJUSWMWQKZNSL-HNNXBMFYSA-N -1 0 309.366 1.111 20 30 DDEDRM COc1ccc(CNC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1C#N ZINC000872853098 707625727 /nfs/dbraw/zinc/62/57/27/707625727.db2.gz QSJANVMLLNLIKW-QWHCGFSZSA-N -1 0 302.330 1.684 20 30 DDEDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3cc(C#N)ccn3)C2)cn1 ZINC000873069230 707717631 /nfs/dbraw/zinc/71/76/31/707717631.db2.gz IZXSGBBAONSLPQ-QWHCGFSZSA-N -1 0 311.345 1.381 20 30 DDEDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(C#N)cc3)C2)cn1 ZINC000873069855 707718225 /nfs/dbraw/zinc/71/82/25/707718225.db2.gz OPHXATMTAXUZBM-ZIAGYGMSSA-N -1 0 310.357 1.986 20 30 DDEDRM C#CCC1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000882771478 707786606 /nfs/dbraw/zinc/78/66/06/707786606.db2.gz DLVJPMBUEWJBBZ-UHFFFAOYSA-N -1 0 313.350 1.070 20 30 DDEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1ccc(C#N)o1 ZINC000873386114 707832806 /nfs/dbraw/zinc/83/28/06/707832806.db2.gz XSSYIAZIEMHFLS-UHFFFAOYSA-N -1 0 304.224 1.652 20 30 DDEDRM C=CCNC(=O)C(C#N)=C([O-])c1nc(C)cc(C(F)(F)F)n1 ZINC000873497078 707875457 /nfs/dbraw/zinc/87/54/57/707875457.db2.gz GOBILFRHGWPSBO-QMMMGPOBSA-N -1 0 312.251 1.429 20 30 DDEDRM CC(C)OC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC1 ZINC000873519306 707883309 /nfs/dbraw/zinc/88/33/09/707883309.db2.gz CCWAIOCDRQTTCU-UHFFFAOYSA-N -1 0 314.407 1.474 20 30 DDEDRM C=CCCOCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F ZINC000873565156 707897572 /nfs/dbraw/zinc/89/75/72/707897572.db2.gz MBZGNIGPRPAXDF-LLVKDONJSA-N -1 0 315.366 1.925 20 30 DDEDRM C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCCCO1 ZINC000838859114 707991014 /nfs/dbraw/zinc/99/10/14/707991014.db2.gz CNENJHFRMWAOQY-GFCCVEGCSA-N -1 0 300.380 1.085 20 30 DDEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1[C@@H]3C=C[C@@H](C3)[C@@H]1C(=O)[O-])C2 ZINC000887310990 709014502 /nfs/dbraw/zinc/01/45/02/709014502.db2.gz VOSIPLUMAMYBLB-IEHFGQBSSA-N -1 0 322.364 1.665 20 30 DDEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](CC)C(=O)[O-] ZINC000927959869 713088337 /nfs/dbraw/zinc/08/83/37/713088337.db2.gz PUHJDWQOHXHQAG-XQQFMLRXSA-N -1 0 310.394 1.465 20 30 DDEDRM N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1 ZINC000899929380 709240175 /nfs/dbraw/zinc/24/01/75/709240175.db2.gz CFMVRJVMPDRPFE-LBPRGKRZSA-N -1 0 318.354 1.047 20 30 DDEDRM Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1 ZINC000899956071 709249314 /nfs/dbraw/zinc/24/93/14/709249314.db2.gz ZSIHWQSSDDXBKJ-WFASDCNBSA-N -1 0 320.370 1.352 20 30 DDEDRM C=CCOC[C@H](NC(=O)NC[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000900309172 709533153 /nfs/dbraw/zinc/53/31/53/709533153.db2.gz WWYAVHJDLHKYDT-NEPJUHHUSA-N -1 0 314.382 1.289 20 30 DDEDRM C=CCC[C@@H](NC(=O)NCc1cccc2c1OCCO2)C(=O)[O-] ZINC000900314248 709536399 /nfs/dbraw/zinc/53/63/99/709536399.db2.gz XIZCTRGGSPRAPN-GFCCVEGCSA-N -1 0 320.345 1.676 20 30 DDEDRM C=CCC[C@H](NC(=O)c1cncc(-c2cnn(C)c2)c1)C(=O)[O-] ZINC000909719133 709595353 /nfs/dbraw/zinc/59/53/53/709595353.db2.gz WQNVYAZWSXIHGD-AWEZNQCLSA-N -1 0 314.345 1.631 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)C(=O)[O-] ZINC000909768204 709609417 /nfs/dbraw/zinc/60/94/17/709609417.db2.gz SZPYFKULYQRMJK-QWHCGFSZSA-N -1 0 311.378 1.498 20 30 DDEDRM C=CCOC[C@H](NC(=O)C[C@H]1CCO[C@H](C(C)C)C1)C(=O)[O-] ZINC000909769462 709610233 /nfs/dbraw/zinc/61/02/33/709610233.db2.gz YQTOIHIEYHWAQA-IHRRRGAJSA-N -1 0 313.394 1.600 20 30 DDEDRM C=CCOC[C@H](NC(=O)c1nsc2ccc(C)cc21)C(=O)[O-] ZINC000909770311 709610571 /nfs/dbraw/zinc/61/05/71/709610571.db2.gz FDOBGBCSZDDLST-NSHDSACASA-N -1 0 320.370 1.990 20 30 DDEDRM C#CC[C@H](NC(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)[O-] ZINC000910046449 709750773 /nfs/dbraw/zinc/75/07/73/709750773.db2.gz PWQVHVDDLHUQIA-STQMWFEESA-N -1 0 307.733 1.894 20 30 DDEDRM C#CC[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C1CC1)C(=O)[O-] ZINC000910047152 709751396 /nfs/dbraw/zinc/75/13/96/709751396.db2.gz ZGXJQYXEOIWUQT-GWCFXTLKSA-N -1 0 303.362 1.938 20 30 DDEDRM C#CC[C@@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC000910049232 709753358 /nfs/dbraw/zinc/75/33/58/709753358.db2.gz UEHGWKRFDYVJOC-LSDHHAIUSA-N -1 0 301.342 1.869 20 30 DDEDRM C#CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000910052245 709755084 /nfs/dbraw/zinc/75/50/84/709755084.db2.gz PWTLSTUGCUCPJJ-ZDUSSCGKSA-N -1 0 300.314 1.020 20 30 DDEDRM C#CC[C@@H](NC(=O)C1=Cc2cccc(OC)c2OC1)C(=O)[O-] ZINC000910053668 709756485 /nfs/dbraw/zinc/75/64/85/709756485.db2.gz YHRXXVJDZMXVPT-GFCCVEGCSA-N -1 0 301.298 1.064 20 30 DDEDRM C#CC[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(=O)[O-] ZINC000910054250 709757019 /nfs/dbraw/zinc/75/70/19/709757019.db2.gz KSHYRTSBANCTRD-JTQLQIEISA-N -1 0 319.386 1.965 20 30 DDEDRM C=CCCCNC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1 ZINC000910254182 709841917 /nfs/dbraw/zinc/84/19/17/709841917.db2.gz FLDWSIVJBHOTIQ-AWEZNQCLSA-N -1 0 301.346 1.788 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-] ZINC000910268137 709852188 /nfs/dbraw/zinc/85/21/88/709852188.db2.gz WEOZKYYSLFGCEC-MRVPVSSYSA-N -1 0 300.746 1.359 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)C(=O)[O-] ZINC000910272024 709856232 /nfs/dbraw/zinc/85/62/32/709856232.db2.gz RWCOVADSHDYCHF-MATHAZKKSA-N -1 0 310.575 1.872 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000910285509 709866069 /nfs/dbraw/zinc/86/60/69/709866069.db2.gz BARJNQXFINOGGT-CZUORRHYSA-N -1 0 316.401 1.969 20 30 DDEDRM C=CCNS(=O)(=O)c1ccccc1N(C)C[C@H](C)C(=O)[O-] ZINC000910309077 709882362 /nfs/dbraw/zinc/88/23/62/709882362.db2.gz JPYUMMRAKSQTES-NSHDSACASA-N -1 0 312.391 1.308 20 30 DDEDRM Cc1nnc([S-])n(N=Cc2cnn(CC3CCC3)c2)c1=O ZINC000901133127 709939633 /nfs/dbraw/zinc/93/96/33/709939633.db2.gz HRJKMTRNTXFFCG-UHFFFAOYSA-N -1 0 304.379 1.114 20 30 DDEDRM 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C=CCNC(=O)[C@H](C)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000738495220 603243801 /nfs/dbraw/zinc/24/38/01/603243801.db2.gz JWBPYAFKLZMBRY-NSHDSACASA-N -1 0 303.362 1.825 20 30 DDEDRM C#CCOc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cc1 ZINC000738467773 603253989 /nfs/dbraw/zinc/25/39/89/603253989.db2.gz PYDDHHBCJSXQCQ-AWEZNQCLSA-N -1 0 316.357 1.913 20 30 DDEDRM N#CCCn1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000831097188 603335548 /nfs/dbraw/zinc/33/55/48/603335548.db2.gz FIVQWGCDXLWGGT-NSHDSACASA-N -1 0 320.353 1.308 20 30 DDEDRM C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CC[C@@H]1NC(=O)[O-] ZINC000739169557 603337778 /nfs/dbraw/zinc/33/77/78/603337778.db2.gz QNUXEOIAQZICLU-RISCZKNCSA-N -1 0 301.346 1.871 20 30 DDEDRM C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000823463494 603349421 /nfs/dbraw/zinc/34/94/21/603349421.db2.gz QPTWJXBGKDJQQA-JTQLQIEISA-N -1 0 323.324 1.958 20 30 DDEDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000825426242 603369812 /nfs/dbraw/zinc/36/98/12/603369812.db2.gz AYBJIQARBSQRRD-GWCFXTLKSA-N -1 0 318.333 1.771 20 30 DDEDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739188122 603406820 /nfs/dbraw/zinc/40/68/20/603406820.db2.gz BPOVAJAARGRCKG-BXKDBHETSA-N -1 0 304.306 1.949 20 30 DDEDRM CN(CC1CCN(C(=O)c2ccc(C#N)nc2)CC1)C(=O)[O-] ZINC000739655590 603431372 /nfs/dbraw/zinc/43/13/72/603431372.db2.gz FJRAZWBMGCQQPN-UHFFFAOYSA-N -1 0 302.334 1.415 20 30 DDEDRM C[C@@H](NC(=O)N1CC[C@H](CNC(=O)[O-])C1)c1cccc(C#N)c1 ZINC000825134352 603441550 /nfs/dbraw/zinc/44/15/50/603441550.db2.gz BEUICQUVDCKMOA-DGCLKSJQSA-N -1 0 316.361 1.918 20 30 DDEDRM N#CCOc1ccc(COC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000831109427 603443507 /nfs/dbraw/zinc/44/35/07/603443507.db2.gz IVZNFYZVOLXSEC-UHFFFAOYSA-N -1 0 320.301 1.011 20 30 DDEDRM CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827807055 603581737 /nfs/dbraw/zinc/58/17/37/603581737.db2.gz SDXOISBBAMUXBC-CYBMUJFWSA-N -1 0 302.334 1.969 20 30 DDEDRM Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000829850687 603601406 /nfs/dbraw/zinc/60/14/06/603601406.db2.gz UAEJJJHPIYYTAD-SNVBAGLBSA-N -1 0 318.289 1.231 20 30 DDEDRM CN(C(=O)COc1ccccc1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000827775206 603679593 /nfs/dbraw/zinc/67/95/93/603679593.db2.gz OOGPDJORYRZHSN-LBPRGKRZSA-N -1 0 303.318 1.148 20 30 DDEDRM C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CCN1C(=O)[O-] ZINC000825994468 603686576 /nfs/dbraw/zinc/68/65/76/603686576.db2.gz AJKXPILQDOKSKT-CYBMUJFWSA-N -1 0 301.346 1.432 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1nc(-c2ccsc2)no1 ZINC000831091833 603726050 /nfs/dbraw/zinc/72/60/50/603726050.db2.gz LZDKBSJZRTZFCY-SNVBAGLBSA-N -1 0 319.346 1.486 20 30 DDEDRM Cc1nc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)nc2ccccc12 ZINC000830750971 603729310 /nfs/dbraw/zinc/72/93/10/603729310.db2.gz ICHXNFNWVGSWCQ-LBPRGKRZSA-N -1 0 311.345 1.626 20 30 DDEDRM C#CCCCNC(=O)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000823444145 603737724 /nfs/dbraw/zinc/73/77/24/603737724.db2.gz FBXCUGGEOJIGAT-UHFFFAOYSA-N -1 0 317.345 1.265 20 30 DDEDRM C[C@@H](C#N)CNC(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000823646464 603763418 /nfs/dbraw/zinc/76/34/18/603763418.db2.gz CKEGQDSBEPDDNZ-JTQLQIEISA-N -1 0 306.322 1.614 20 30 DDEDRM CN(Cc1cccc(C#N)c1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828365634 603836103 /nfs/dbraw/zinc/83/61/03/603836103.db2.gz ATXYBVXYBGAEIA-HNNXBMFYSA-N -1 0 305.309 1.609 20 30 DDEDRM C=CCNC(=O)COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000823506511 603930251 /nfs/dbraw/zinc/93/02/51/603930251.db2.gz IGGQMTJMXYOEGD-NEPJUHHUSA-N -1 0 312.366 1.438 20 30 DDEDRM Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c(C#N)c1C ZINC000830887194 604058738 /nfs/dbraw/zinc/05/87/38/604058738.db2.gz BYBVNNDXXHPPRE-RYUDHWBXSA-N -1 0 303.366 1.838 20 30 DDEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2ccsc2c1 ZINC000831091448 604068236 /nfs/dbraw/zinc/06/82/36/604068236.db2.gz FEEFCQLQEYSAJZ-JTQLQIEISA-N -1 0 316.342 1.624 20 30 DDEDRM CC(C)(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)no1 ZINC000823854590 604088151 /nfs/dbraw/zinc/08/81/51/604088151.db2.gz QBGITLUUZRYENU-SECBINFHSA-N -1 0 306.322 1.300 20 30 DDEDRM Cn1cc(C#N)c(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])n1 ZINC000830984817 604154851 /nfs/dbraw/zinc/15/48/51/604154851.db2.gz ISFFLZPHWYFPLE-KOLCDFICSA-N -1 0 320.353 1.240 20 30 DDEDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000825236057 604206341 /nfs/dbraw/zinc/20/63/41/604206341.db2.gz KSKQTBBNPMMTDL-CMPLNLGQSA-N -1 0 304.350 1.405 20 30 DDEDRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCNc1ncccc1C#N ZINC000824895667 604255770 /nfs/dbraw/zinc/25/57/70/604255770.db2.gz CDPLGBUXTLDXFP-JTQLQIEISA-N -1 0 306.322 1.154 20 30 DDEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823500651 604737453 /nfs/dbraw/zinc/73/74/53/604737453.db2.gz JEHNFQBDWDNOSQ-CQSZACIVSA-N -1 0 322.336 1.719 20 30 DDEDRM C=CCCS(=O)(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000823501519 604761258 /nfs/dbraw/zinc/76/12/58/604761258.db2.gz YHSBBWKLILYCSZ-ZDUSSCGKSA-N -1 0 316.423 1.747 20 30 DDEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000833368970 604864405 /nfs/dbraw/zinc/86/44/05/604864405.db2.gz YIUCPRMPPPYCGL-QGZVFWFLSA-N -1 0 323.352 1.759 20 30 DDEDRM C#Cc1cccc(NC(=S)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833368059 604870394 /nfs/dbraw/zinc/87/03/94/604870394.db2.gz ZXURCWYBSVNCCR-AWEZNQCLSA-N -1 0 318.398 1.522 20 30 DDEDRM C#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000229817681 605002119 /nfs/dbraw/zinc/00/21/19/605002119.db2.gz SOSYCWSRZPWZEZ-UHFFFAOYSA-N -1 0 301.751 1.730 20 30 DDEDRM C[C@@H](CN(C1CC1)S(=O)(=O)c1ccccc1C#N)C(=O)[O-] ZINC000833516844 605024064 /nfs/dbraw/zinc/02/40/64/605024064.db2.gz ZGCLPJQATKDPNG-JTQLQIEISA-N -1 0 308.359 1.432 20 30 DDEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)NCC1CCC1 ZINC000833408508 605040495 /nfs/dbraw/zinc/04/04/95/605040495.db2.gz ZGKCLYKHKBIBLF-JTQLQIEISA-N -1 0 308.407 1.732 20 30 DDEDRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000827544400 605080115 /nfs/dbraw/zinc/08/01/15/605080115.db2.gz YFMRHFYCBJRSQF-NSHDSACASA-N -1 0 305.290 1.086 20 30 DDEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833373502 605084334 /nfs/dbraw/zinc/08/43/34/605084334.db2.gz QVXPFUOBXBBIOH-JTQLQIEISA-N -1 0 307.350 1.523 20 30 DDEDRM C#CCOc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000738468228 605085165 /nfs/dbraw/zinc/08/51/65/605085165.db2.gz XZNZJEBTULVUNT-LBPRGKRZSA-N -1 0 303.318 1.572 20 30 DDEDRM C#CCN(Cc1ccc(F)cc1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833364269 605170793 /nfs/dbraw/zinc/17/07/93/605170793.db2.gz IQPMZMZTVMXFGL-ZDUSSCGKSA-N -1 0 304.321 1.152 20 30 DDEDRM N#CCN1CCC(OC(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000831102619 605269770 /nfs/dbraw/zinc/26/97/70/605269770.db2.gz PBPVLDXWNHFQLN-UHFFFAOYSA-N -1 0 303.318 1.921 20 30 DDEDRM C=CCNc1ncc(C(=O)NC[C@H]2CCCN2C(=O)[O-])s1 ZINC000823510705 605289469 /nfs/dbraw/zinc/28/94/69/605289469.db2.gz HUWDBNCGKFWYFP-SECBINFHSA-N -1 0 310.379 1.613 20 30 DDEDRM C=C(C)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833368472 605311202 /nfs/dbraw/zinc/31/12/02/605311202.db2.gz KIGQZCBRIOYVGN-UHFFFAOYSA-N -1 0 312.272 1.636 20 30 DDEDRM N#Cc1ccc(N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)nn1 ZINC000833972927 605405224 /nfs/dbraw/zinc/40/52/24/605405224.db2.gz FKKVIBUXILJFOQ-AAEUAGOBSA-N -1 0 301.350 1.707 20 30 DDEDRM C[C@@]1(CNC(=O)C2(C#N)CCOCC2)CCCN(C(=O)[O-])C1 ZINC000833824191 605416499 /nfs/dbraw/zinc/41/64/99/605416499.db2.gz UNHIIUOMSYTAFX-AWEZNQCLSA-N -1 0 309.366 1.203 20 30 DDEDRM C[C@]1(C#N)CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000833551089 605477767 /nfs/dbraw/zinc/47/77/67/605477767.db2.gz GIZFHJJDAGOJJO-MRXNPFEDSA-N -1 0 302.330 1.916 20 30 DDEDRM N#CCCCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000833967826 605589048 /nfs/dbraw/zinc/58/90/48/605589048.db2.gz HLTBWLNNTHISDW-UHFFFAOYSA-N -1 0 316.317 1.086 20 30 DDEDRM Cc1onc(CC(=O)Nc2cccc(CNC(=O)[O-])c2)c1C#N ZINC000833935284 605695538 /nfs/dbraw/zinc/69/55/38/605695538.db2.gz FJTTYNXXKINMQH-UHFFFAOYSA-N -1 0 314.301 1.804 20 30 DDEDRM N#Cc1ccc(-c2nc([C@H]3COCCN3C(=O)[O-])no2)cn1 ZINC000833975027 605703047 /nfs/dbraw/zinc/70/30/47/605703047.db2.gz PZUQHRBMUSAIPC-SNVBAGLBSA-N -1 0 301.262 1.055 20 30 DDEDRM N#CCN(C(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C1CCCC1 ZINC000831097694 605734027 /nfs/dbraw/zinc/73/40/27/605734027.db2.gz QPVMZESDNVRRKS-ZDUSSCGKSA-N -1 0 309.366 1.440 20 30 DDEDRM N#CCC[C@H](NC(=O)NCC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000833967223 605736463 /nfs/dbraw/zinc/73/64/63/605736463.db2.gz CNBVUZIBKBDSQQ-AWEZNQCLSA-N -1 0 316.361 1.940 20 30 DDEDRM Cc1ccc(C(F)(F)C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1 ZINC000833904978 605758192 /nfs/dbraw/zinc/75/81/92/605758192.db2.gz MTKZTELCGMINFC-GFCCVEGCSA-N -1 0 323.299 1.801 20 30 DDEDRM C=CCN(CC=C)C(=O)COC(=O)[C@]1(C)CCCCN1C(=O)[O-] ZINC000833788261 605866647 /nfs/dbraw/zinc/86/66/47/605866647.db2.gz SCJCLKLDWAKHGB-INIZCTEOSA-N -1 0 324.377 1.653 20 30 DDEDRM N#Cc1cc(F)ccc1NCCCN1CCN(C(=O)[O-])CC1 ZINC000833974601 605947926 /nfs/dbraw/zinc/94/79/26/605947926.db2.gz MBDPFSRJFIDUAY-UHFFFAOYSA-N -1 0 306.341 1.795 20 30 DDEDRM N#C[C@@H](C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2)C(=O)N1CCCC1 ZINC000833961833 605948777 /nfs/dbraw/zinc/94/87/77/605948777.db2.gz XNBDHBMLCHOQCJ-RYUDHWBXSA-N -1 0 319.361 1.098 20 30 DDEDRM N#C[C@H]1CSCCN1C(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833968117 605973329 /nfs/dbraw/zinc/97/33/29/605973329.db2.gz UKFYEMBPINYKEZ-LBPRGKRZSA-N -1 0 305.359 1.787 20 30 DDEDRM O=C([O-])Nc1cnc(C(=O)OCC#Cc2ccc(F)cc2)cn1 ZINC000834277385 606012325 /nfs/dbraw/zinc/01/23/25/606012325.db2.gz BVQQMLHPGNJRGI-UHFFFAOYSA-N -1 0 315.260 1.914 20 30 DDEDRM Cc1nc2ccccc2c(=O)n1N=C[C@H]1CCCN(C(=O)[O-])C1 ZINC000833916415 606046109 /nfs/dbraw/zinc/04/61/09/606046109.db2.gz LBEFMRIMHBUQJK-GFCCVEGCSA-N -1 0 314.345 1.929 20 30 DDEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCOCC(F)(F)F ZINC000122852823 696725750 /nfs/dbraw/zinc/72/57/50/696725750.db2.gz KHJLMWFGDWFHPD-MRVPVSSYSA-N -1 0 303.240 1.281 20 30 DDEDRM C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000797198357 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C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000819822747 598227609 /nfs/dbraw/zinc/22/76/09/598227609.db2.gz PSKPPTUEQWSPAT-GUYCJALGSA-N -1 0 315.373 1.776 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000819823615 598227871 /nfs/dbraw/zinc/22/78/71/598227871.db2.gz VGOLKZJCNQBZEB-PEGZWESCSA-N -1 0 308.284 1.941 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000819856622 598228073 /nfs/dbraw/zinc/22/80/73/598228073.db2.gz LEJVGQFATLBXDB-SNVBAGLBSA-N -1 0 304.228 1.388 20 30 DDEDRM COc1ccc(O[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820849935 598229010 /nfs/dbraw/zinc/22/90/10/598229010.db2.gz YZKMBGRDBMEXBF-BZNIZROVSA-N -1 0 320.345 1.583 20 30 DDEDRM CCn1ncc2c1CCC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820517494 598229615 /nfs/dbraw/zinc/22/96/15/598229615.db2.gz JDRMPQBBXVODNG-ABAIWWIYSA-N -1 0 304.350 1.401 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cccs2)CC1 ZINC000819823320 598230199 /nfs/dbraw/zinc/23/01/99/598230199.db2.gz SRZMTPBYGBCKLN-AWEZNQCLSA-N -1 0 307.375 1.401 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000819811190 598230381 /nfs/dbraw/zinc/23/03/81/598230381.db2.gz LLTAIIDFADZXCH-WFASDCNBSA-N -1 0 303.318 1.066 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000819856635 598230899 /nfs/dbraw/zinc/23/08/99/598230899.db2.gz LHZPWMSWHMUKCJ-SNVBAGLBSA-N -1 0 304.228 1.388 20 30 DDEDRM N#Cc1nc(NC(=O)C2CCCCCCC2)[n-]c1-c1nn[nH]n1 ZINC000822815378 599314213 /nfs/dbraw/zinc/31/42/13/599314213.db2.gz QAWMONYTMFSCCO-UHFFFAOYSA-N -1 0 314.353 1.760 20 30 DDEDRM C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000312483029 599726612 /nfs/dbraw/zinc/72/66/12/599726612.db2.gz UMUHKMDBQDVPLO-QMMMGPOBSA-N -1 0 316.766 1.818 20 30 DDEDRM N#Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000739116904 599861766 /nfs/dbraw/zinc/86/17/66/599861766.db2.gz FWBCVNUVKFFMDP-INIZCTEOSA-N -1 0 308.337 1.913 20 30 DDEDRM CCC[C@@H](C#N)NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000736950939 599935461 /nfs/dbraw/zinc/93/54/61/599935461.db2.gz BGPPGEZMPJTXIS-LBPRGKRZSA-N -1 0 320.345 1.971 20 30 DDEDRM N#Cc1ccc(-c2ccn(CN3CCO[C@H](C(=O)[O-])C3)n2)cc1 ZINC000738430003 599954827 /nfs/dbraw/zinc/95/48/27/599954827.db2.gz FKUDMYGVGQDUGG-HNNXBMFYSA-N -1 0 312.329 1.165 20 30 DDEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)NC(=O)[O-] ZINC000737800622 600154233 /nfs/dbraw/zinc/15/42/33/600154233.db2.gz ZDNVXOUKDZSFPS-UHFFFAOYSA-N -1 0 319.361 1.579 20 30 DDEDRM O=C([O-])c1ccc2[nH]cc(C=NNc3ncnc4[nH]cnc43)c2c1 ZINC000740190745 600182082 /nfs/dbraw/zinc/18/20/82/600182082.db2.gz QKJDHKYFCBBPKI-UHFFFAOYSA-N -1 0 321.300 1.978 20 30 DDEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCOc1cccc(C#N)c1 ZINC000736380159 600213328 /nfs/dbraw/zinc/21/33/28/600213328.db2.gz PHTMVYQQQXFHTF-CYBMUJFWSA-N -1 0 306.318 1.772 20 30 DDEDRM N#Cc1ccccc1/C=C/C(=O)NCCSCCC(=O)[O-] ZINC000739140691 600254691 /nfs/dbraw/zinc/25/46/91/600254691.db2.gz YNLGIEGZXAAGGT-AATRIKPKSA-N -1 0 304.371 1.896 20 30 DDEDRM CCOc1cc(C(=O)NC[C@@H](C)C#N)ccc1OCC(=O)[O-] ZINC000737185833 600267809 /nfs/dbraw/zinc/26/78/09/600267809.db2.gz NRIMFSHQPOSPRP-JTQLQIEISA-N -1 0 306.318 1.438 20 30 DDEDRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)C(=O)N(C)CCC#N ZINC000736672526 600325752 /nfs/dbraw/zinc/32/57/52/600325752.db2.gz QOFJXQJOIQKKOZ-GFCCVEGCSA-N -1 0 318.377 1.969 20 30 DDEDRM COc1ccc2nc(C)c(C(=O)N(CC#N)CC(=O)[O-])cc2c1 ZINC000738078146 600400968 /nfs/dbraw/zinc/40/09/68/600400968.db2.gz ALTUXHFIHXQDNE-UHFFFAOYSA-N -1 0 313.313 1.602 20 30 DDEDRM CC(=O)CCc1ccc(OCC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000736126760 600404259 /nfs/dbraw/zinc/40/42/59/600404259.db2.gz RGYKMFVAOLUTSP-UHFFFAOYSA-N -1 0 318.329 1.024 20 30 DDEDRM N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CCN1C1CC1 ZINC000739068218 600461506 /nfs/dbraw/zinc/46/15/06/600461506.db2.gz CARVGVJYBKHZRD-JTQLQIEISA-N -1 0 305.359 1.259 20 30 DDEDRM CN(C(=O)c1cccc(C#N)c1)c1nc(CC(=O)[O-])cs1 ZINC000737340892 600468826 /nfs/dbraw/zinc/46/88/26/600468826.db2.gz NAOLLLCFLCKBSH-UHFFFAOYSA-N -1 0 301.327 1.918 20 30 DDEDRM COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)C(=O)[O-])cc1 ZINC000737985974 600505864 /nfs/dbraw/zinc/50/58/64/600505864.db2.gz JHHSQBLVONRATF-NSHDSACASA-N -1 0 306.343 1.142 20 30 DDEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(C#N)cn2)C(=O)[O-])cc1 ZINC000739113743 600618035 /nfs/dbraw/zinc/61/80/35/600618035.db2.gz BDTGJHUDJYTUDY-CQSZACIVSA-N -1 0 307.265 1.808 20 30 DDEDRM COc1ccnc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738143298 600618499 /nfs/dbraw/zinc/61/84/99/600618499.db2.gz UTHWDIYHVQTFCD-CQSZACIVSA-N -1 0 312.281 1.945 20 30 DDEDRM N#Cc1ccsc1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000739143223 600626456 /nfs/dbraw/zinc/62/64/56/600626456.db2.gz ZDHQQERGDMZQQI-UHFFFAOYSA-N -1 0 308.344 1.741 20 30 DDEDRM COc1cc(CN(CC(=O)[O-])C(=O)[C@H](C)C#N)cc(OC)c1 ZINC000737882179 600682598 /nfs/dbraw/zinc/68/25/98/600682598.db2.gz UNIWVRGLXNRIIX-SNVBAGLBSA-N -1 0 306.318 1.277 20 30 DDEDRM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000825687443 600728570 /nfs/dbraw/zinc/72/85/70/600728570.db2.gz JZJFJNIIQIMKTN-QMMMGPOBSA-N -1 0 308.290 1.330 20 30 DDEDRM C#CCCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000825605864 600926031 /nfs/dbraw/zinc/92/60/31/600926031.db2.gz VIXQQDIXQRRLJR-UHFFFAOYSA-N -1 0 303.318 1.269 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCN1C1CC1 ZINC000833062474 600947067 /nfs/dbraw/zinc/94/70/67/600947067.db2.gz MGDZTNBTQUMHCW-MBNYWOFBSA-N -1 0 305.378 1.076 20 30 DDEDRM C=CCCOCC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000825676004 600951621 /nfs/dbraw/zinc/95/16/21/600951621.db2.gz NQXOXDSBNGIUCT-UHFFFAOYSA-N -1 0 307.302 1.703 20 30 DDEDRM CCN(CCC#N)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829692541 601011868 /nfs/dbraw/zinc/01/18/68/601011868.db2.gz KJWMUEOPVVGMRM-LBPRGKRZSA-N -1 0 303.362 1.625 20 30 DDEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1nn(C)cc1C#N ZINC000830814293 601138099 /nfs/dbraw/zinc/13/80/99/601138099.db2.gz BAFOTUUMCBFUTD-UHFFFAOYSA-N -1 0 313.317 1.654 20 30 DDEDRM CC(=O)c1[nH]c(CC(=O)O[C@H](C#N)C2CC2)c(C(=O)[O-])c1C ZINC000825936530 601240564 /nfs/dbraw/zinc/24/05/64/601240564.db2.gz IHKCSCRBDVAWOR-LLVKDONJSA-N -1 0 304.302 1.612 20 30 DDEDRM N#Cc1cccc([C@H](OC(=O)Cn2ccccc2=O)C(=O)[O-])c1 ZINC000833077432 601347378 /nfs/dbraw/zinc/34/73/78/601347378.db2.gz SFCRTZUWZNRKJF-HNNXBMFYSA-N -1 0 312.281 1.089 20 30 DDEDRM C[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1C(=O)[O-] ZINC000828360656 601658481 /nfs/dbraw/zinc/65/84/81/601658481.db2.gz AQQAHFMODXFTQW-SMDDNHRTSA-N -1 0 317.345 1.451 20 30 DDEDRM Cc1cc(C(=O)N(C)C[C@H](C)C#N)cc(C)c1OCC(=O)[O-] ZINC000832858813 601678941 /nfs/dbraw/zinc/67/89/41/601678941.db2.gz GTDMHVNYVWVKJF-SNVBAGLBSA-N -1 0 304.346 1.999 20 30 DDEDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1c(F)cc(C#N)cc1F ZINC000831559667 601684695 /nfs/dbraw/zinc/68/46/95/601684695.db2.gz VUMINTZZVYOLJC-CQSZACIVSA-N -1 0 312.272 1.446 20 30 DDEDRM C[C@H](C#N)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000054156596 601841995 /nfs/dbraw/zinc/84/19/95/601841995.db2.gz OHQCHEMKKBFYAW-SSDOTTSWSA-N -1 0 302.739 1.476 20 30 DDEDRM C[C@H](C#N)NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000738598914 601918286 /nfs/dbraw/zinc/91/82/86/601918286.db2.gz CADNFJYAMNQFJY-GFCCVEGCSA-N -1 0 301.346 1.726 20 30 DDEDRM N#Cc1cccc(NC(=O)CN2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740323073 601964120 /nfs/dbraw/zinc/96/41/20/601964120.db2.gz LNJXCGUYHYYUPD-LBPRGKRZSA-N -1 0 302.334 1.086 20 30 DDEDRM N#CCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740305259 602100333 /nfs/dbraw/zinc/10/03/33/602100333.db2.gz JNYADCQECUZNSO-ZDUSSCGKSA-N -1 0 303.318 1.348 20 30 DDEDRM COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832561982 602183249 /nfs/dbraw/zinc/18/32/49/602183249.db2.gz IRTGDNUVYOFICB-SKDRFNHKSA-N -1 0 304.302 1.453 20 30 DDEDRM N#Cc1cc(C#N)c(SCC2CCN(C(=O)[O-])CC2)nc1N ZINC000740310313 602263815 /nfs/dbraw/zinc/26/38/15/602263815.db2.gz DONFGRXVAUHBQC-UHFFFAOYSA-N -1 0 317.374 1.889 20 30 DDEDRM N#CCN1CCC(NC(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000738425638 602488894 /nfs/dbraw/zinc/48/88/94/602488894.db2.gz ISUVJSVXDTVFDW-UHFFFAOYSA-N -1 0 302.334 1.494 20 30 DDEDRM N#Cc1ccc(CC(=O)NC2(CNC(=O)[O-])CCCC2)cc1 ZINC000740313063 602520519 /nfs/dbraw/zinc/52/05/19/602520519.db2.gz OHYKBLGFKWHQSU-UHFFFAOYSA-N -1 0 301.346 1.797 20 30 DDEDRM CN(C(=O)[O-])C1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000737928370 602523611 /nfs/dbraw/zinc/52/36/11/602523611.db2.gz FPRVPNGSRQDJBW-UHFFFAOYSA-N -1 0 317.345 1.538 20 30 DDEDRM N#Cc1cccc(CNC(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000740320347 602597970 /nfs/dbraw/zinc/59/79/70/602597970.db2.gz MWJKONFYOLPHOC-CYBMUJFWSA-N -1 0 302.334 1.500 20 30 DDEDRM COc1cc(NC(=O)N2CCO[C@@H](C#N)C2)ccc1NC(=O)[O-] ZINC000739865929 602679825 /nfs/dbraw/zinc/67/98/25/602679825.db2.gz KAMHLSWKDUMPNI-JTQLQIEISA-N -1 0 320.305 1.541 20 30 DDEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000736348298 602724860 /nfs/dbraw/zinc/72/48/60/602724860.db2.gz WYXOEJZZAZHUJE-CYBMUJFWSA-N -1 0 310.398 1.069 20 30 DDEDRM CC(C)[C@H](C#N)N1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000824055658 602794109 /nfs/dbraw/zinc/79/41/09/602794109.db2.gz HUGIUJBPLCAAAH-AWEZNQCLSA-N -1 0 322.409 1.069 20 30 DDEDRM CC(C)[C@H](CNC(=O)NCc1cccc(C#N)c1)NC(=O)[O-] ZINC000738782642 602798031 /nfs/dbraw/zinc/79/80/31/602798031.db2.gz QHJKVTQEMDOBAK-ZDUSSCGKSA-N -1 0 304.350 1.650 20 30 DDEDRM N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)nc2n1CCS2 ZINC000738425566 603054339 /nfs/dbraw/zinc/05/43/39/603054339.db2.gz NWJBGRWRQMAJPF-MRVPVSSYSA-N -1 0 321.362 1.189 20 30 DDEDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000739206467 603112548 /nfs/dbraw/zinc/11/25/48/603112548.db2.gz YQRCVIBCDHDMHE-JSGCOSHPSA-N -1 0 316.357 1.658 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)cn1 ZINC000738434856 603125272 /nfs/dbraw/zinc/12/52/72/603125272.db2.gz QGZUMIMOUUJKHY-UHFFFAOYSA-N -1 0 319.298 1.811 20 30 DDEDRM C#CCOc1ccc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1 ZINC000738468144 603204878 /nfs/dbraw/zinc/20/48/78/603204878.db2.gz WHCDBNVCQOXNLQ-BETUJISGSA-N -1 0 316.357 1.911 20 30 DDEDRM C=CCNC(=O)c1ccc(N[C@H]2CCCN(C(=O)[O-])C2)nc1 ZINC000736105857 603232556 /nfs/dbraw/zinc/23/25/56/603232556.db2.gz MQHRTKKPWBMKOS-LBPRGKRZSA-N -1 0 304.350 1.552 20 30 DDEDRM C#CCOc1ccc(NC(=O)N(C)CCCNC(=O)[O-])cc1 ZINC000738467498 603319289 /nfs/dbraw/zinc/31/92/89/603319289.db2.gz MWUMNGZEUGWEOD-UHFFFAOYSA-N -1 0 305.334 1.820 20 30 DDEDRM C#CCOc1ccc(F)cc1NC(=O)NCCN(CC)C(=O)[O-] ZINC000823466938 603350088 /nfs/dbraw/zinc/35/00/88/603350088.db2.gz MRZLCTNCLREMLG-UHFFFAOYSA-N -1 0 323.324 1.959 20 30 DDEDRM COC(=O)[C@H](NC[C@H]1CCCN1C(=O)[O-])c1cccc(C#N)c1 ZINC000828612357 603565351 /nfs/dbraw/zinc/56/53/51/603565351.db2.gz JGERHGQRTBUHPW-ZIAGYGMSSA-N -1 0 317.345 1.504 20 30 DDEDRM Cc1ccc(C)c(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1 ZINC000830267611 603594189 /nfs/dbraw/zinc/59/41/89/603594189.db2.gz FTORKGRCETWJHC-CQSZACIVSA-N -1 0 301.346 1.560 20 30 DDEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cccc(F)c1 ZINC000831076433 603600095 /nfs/dbraw/zinc/60/00/95/603600095.db2.gz MHMBTOKIRSHVFC-ZFDPJTLLSA-N -1 0 303.293 1.553 20 30 DDEDRM C#Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)[O-])nc1 ZINC000823467198 603676404 /nfs/dbraw/zinc/67/64/04/603676404.db2.gz RHNRDTVSUFPQAG-FZMZJTMJSA-N -1 0 301.346 1.571 20 30 DDEDRM N#CCCn1ccc(NC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000831097635 603678331 /nfs/dbraw/zinc/67/83/31/603678331.db2.gz ODSBQHLQTDPNOO-UHFFFAOYSA-N -1 0 305.338 1.563 20 30 DDEDRM C[C@H]1CCCN(C(=O)C#Cc2ccccc2)[C@H]1CNC(=O)[O-] ZINC000825901933 603686307 /nfs/dbraw/zinc/68/63/07/603686307.db2.gz UJTNQSLWEDLTBF-ZFWWWQNUSA-N -1 0 300.358 1.933 20 30 DDEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CCO[C@@H]2C)o1 ZINC000824280155 607652751 /nfs/dbraw/zinc/65/27/51/607652751.db2.gz FCBAOMCFCUHRHV-MRVPVSSYSA-N -1 0 305.342 1.630 20 30 DDEDRM C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)c1cccc(C#N)c1 ZINC000825161150 603785384 /nfs/dbraw/zinc/78/53/84/603785384.db2.gz HNVNQJJGLJVVHW-ZWNOBZJWSA-N -1 0 302.334 1.671 20 30 DDEDRM N#Cc1ccc(F)c(COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000831132286 603789786 /nfs/dbraw/zinc/78/97/86/603789786.db2.gz SQZPLCQCPNGDJQ-CQSZACIVSA-N -1 0 310.256 1.833 20 30 DDEDRM N#Cc1ccc(F)c(CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1 ZINC000831132248 603819079 /nfs/dbraw/zinc/81/90/79/603819079.db2.gz RGRZQUMUGPPUIA-ZDUSSCGKSA-N -1 0 320.324 1.543 20 30 DDEDRM N#Cc1ccc(F)c(CNC(=O)N2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831131808 603902097 /nfs/dbraw/zinc/90/20/97/603902097.db2.gz BGZZYZCGXKWOKI-LBPRGKRZSA-N -1 0 320.324 1.639 20 30 DDEDRM N#Cc1ccc(OCCNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831141449 603908991 /nfs/dbraw/zinc/90/89/91/603908991.db2.gz IIJWGYYBOGUHPG-QWHCGFSZSA-N -1 0 317.345 1.490 20 30 DDEDRM N#C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000831070462 603973711 /nfs/dbraw/zinc/97/37/11/603973711.db2.gz LIXRPYLCIDQJKQ-RISCZKNCSA-N -1 0 309.272 1.599 20 30 DDEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000829603371 604029467 /nfs/dbraw/zinc/02/94/67/604029467.db2.gz HGJQXKWQGJURHQ-QKCSRTOESA-N -1 0 317.345 1.812 20 30 DDEDRM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825616831 604065296 /nfs/dbraw/zinc/06/52/96/604065296.db2.gz LHPIJNQEZIJVQH-ZYHUDNBSSA-N -1 0 321.308 1.307 20 30 DDEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cc(F)ccc1F ZINC000831082746 604073820 /nfs/dbraw/zinc/07/38/20/604073820.db2.gz PWFYTYYMDWKUKM-NSHDSACASA-N -1 0 309.272 1.222 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2cnccc21 ZINC000831091697 604077064 /nfs/dbraw/zinc/07/70/64/604077064.db2.gz KHMWLGITLHMQSV-GFCCVEGCSA-N -1 0 310.313 1.563 20 30 DDEDRM C[C@@]1(C(=O)OCCOc2ccc(C#N)cc2)CCN(C(=O)[O-])C1 ZINC000825689562 604100995 /nfs/dbraw/zinc/10/09/95/604100995.db2.gz AFQINUDIZKIFAV-MRXNPFEDSA-N -1 0 318.329 1.870 20 30 DDEDRM N#CCOc1ccc(CNC(=O)CC2(NC(=O)[O-])CCC2)cc1 ZINC000831102891 604147040 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C=CCO[N-]C(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000861880856 705593866 /nfs/dbraw/zinc/59/38/66/705593866.db2.gz SLJZIXDRUHEUQI-UHFFFAOYSA-N -1 0 304.346 1.753 20 30 DDEDRM C#CC[C@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000862555505 705733199 /nfs/dbraw/zinc/73/31/99/705733199.db2.gz DYNLBMYYUOCVFB-LBPRGKRZSA-N -1 0 306.387 1.544 20 30 DDEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cc1cc(-c2cccs2)on1 ZINC000826383308 705797527 /nfs/dbraw/zinc/79/75/27/705797527.db2.gz URMUAYQCGSGUNK-UHFFFAOYSA-N -1 0 324.329 1.700 20 30 DDEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)CCC#N)cc1 ZINC000835411978 707246065 /nfs/dbraw/zinc/24/60/65/707246065.db2.gz RPQSXSVXBKFMLY-UHFFFAOYSA-N -1 0 308.403 1.931 20 30 DDEDRM C#C[C@H](CC)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000871951117 707252906 /nfs/dbraw/zinc/25/29/06/707252906.db2.gz JUAXFASDPHYFMI-LLVKDONJSA-N -1 0 311.359 1.149 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)CCCC(=O)NC(C)C)C(=O)[O-] ZINC000864182581 706091495 /nfs/dbraw/zinc/09/14/95/706091495.db2.gz ASGOXRLDZUSDCQ-SNVBAGLBSA-N 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C=CCOc1ccccc1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630338284 422030524 /nfs/dbraw/zinc/03/05/24/422030524.db2.gz XUZUOUFUEMAZPC-KRWDZBQOSA-N -1 0 319.357 1.863 20 30 DDEDRM C=CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)nn1 ZINC000630280116 422002367 /nfs/dbraw/zinc/00/23/67/422002367.db2.gz BIPFWYCSFPYBRM-MDZLAQPJSA-N -1 0 304.350 1.180 20 30 DDEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)C(=O)[O-] ZINC000630317309 422019723 /nfs/dbraw/zinc/01/97/23/422019723.db2.gz OFBGHSRAPUWINH-JTQLQIEISA-N -1 0 320.374 1.693 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)[O-] ZINC000630317535 422020756 /nfs/dbraw/zinc/02/07/56/422020756.db2.gz RUWXJHQAOPUGBV-JOYOIKCWSA-N -1 0 318.329 1.555 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-] ZINC000630319066 422022236 /nfs/dbraw/zinc/02/22/36/422022236.db2.gz RJYIVHGWCLZTLJ-GFCCVEGCSA-N -1 0 305.334 1.004 20 30 DDEDRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000581946858 422073643 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C=CCn1cc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)nn1 ZINC000659407405 423807925 /nfs/dbraw/zinc/80/79/25/423807925.db2.gz BOPIWZQTNYTARE-LBPRGKRZSA-N -1 0 323.397 1.400 20 30 DDEDRM C=CCN(Cc1ccc(OC)cc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203343 424471854 /nfs/dbraw/zinc/47/18/54/424471854.db2.gz QPISEZLYSPHMAO-HNNXBMFYSA-N -1 0 318.373 1.369 20 30 DDEDRM CCC[C@@](C)(O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000359139030 266071785 /nfs/dbraw/zinc/07/17/85/266071785.db2.gz JHKJUWGVSXNRLT-CQSZACIVSA-N -1 0 309.391 1.662 20 30 DDEDRM CCn1nc(C)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000530158145 267260931 /nfs/dbraw/zinc/26/09/31/267260931.db2.gz MBXRIHCYTBMQFU-UHFFFAOYSA-N -1 0 305.363 1.587 20 30 DDEDRM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000523566971 268098517 /nfs/dbraw/zinc/09/85/17/268098517.db2.gz KLISEZQLPZEEPN-SSDOTTSWSA-N -1 0 310.310 1.428 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)o1 ZINC000377536469 268207014 /nfs/dbraw/zinc/20/70/14/268207014.db2.gz 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ZINC000551910282 303641962 /nfs/dbraw/zinc/64/19/62/303641962.db2.gz PLEUXPPOHOFUMR-OAHLLOKOSA-N -1 0 322.386 1.870 20 30 DDEDRM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000558472357 303771204 /nfs/dbraw/zinc/77/12/04/303771204.db2.gz YTOHHRSKYMQUKK-GWCFXTLKSA-N -1 0 312.347 1.463 20 30 DDEDRM CCO[C@@H](C)c1nc(Cn2c(=O)[n-]cc(C#N)c2=O)cs1 ZINC000577492479 308392229 /nfs/dbraw/zinc/39/22/29/308392229.db2.gz PYEISZJYFHINSH-QMMMGPOBSA-N -1 0 306.347 1.011 20 30 DDEDRM CC(C)(CC(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000579425825 308529573 /nfs/dbraw/zinc/52/95/73/308529573.db2.gz SFPLPFVWDBSZCX-UHFFFAOYSA-N -1 0 316.766 1.743 20 30 DDEDRM C=CCC[C@H](NC(=O)NCCc1cnc(C2CC2)nc1)C(=O)[O-] ZINC000556707677 331726299 /nfs/dbraw/zinc/72/62/99/331726299.db2.gz CETRUBZGFXXCEL-ZDUSSCGKSA-N -1 0 318.377 1.615 20 30 DDEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000316686904 332123186 /nfs/dbraw/zinc/12/31/86/332123186.db2.gz UIUWDAOXZFVKTM-CQSZACIVSA-N -1 0 309.387 1.873 20 30 DDEDRM C[C@@H](CC(C)(C)NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-] ZINC000580317310 333110858 /nfs/dbraw/zinc/11/08/58/333110858.db2.gz TWRRVYGEPDHLGD-JTQLQIEISA-N -1 0 302.396 1.489 20 30 DDEDRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406749 334286688 /nfs/dbraw/zinc/28/66/88/334286688.db2.gz CKQWUZAANNPDOY-UHFFFAOYSA-N -1 0 300.336 1.468 20 30 DDEDRM C=C(C)CS(=O)(=O)[N-]CC(F)(F)c1cccc(OC)n1 ZINC000352638335 336228095 /nfs/dbraw/zinc/22/80/95/336228095.db2.gz GLHBJDPGSGSHCC-UHFFFAOYSA-N -1 0 306.334 1.678 20 30 DDEDRM C=CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000185725694 337250800 /nfs/dbraw/zinc/25/08/00/337250800.db2.gz MIWPIHFFACAMBG-GXTWGEPZSA-N -1 0 318.373 1.050 20 30 DDEDRM CS(=O)(=O)c1nc(NC(=O)c2ccc3c(c2)CCC3)n[n-]1 ZINC000064348066 337302179 /nfs/dbraw/zinc/30/21/79/337302179.db2.gz FOSOWEQJWBYMEH-UHFFFAOYSA-N -1 0 306.347 1.333 20 30 DDEDRM C=CCC[C@H](NC(=O)CCCNC(=O)c1ccco1)C(=O)[O-] ZINC000316160471 340678424 /nfs/dbraw/zinc/67/84/24/340678424.db2.gz 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COC(=O)c1cnc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000356198761 534306309 /nfs/dbraw/zinc/30/63/09/534306309.db2.gz LFUHSHAVCAAZGO-SECBINFHSA-N -1 0 322.280 1.894 20 30 DDEDRM N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)CCC1 ZINC000417489983 534561928 /nfs/dbraw/zinc/56/19/28/534561928.db2.gz RBOWHRNMWCMOQR-GFCCVEGCSA-N -1 0 308.359 1.426 20 30 DDEDRM C=CCN(Cc1ccccc1)C(=O)c1c[n-]n2c1nccc2=O ZINC000339242619 526356593 /nfs/dbraw/zinc/35/65/93/526356593.db2.gz NGVDPSPDMVNNSM-UHFFFAOYSA-N -1 0 308.341 1.851 20 30 DDEDRM C=C(C)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000414333091 526454350 /nfs/dbraw/zinc/45/43/50/526454350.db2.gz SKDKOUPTHFHXKL-UHFFFAOYSA-N -1 0 317.338 1.534 20 30 DDEDRM C#CCN(CC#N)C(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000490963503 526877205 /nfs/dbraw/zinc/87/72/05/526877205.db2.gz VHBZCAXCQQICKY-UHFFFAOYSA-N -1 0 319.386 1.437 20 30 DDEDRM C#CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000490892013 526895311 /nfs/dbraw/zinc/89/53/11/526895311.db2.gz JBFIBNFYLIYIME-UHFFFAOYSA-N -1 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COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000049134994 696220998 /nfs/dbraw/zinc/22/09/98/696220998.db2.gz SCDHXHPKXMAGKO-UHFFFAOYSA-N -1 0 301.364 1.693 20 30 DDEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000049418093 696223772 /nfs/dbraw/zinc/22/37/72/696223772.db2.gz XLXSHJYPSAKWJZ-UHFFFAOYSA-N -1 0 314.388 1.774 20 30 DDEDRM Cc1ncsc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000118912233 696675496 /nfs/dbraw/zinc/67/54/96/696675496.db2.gz QGAVJKJSTDIEJS-NSHDSACASA-N -1 0 309.391 1.705 20 30 DDEDRM Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000118911879 696675614 /nfs/dbraw/zinc/67/56/14/696675614.db2.gz BUYRVCWERIJNJN-UHFFFAOYSA-N -1 0 307.356 1.442 20 30 DDEDRM CC[C@@]1(C)NC(=O)N(N=Cc2ccc([N+](=O)[O-])c([O-])c2)C1=O ZINC000748130746 700101456 /nfs/dbraw/zinc/10/14/56/700101456.db2.gz CVEQYSGSCIRLQX-CYBMUJFWSA-N -1 0 306.278 1.355 20 30 DDEDRM COc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CC2)cc1OC ZINC000120056403 696689478 /nfs/dbraw/zinc/68/94/78/696689478.db2.gz DQLZNLGZPRGSMI-GFCCVEGCSA-N 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/nfs/dbraw/zinc/43/71/02/697437102.db2.gz TUBVJVOCNBWGAB-NSHDSACASA-N -1 0 322.386 1.426 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1cc2nc(C)ccc2o1 ZINC000179612544 697439977 /nfs/dbraw/zinc/43/99/77/697439977.db2.gz BZHWJHNQAFATLQ-JTQLQIEISA-N -1 0 301.302 1.221 20 30 DDEDRM N#Cc1ccc([O-])c(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000179735477 697440963 /nfs/dbraw/zinc/44/09/63/697440963.db2.gz DCOCXCYXLKVBEF-UHFFFAOYSA-N -1 0 306.277 1.983 20 30 DDEDRM Cc1c(C(=O)[N-]S(=O)(=O)CCCC#N)cnn1C(C)(C)C ZINC000181259604 697456558 /nfs/dbraw/zinc/45/65/58/697456558.db2.gz LOKPFOWVNHZEJH-UHFFFAOYSA-N -1 0 312.395 1.310 20 30 DDEDRM N#CCCCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21 ZINC000181281406 697457094 /nfs/dbraw/zinc/45/70/94/697457094.db2.gz XRSPOBZNKISESX-UHFFFAOYSA-N -1 0 305.359 1.391 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000191268001 697603807 /nfs/dbraw/zinc/60/38/07/697603807.db2.gz CGMLLVLXOHXOCJ-UHFFFAOYSA-N -1 0 307.306 1.130 20 30 DDEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)n1cccn1 ZINC000772718169 697666834 /nfs/dbraw/zinc/66/68/34/697666834.db2.gz NTNRUEAEGLGBLI-ZDUSSCGKSA-N -1 0 305.359 1.105 20 30 DDEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)c(F)c1 ZINC000773978299 697830461 /nfs/dbraw/zinc/83/04/61/697830461.db2.gz BFTVHIQXVOGVCU-NSHDSACASA-N -1 0 304.277 1.213 20 30 DDEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1 ZINC000774045688 697837065 /nfs/dbraw/zinc/83/70/65/697837065.db2.gz XWENAAQBFSMZKM-NSHDSACASA-N -1 0 306.318 1.347 20 30 DDEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)ns1 ZINC000774186661 697853042 /nfs/dbraw/zinc/85/30/42/697853042.db2.gz YMHLRGJFRJGZFF-UHFFFAOYSA-N -1 0 313.404 1.595 20 30 DDEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000774400351 697875254 /nfs/dbraw/zinc/87/52/54/697875254.db2.gz UKOVFUFFVHMZDF-UHFFFAOYSA-N -1 0 311.359 1.312 20 30 DDEDRM C#Cc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)nc1 ZINC000774949942 697945870 /nfs/dbraw/zinc/94/58/70/697945870.db2.gz YNRAIMDZVWHTFU-UHFFFAOYSA-N -1 0 300.236 1.288 20 30 DDEDRM O=S(=O)(NN=Cc1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000749853130 700189539 /nfs/dbraw/zinc/18/95/39/700189539.db2.gz CXMJESSYFFMQMR-UHFFFAOYSA-N -1 0 312.297 1.983 20 30 DDEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc2c1CCC2 ZINC000776139561 698071920 /nfs/dbraw/zinc/07/19/20/698071920.db2.gz SPAGLXWPWUMEFS-UHFFFAOYSA-N -1 0 306.387 1.785 20 30 DDEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1 ZINC000776142386 698072251 /nfs/dbraw/zinc/07/22/51/698072251.db2.gz FGZMFNHPNCEALY-UHFFFAOYSA-N -1 0 308.403 1.923 20 30 DDEDRM COc1cccc(OC)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000776188105 698077554 /nfs/dbraw/zinc/07/75/54/698077554.db2.gz HZACHCGRLWAVGH-WAVCKPEOSA-N -1 0 316.309 1.932 20 30 DDEDRM N#Cc1ccc([O-])c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000776347815 698097321 /nfs/dbraw/zinc/09/73/21/698097321.db2.gz GYIRXDDTLZEGCN-UHFFFAOYSA-N -1 0 300.230 1.525 20 30 DDEDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000776517679 698112567 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N#Cc1ccc(NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739120791 599988124 /nfs/dbraw/zinc/98/81/24/599988124.db2.gz DUNHWHQEKBVVMH-MRXNPFEDSA-N -1 0 309.325 1.912 20 30 DDEDRM N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000739121063 600063974 /nfs/dbraw/zinc/06/39/74/600063974.db2.gz KZNZQRSBIJRDKV-CABCVRRESA-N -1 0 314.341 1.649 20 30 DDEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000736347540 600066373 /nfs/dbraw/zinc/06/63/73/600066373.db2.gz KVDGBEHCWJSDDZ-CQSZACIVSA-N -1 0 316.361 1.086 20 30 DDEDRM N#C[C@@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCSC1 ZINC000739066394 600067033 /nfs/dbraw/zinc/06/70/33/600067033.db2.gz LEZAVXRLQGMFOY-HNNXBMFYSA-N -1 0 304.371 1.833 20 30 DDEDRM CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-] ZINC000736876020 600190701 /nfs/dbraw/zinc/19/07/01/600190701.db2.gz YGSXKHCIPMVOKJ-IAQYHMDHSA-N -1 0 304.346 1.747 20 30 DDEDRM CCOc1ccc(C[C@H](CNC(=O)[C@@H](C)C#N)C(=O)[O-])cc1 ZINC000737199157 600268312 /nfs/dbraw/zinc/26/83/12/600268312.db2.gz IKNJVGTTXSLBMX-WCQYABFASA-N -1 0 304.346 1.604 20 30 DDEDRM Cc1cc(CN2CCN([C@H](C#N)C(C)C)CC2)oc1C(=O)[O-] ZINC000738383679 600317504 /nfs/dbraw/zinc/31/75/04/600317504.db2.gz CINNEKUSXXECPZ-CQSZACIVSA-N -1 0 305.378 1.952 20 30 DDEDRM COc1ccccc1-c1cc(C(=O)N(CC#N)CC(=O)[O-])no1 ZINC000738114381 600405491 /nfs/dbraw/zinc/40/54/91/600405491.db2.gz WMGXUNYZAYRDDS-UHFFFAOYSA-N -1 0 315.285 1.401 20 30 DDEDRM N#Cc1cccc(OCC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000739133686 600478352 /nfs/dbraw/zinc/47/83/52/600478352.db2.gz MOOXHTYEURHCFN-UHFFFAOYSA-N -1 0 300.270 1.545 20 30 DDEDRM N#CCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000739072583 600493286 /nfs/dbraw/zinc/49/32/86/600493286.db2.gz JTZXXTKRIQBXCQ-NWDGAFQWSA-N -1 0 316.313 1.425 20 30 DDEDRM N#Cc1ccc(CN(C2CC2)S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738431938 600496274 /nfs/dbraw/zinc/49/62/74/600496274.db2.gz CXVGWNYJGGXZEL-UHFFFAOYSA-N -1 0 322.386 1.717 20 30 DDEDRM N#Cc1ccc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC000739101132 600573389 /nfs/dbraw/zinc/57/33/89/600573389.db2.gz BPYOAIDRCUBDOL-CYBMUJFWSA-N -1 0 303.318 1.049 20 30 DDEDRM N#Cc1ccc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC000739101133 600573505 /nfs/dbraw/zinc/57/35/05/600573505.db2.gz BPYOAIDRCUBDOL-ZDUSSCGKSA-N -1 0 303.318 1.049 20 30 DDEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(C(=O)[O-])cc2)C(N)=O)cc1 ZINC000739113824 600648357 /nfs/dbraw/zinc/64/83/57/600648357.db2.gz CFDDTUXDCYILGE-AWEZNQCLSA-N -1 0 324.292 1.640 20 30 DDEDRM Cc1cc(S(=O)(=O)N(CCC#N)CCC#N)ccc1C(=O)[O-] ZINC000318846999 600750603 /nfs/dbraw/zinc/75/06/03/600750603.db2.gz HPFGTTPCJCFGMV-UHFFFAOYSA-N -1 0 321.358 1.511 20 30 DDEDRM C[C@H](NC(=O)NCCSCC(=O)[O-])c1cccc(C#N)c1 ZINC000827664336 600770182 /nfs/dbraw/zinc/77/01/82/600770182.db2.gz GIBFLMVPIPQHPC-JTQLQIEISA-N -1 0 307.375 1.736 20 30 DDEDRM CCc1cccc(CC)c1S(=O)(=O)N(CC#N)CC(=O)[O-] ZINC000737266638 600796177 /nfs/dbraw/zinc/79/61/77/600796177.db2.gz GDJUFTVJBJRVEI-UHFFFAOYSA-N -1 0 310.375 1.410 20 30 DDEDRM C#CCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737492183 600855512 /nfs/dbraw/zinc/85/55/12/600855512.db2.gz CELQBMSTMCOXSI-UHFFFAOYSA-N -1 0 322.386 1.822 20 30 DDEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000739077540 600907474 /nfs/dbraw/zinc/90/74/74/600907474.db2.gz PVWSOIAWLPKYSQ-BLLLJJGKSA-N -1 0 300.314 1.164 20 30 DDEDRM N#Cc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000833075226 600957640 /nfs/dbraw/zinc/95/76/40/600957640.db2.gz OMPFMHHRPOUWRU-AATRIKPKSA-N -1 0 314.341 1.664 20 30 DDEDRM C[C@@H](CS(=O)(=O)Oc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000827571919 601273384 /nfs/dbraw/zinc/27/33/84/601273384.db2.gz WECLFLZYRRJLEX-ZETCQYMHSA-N -1 0 303.723 1.641 20 30 DDEDRM O=C([O-])c1ccc(C=NNC(=S)NCCc2ccccn2)[nH]1 ZINC000749815743 601337226 /nfs/dbraw/zinc/33/72/26/601337226.db2.gz QXKRUAQIDYLGDE-UHFFFAOYSA-N -1 0 317.374 1.149 20 30 DDEDRM COCCN1C(=O)N[C@H](c2cc(C#N)cs2)C(C(=O)[O-])=C1C ZINC000831741149 601376910 /nfs/dbraw/zinc/37/69/10/601376910.db2.gz LOYRQYVNENQRHU-GFCCVEGCSA-N -1 0 321.358 1.691 20 30 DDEDRM N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833072681 601380245 /nfs/dbraw/zinc/38/02/45/601380245.db2.gz XFJWBBQFTZRTDT-NSHDSACASA-N -1 0 303.215 1.975 20 30 DDEDRM COCCN(CCC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831724752 601383182 /nfs/dbraw/zinc/38/31/82/601383182.db2.gz APFXOPZIGOKHPL-UHFFFAOYSA-N -1 0 321.289 1.295 20 30 DDEDRM N#CCOc1ccc(Cl)cc1CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000833068193 601457993 /nfs/dbraw/zinc/45/79/93/601457993.db2.gz SCBLXQDNGMWQKX-ZDUSSCGKSA-N -1 0 324.764 1.918 20 30 DDEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@H]1C#N ZINC000314786428 601476941 /nfs/dbraw/zinc/47/69/41/601476941.db2.gz DAEFJBXUFXIMHI-RYUDHWBXSA-N -1 0 308.359 1.664 20 30 DDEDRM Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)ccc1C(=O)[O-] ZINC000314317527 601477612 /nfs/dbraw/zinc/47/76/12/601477612.db2.gz KLFVDDJOKZZBBP-ZWNOBZJWSA-N -1 0 308.359 1.664 20 30 DDEDRM N#Cc1ccc(N2CC[C@@H](N3CC[C@@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073743 601551087 /nfs/dbraw/zinc/55/10/87/601551087.db2.gz XWGSAVMNAWDCAR-CJNGLKHVSA-N -1 0 317.320 1.162 20 30 DDEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(=O)[O-])C1CC1 ZINC000832842739 601637144 /nfs/dbraw/zinc/63/71/44/601637144.db2.gz HGLCRQQKDPTHGH-UHFFFAOYSA-N -1 0 317.345 1.284 20 30 DDEDRM C[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1C(=O)[O-] ZINC000828360654 601658501 /nfs/dbraw/zinc/65/85/01/601658501.db2.gz AQQAHFMODXFTQW-FZMZJTMJSA-N -1 0 317.345 1.451 20 30 DDEDRM COCCN(CCC(=O)[O-])C(=O)c1c(F)cc(C#N)cc1F ZINC000831725333 601677432 /nfs/dbraw/zinc/67/74/32/601677432.db2.gz UWEQWZMSUVYDTB-UHFFFAOYSA-N -1 0 312.272 1.400 20 30 DDEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832523091 601682690 /nfs/dbraw/zinc/68/26/90/601682690.db2.gz GKUPFGAHHDJBSP-CQSZACIVSA-N -1 0 312.281 1.945 20 30 DDEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738629025 601959297 /nfs/dbraw/zinc/95/92/97/601959297.db2.gz GKGGSPVCUZABRZ-DGCLKSJQSA-N -1 0 316.361 1.475 20 30 DDEDRM CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739405416 601967141 /nfs/dbraw/zinc/96/71/41/601967141.db2.gz WEKFCDWKLVJXCI-STQMWFEESA-N -1 0 310.398 1.069 20 30 DDEDRM CCCNC(=S)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794879530 602069454 /nfs/dbraw/zinc/06/94/54/602069454.db2.gz NGTXRYPCGYPDDQ-JTQLQIEISA-N -1 0 309.391 1.747 20 30 DDEDRM CCN(CCNC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-] ZINC000739423683 602258660 /nfs/dbraw/zinc/25/86/60/602258660.db2.gz NZPWGSHGYYGAOP-NSHDSACASA-N -1 0 305.334 1.442 20 30 DDEDRM C#CCOc1cccc(OC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000737494039 602489004 /nfs/dbraw/zinc/48/90/04/602489004.db2.gz RKMIWGWCEPZHEH-GFCCVEGCSA-N -1 0 303.314 1.994 20 30 DDEDRM COc1cccc([C@H](C#N)NC(=O)CCCNC(=O)[O-])c1OC ZINC000738089926 602519248 /nfs/dbraw/zinc/51/92/48/602519248.db2.gz NXQYDZXIJUQGNP-NSHDSACASA-N -1 0 321.333 1.432 20 30 DDEDRM N#Cc1ccc(CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c(F)c1 ZINC000740313906 602584239 /nfs/dbraw/zinc/58/42/39/602584239.db2.gz APVJBNMRDIHICK-LLVKDONJSA-N -1 0 306.297 1.249 20 30 DDEDRM N#Cc1cc(F)c(NCCCN2CCN(C(=O)[O-])CC2)c(F)c1 ZINC000740311466 602670710 /nfs/dbraw/zinc/67/07/10/602670710.db2.gz QESUGPIHMGGIOD-UHFFFAOYSA-N -1 0 324.331 1.934 20 30 DDEDRM C=CCNC(=O)c1ccc(NC[C@H]2CCCCN2C(=O)[O-])nc1 ZINC000738495780 602730473 /nfs/dbraw/zinc/73/04/73/602730473.db2.gz PLSNLWMVWHZCAB-CYBMUJFWSA-N -1 0 318.377 1.942 20 30 DDEDRM C#CCNC(=O)c1ccc(NCC[C@H]2CCN(C(=O)[O-])C2)nc1 ZINC000738462937 602730985 /nfs/dbraw/zinc/73/09/85/602730985.db2.gz GNYHXPCUTOIXKP-LBPRGKRZSA-N -1 0 316.361 1.247 20 30 DDEDRM CC(C)[C@H](CNC(=O)CNc1ccc(C#N)cc1)NC(=O)[O-] ZINC000738776287 602774658 /nfs/dbraw/zinc/77/46/58/602774658.db2.gz FINOQRDYPJPQSU-ZDUSSCGKSA-N -1 0 304.350 1.379 20 30 DDEDRM Cc1cc(NC(=O)CCC(C)(C)NC(=O)[O-])n(CCC#N)n1 ZINC000740083440 602797360 /nfs/dbraw/zinc/79/73/60/602797360.db2.gz AOFZDXKLOJYUTO-UHFFFAOYSA-N -1 0 307.354 1.870 20 30 DDEDRM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739174543 602798723 /nfs/dbraw/zinc/79/87/23/602798723.db2.gz HXMOCXYTJKRVRU-FOCJUVANSA-N -1 0 324.425 1.407 20 30 DDEDRM COc1cccc([C@@H](C#N)NC(=O)C[C@H](C)NC(=O)[O-])c1OC ZINC000829537569 602862115 /nfs/dbraw/zinc/86/21/15/602862115.db2.gz QXJDXCMDWSCOMR-GXSJLCMTSA-N -1 0 321.333 1.431 20 30 DDEDRM O=C([O-])N1CCCC[C@@H](NC(=O)NCC#Cc2ccccc2)C1 ZINC000740405070 602886844 /nfs/dbraw/zinc/88/68/44/602886844.db2.gz QGDWHSQSKKTPPY-OAHLLOKOSA-N -1 0 315.373 1.870 20 30 DDEDRM C#CCOc1ccc(C(=O)NCC2CCN(C(=O)[O-])CC2)cc1 ZINC000738467587 603187501 /nfs/dbraw/zinc/18/75/01/603187501.db2.gz OVBVWLXBYZFAKJ-UHFFFAOYSA-N -1 0 316.357 1.818 20 30 DDEDRM C=CCNC(=O)c1ccc(N2CCN(C(=O)[O-])[C@@H](C)C2)nc1 ZINC000823510768 603194004 /nfs/dbraw/zinc/19/40/04/603194004.db2.gz JEEVXVAVDPUHRZ-NSHDSACASA-N -1 0 304.350 1.186 20 30 DDEDRM C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739128547 603325386 /nfs/dbraw/zinc/32/53/86/603325386.db2.gz WJGRXGWIOYGYOL-WFASDCNBSA-N -1 0 315.373 1.995 20 30 DDEDRM N#C[C@H]1CN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000740306455 603327076 /nfs/dbraw/zinc/32/70/76/603327076.db2.gz GZUSIQBRTCJAKU-LBPRGKRZSA-N -1 0 304.306 1.210 20 30 DDEDRM N#CCN(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000740309275 603404594 /nfs/dbraw/zinc/40/45/94/603404594.db2.gz ZAXQYNBGYUAKHQ-CQSZACIVSA-N -1 0 317.345 1.702 20 30 DDEDRM CC(C)[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)NC(=O)[O-] ZINC000739052830 603415449 /nfs/dbraw/zinc/41/54/49/603415449.db2.gz FLQOTMICUFLTMQ-AAEUAGOBSA-N -1 0 319.361 1.734 20 30 DDEDRM Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)NC(=O)[O-] ZINC000830175737 603472490 /nfs/dbraw/zinc/47/24/90/603472490.db2.gz GQPZYVCELKSEHO-UHFFFAOYSA-N -1 0 311.363 1.191 20 30 DDEDRM C#Cc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cn1 ZINC000823466940 603482811 /nfs/dbraw/zinc/48/28/11/603482811.db2.gz 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C#CCCOc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cc1 ZINC000835061828 707165153 /nfs/dbraw/zinc/16/51/53/707165153.db2.gz PJHTYQXCEGAGJM-OAHLLOKOSA-N -1 0 314.341 1.174 20 30 DDEDRM C=CCC1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCCC1 ZINC000835285780 707214010 /nfs/dbraw/zinc/21/40/10/707214010.db2.gz JIEYEJSWBSSKCI-GFCCVEGCSA-N -1 0 301.408 1.748 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000835325317 707223659 /nfs/dbraw/zinc/22/36/59/707223659.db2.gz XZTKYJGYHDNLTO-KGLIPLIRSA-N -1 0 309.387 1.532 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1C ZINC000835346454 707228439 /nfs/dbraw/zinc/22/84/39/707228439.db2.gz WLMVMBDPELPARW-CABCVRRESA-N -1 0 323.414 1.841 20 30 DDEDRM C=CCOc1ccc(CC(=O)[N-]S(=O)(=O)C2CCC2)cc1 ZINC000835355533 707230461 /nfs/dbraw/zinc/23/04/61/707230461.db2.gz CEPFGTCYEIBRLQ-UHFFFAOYSA-N -1 0 309.387 1.792 20 30 DDEDRM C=CCCn1cc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)nn1 ZINC000871883365 707231089 /nfs/dbraw/zinc/23/10/89/707231089.db2.gz 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ZINC000909158486 712949490 /nfs/dbraw/zinc/94/94/90/712949490.db2.gz UVJWYFAUPQUUPP-ZFWWWQNUSA-N -1 0 320.389 1.823 20 30 DDEDRM C=CCOC[C@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000836751280 707510001 /nfs/dbraw/zinc/51/00/01/707510001.db2.gz XATOWTLAUSBVTQ-KBPBESRZSA-N -1 0 318.329 1.276 20 30 DDEDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccncc3C#N)C2)cn1 ZINC000873071116 707719153 /nfs/dbraw/zinc/71/91/53/707719153.db2.gz WRHYGYHPYPPLNQ-NWDGAFQWSA-N -1 0 311.345 1.381 20 30 DDEDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000882686374 707749002 /nfs/dbraw/zinc/74/90/02/707749002.db2.gz FQWRXANUICCOMB-UHFFFAOYSA-N -1 0 320.374 1.664 20 30 DDEDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(OC)c(C#N)c1 ZINC000882769801 707785833 /nfs/dbraw/zinc/78/58/33/707785833.db2.gz MUQWBBFUAMHLAG-UHFFFAOYSA-N -1 0 320.374 1.664 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(F)c2ncccc2c1 ZINC000873497818 707875589 /nfs/dbraw/zinc/87/55/89/707875589.db2.gz PDVNDMHZAUBTJE-LBPRGKRZSA-N -1 0 315.304 1.459 20 30 DDEDRM C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCCCO1 ZINC000838781496 707976893 /nfs/dbraw/zinc/97/68/93/707976893.db2.gz KZKODHNLSBFMSL-HNNXBMFYSA-N -1 0 322.386 1.463 20 30 DDEDRM CC(=NNC(=S)NC[C@H]1CCCO1)c1cncc(C(=O)[O-])c1 ZINC000884385301 708273801 /nfs/dbraw/zinc/27/38/01/708273801.db2.gz JDTQFBSWIFXRGM-GFCCVEGCSA-N -1 0 322.390 1.147 20 30 DDEDRM CSc1[n-]c(=O)c(C(=O)N2CCCC(=O)[C@@H]2C)cc1C#N ZINC000885034589 708450231 /nfs/dbraw/zinc/45/02/31/708450231.db2.gz WJGFRMVQVWMZDS-QMMMGPOBSA-N -1 0 305.359 1.574 20 30 DDEDRM COC(=O)CCN(CC(=O)[O-])c1cccc(C(F)F)c1C#N ZINC000886917870 708894116 /nfs/dbraw/zinc/89/41/16/708894116.db2.gz MBIHCWRXFFMPEO-UHFFFAOYSA-N -1 0 312.272 1.950 20 30 DDEDRM Cn1nc(C(=O)[O-])cc1/C=C/C(=O)c1cnn(C2CCC2)c1 ZINC000899400753 709074988 /nfs/dbraw/zinc/07/49/88/709074988.db2.gz NMXQPDXZUZMJQI-AATRIKPKSA-N -1 0 300.318 1.936 20 30 DDEDRM C=CCN(Cc1ccccc1F)C(=O)N=c1nn[n-]n1CC ZINC000888341861 709282929 /nfs/dbraw/zinc/28/29/29/709282929.db2.gz 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ZINC000900355566 709552109 /nfs/dbraw/zinc/55/21/09/709552109.db2.gz PQLFBJOMKCVDOV-MRXNPFEDSA-N -1 0 302.330 1.765 20 30 DDEDRM C=CCC[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc21)C(=O)[O-] ZINC000909713749 709593154 /nfs/dbraw/zinc/59/31/54/709593154.db2.gz RPCUIFKTJFFHKF-TZMCWYRMSA-N -1 0 302.374 1.973 20 30 DDEDRM C=CCOC[C@H](NC(=O)[C@@H](O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000909770463 709610695 /nfs/dbraw/zinc/61/06/95/709610695.db2.gz JOLGYTOWZZRSNZ-RYUDHWBXSA-N -1 0 313.737 1.145 20 30 DDEDRM C=CCOC[C@@H](NC(=O)C[C@@](C)(O)c1ccccc1)C(=O)[O-] ZINC000909771534 709611084 /nfs/dbraw/zinc/61/10/84/709611084.db2.gz NWFALWIJIPGQJP-CZUORRHYSA-N -1 0 307.346 1.056 20 30 DDEDRM C=CCOC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)CO2)C(=O)[O-] ZINC000909771599 709611230 /nfs/dbraw/zinc/61/12/30/709611230.db2.gz OWWNYSJIMDUCQU-CYBMUJFWSA-N -1 0 319.357 1.742 20 30 DDEDRM C=CCOC[C@H](NC(=O)CNc1cccc(Cl)c1)C(=O)[O-] ZINC000909771434 709611392 /nfs/dbraw/zinc/61/13/92/709611392.db2.gz PKFUZCIBJGJSPN-LBPRGKRZSA-N -1 0 312.753 1.524 20 30 DDEDRM C=CCOC[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000909772821 709612374 /nfs/dbraw/zinc/61/23/74/709612374.db2.gz WDRJZGTWKRJUFM-CQSZACIVSA-N -1 0 321.348 1.920 20 30 DDEDRM C#CCN1CCC[C@H]1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909835139 709645507 /nfs/dbraw/zinc/64/55/07/709645507.db2.gz DMAVGNUFAUELQK-DOMZBBRYSA-N -1 0 300.358 1.911 20 30 DDEDRM N#C[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000900633902 709687751 /nfs/dbraw/zinc/68/77/51/709687751.db2.gz VQGSQZMSCGDRDW-VIFPVBQESA-N -1 0 314.370 2.000 20 30 DDEDRM C#CC[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC000910046648 709751024 /nfs/dbraw/zinc/75/10/24/709751024.db2.gz TYQCIGMZYXARFW-AEGPPILISA-N -1 0 301.342 1.782 20 30 DDEDRM C#CC[C@H](NC(=O)Cc1nc(-c2ccco2)c(C)s1)C(=O)[O-] ZINC000910050131 709753878 /nfs/dbraw/zinc/75/38/78/709753878.db2.gz FUDDVWDWSXEFKG-JTQLQIEISA-N -1 0 318.354 1.847 20 30 DDEDRM C#CC[C@@H](NC(=O)c1cc(C(F)(F)F)c[nH]c1=O)C(=O)[O-] ZINC000910052088 709754804 /nfs/dbraw/zinc/75/48/04/709754804.db2.gz NTGJACYQLZRPIR-MRVPVSSYSA-N -1 0 302.208 1.012 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)C(=O)[O-] ZINC000910271254 709854917 /nfs/dbraw/zinc/85/49/17/709854917.db2.gz NKVQODLTVXINFY-WRWORJQWSA-N -1 0 311.769 1.860 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)C(=O)[O-] ZINC000910271181 709855039 /nfs/dbraw/zinc/85/50/39/709855039.db2.gz NKVQODLTVXINFY-CPCISQLKSA-N -1 0 311.769 1.860 20 30 DDEDRM C=C(C)C[C@H](NC(=O)c1ccnc(N2CCCCC2)n1)C(=O)[O-] ZINC000910291524 709870514 /nfs/dbraw/zinc/87/05/14/709870514.db2.gz JKOYYLJWGWEHDK-ZDUSSCGKSA-N -1 0 318.377 1.616 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)c1nnn(CC2CCCC2)c1C)C(=O)[O-] ZINC000910292363 709871264 /nfs/dbraw/zinc/87/12/64/709871264.db2.gz PJUJDEHWKILLTL-CYBMUJFWSA-N -1 0 320.393 1.926 20 30 DDEDRM Cc1nnc([S-])n(N=Cc2ccc3c(c2)C[C@H](C)O3)c1=O ZINC000901132921 709939256 /nfs/dbraw/zinc/93/92/56/709939256.db2.gz GUJXVOKOCNKNOE-QMMMGPOBSA-N -1 0 302.359 1.441 20 30 DDEDRM COCCN(CC(=O)[O-])C(=O)Cc1c(C)cc(C#N)cc1C ZINC000901428018 710036870 /nfs/dbraw/zinc/03/68/70/710036870.db2.gz TUXILYFMJSLQBB-UHFFFAOYSA-N -1 0 304.346 1.277 20 30 DDEDRM C#CCO[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC000910679203 710044798 /nfs/dbraw/zinc/04/47/98/710044798.db2.gz CCDKHIGKYCEDDB-DTWKUNHWSA-N -1 0 308.359 1.309 20 30 DDEDRM C=CCCC[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-] ZINC000910911809 710116317 /nfs/dbraw/zinc/11/63/17/710116317.db2.gz IQAFHBYGURHYKV-GFCCVEGCSA-N -1 0 309.366 1.341 20 30 DDEDRM C=CCCC[C@@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)C(=O)[O-] ZINC000910917608 710118676 /nfs/dbraw/zinc/11/86/76/710118676.db2.gz RXNSSRMTRFFXQY-JLCFBVMHSA-N -1 0 323.414 1.892 20 30 DDEDRM C=CCCC[C@H](NC(=O)c1sccc1-n1ccnn1)C(=O)[O-] ZINC000910917822 710118708 /nfs/dbraw/zinc/11/87/08/710118708.db2.gz VWZAXDRBPIQVDC-JTQLQIEISA-N -1 0 320.374 1.868 20 30 DDEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)C(=O)[O-] ZINC000910916903 710118720 /nfs/dbraw/zinc/11/87/20/710118720.db2.gz 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1.829 20 30 DDEDRM C=CCC[C@H](NC(=O)c1ccccc1[S@@](=O)CC)C(=O)[O-] ZINC000262939432 222299428 /nfs/dbraw/zinc/29/94/28/222299428.db2.gz PTFKZFOVFBZLHK-QKVFXAPYSA-N -1 0 309.387 1.963 20 30 DDEDRM C=CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)[O-] ZINC000263001442 222301639 /nfs/dbraw/zinc/30/16/39/222301639.db2.gz WJCDDZSYEZHQOJ-VHSXEESVSA-N -1 0 310.375 1.402 20 30 DDEDRM C=CCOC[C@@H](NC(=O)c1sccc1SC)C(=O)[O-] ZINC000263155826 222305024 /nfs/dbraw/zinc/30/50/24/222305024.db2.gz XRPHLRDXPHKHKS-MRVPVSSYSA-N -1 0 301.389 1.856 20 30 DDEDRM C=CCOC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000263152819 222305431 /nfs/dbraw/zinc/30/54/31/222305431.db2.gz XLZOKKBHDYLOTC-AWEZNQCLSA-N -1 0 302.330 1.482 20 30 DDEDRM Cc1cc(C)c2c(c1)OC/C(=C\c1cn(CC(=O)[O-])nn1)C2=O ZINC000270459120 222441528 /nfs/dbraw/zinc/44/15/28/222441528.db2.gz WRSRMONSBASGSY-VZUCSPMQSA-N -1 0 313.313 1.638 20 30 DDEDRM CSc1[n-]c(=O)c(C(=O)N2CCO[C@H]3CCC[C@H]32)cc1C#N ZINC000408251228 418794690 /nfs/dbraw/zinc/79/46/90/418794690.db2.gz XUPGWWSFCUHNLX-NEPJUHHUSA-N -1 0 319.386 1.774 20 30 DDEDRM C=C[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408503705 418805925 /nfs/dbraw/zinc/80/59/25/418805925.db2.gz WMXYMNGIMYADCL-XHJNMGKDSA-N -1 0 313.419 1.602 20 30 DDEDRM COCCn1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000435491947 229391288 /nfs/dbraw/zinc/39/12/88/229391288.db2.gz VJJWSRKNLOWMBJ-UHFFFAOYSA-N -1 0 312.376 1.263 20 30 DDEDRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccc(C#N)nc2)C1=O ZINC000416438720 420371826 /nfs/dbraw/zinc/37/18/26/420371826.db2.gz AZRCUZVUHGDEOP-QWHCGFSZSA-N -1 0 302.334 1.075 20 30 DDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2cccc(F)c2)CCC1 ZINC000492626794 420611053 /nfs/dbraw/zinc/61/10/53/420611053.db2.gz ZOIUGFUFNFIVEF-AATRIKPKSA-N -1 0 322.361 1.979 20 30 DDEDRM C=CCOC[C@@H](NC(=O)/C=C/c1ccccc1OC)C(=O)[O-] ZINC000493148760 420770214 /nfs/dbraw/zinc/77/02/14/420770214.db2.gz GMABHCKMRMMVTE-MMQHEFTJSA-N -1 0 305.330 1.480 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)C(=O)[O-] ZINC000455896695 421074829 /nfs/dbraw/zinc/07/48/29/421074829.db2.gz GZLROBJKKFHSAL-WCQYABFASA-N -1 0 309.387 1.939 20 30 DDEDRM COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CCC(=O)[O-] ZINC000547931961 421379226 /nfs/dbraw/zinc/37/92/26/421379226.db2.gz PMWUEWGZULFXRP-VIFPVBQESA-N -1 0 312.347 1.098 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c(F)c1 ZINC000548532531 421448185 /nfs/dbraw/zinc/44/81/85/421448185.db2.gz ZTJVLAVLDOIMHA-MRVPVSSYSA-N -1 0 322.264 1.084 20 30 DDEDRM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000528911280 421524450 /nfs/dbraw/zinc/52/44/50/421524450.db2.gz WHCYHVIYEGGTGR-HERUPUMHSA-N -1 0 304.371 1.655 20 30 DDEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1 ZINC000566550852 421607066 /nfs/dbraw/zinc/60/70/66/421607066.db2.gz SUJFLMIDDGAQIU-ZDUSSCGKSA-N -1 0 319.423 1.532 20 30 DDEDRM C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000568349318 421620068 /nfs/dbraw/zinc/62/00/68/421620068.db2.gz DUYJQGLOOZYFOR-MJBXVCDLSA-N -1 0 310.394 1.910 20 30 DDEDRM C=CCOc1cccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000569909514 421628643 /nfs/dbraw/zinc/62/86/43/421628643.db2.gz JESQTIOMOCDRHD-ZIAGYGMSSA-N -1 0 320.345 1.957 20 30 DDEDRM CN1c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2OCC1=O ZINC000532932100 421667974 /nfs/dbraw/zinc/66/79/74/421667974.db2.gz BGLWKXQYJBMTEW-UHFFFAOYSA-N -1 0 323.308 1.871 20 30 DDEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000555530577 421681350 /nfs/dbraw/zinc/68/13/50/421681350.db2.gz QRFZUAUWKVJZIV-JTQLQIEISA-N -1 0 323.374 1.226 20 30 DDEDRM C=CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000571043475 421683619 /nfs/dbraw/zinc/68/36/19/421683619.db2.gz FHURUYPNGWNBHN-MRVPVSSYSA-N -1 0 314.319 1.536 20 30 DDEDRM C=CCOC[C@H](NC(=O)[C@@H](C)OCc1ccc(C)cc1)C(=O)[O-] ZINC000630186217 421946176 /nfs/dbraw/zinc/94/61/76/421946176.db2.gz LTYUCWZGVKRCDX-HIFRSBDPSA-N -1 0 321.373 1.672 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)Cc1c(C)nn(CC2CC2)c1C)C(=O)[O-] ZINC000630321605 422023485 /nfs/dbraw/zinc/02/34/85/422023485.db2.gz KIJMPPSGVMBZNO-OAHLLOKOSA-N -1 0 319.405 1.988 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(=O)[O-] ZINC000630323162 422023915 /nfs/dbraw/zinc/02/39/15/422023915.db2.gz ZUUQVISZGALMNS-WCQYABFASA-N -1 0 307.321 1.912 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)CCNC(=O)C1CCCCC1)C(=O)[O-] ZINC000630320096 422024202 /nfs/dbraw/zinc/02/42/02/422024202.db2.gz OXXAYECDVZDRJO-CYBMUJFWSA-N -1 0 310.394 1.609 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-] ZINC000630327161 422025459 /nfs/dbraw/zinc/02/54/59/422025459.db2.gz XOYSWHWGKZHJOY-IINYFYTJSA-N -1 0 307.394 1.751 20 30 DDEDRM CCC[C@H](CCCCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-] ZINC000573548810 421978194 /nfs/dbraw/zinc/97/81/94/421978194.db2.gz DGODHPHYICFCHM-GFCCVEGCSA-N -1 0 316.423 1.881 20 30 DDEDRM C=C(C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000630490250 422135362 /nfs/dbraw/zinc/13/53/62/422135362.db2.gz PWLFQVQXWUEEMX-KBPBESRZSA-N -1 0 309.410 1.722 20 30 DDEDRM CC#CCNCc1cn(Cc2nc(=O)c3sccc3[n-]2)nn1 ZINC000640812645 423206564 /nfs/dbraw/zinc/20/65/64/423206564.db2.gz OCGNAMOBWULTKI-UHFFFAOYSA-N -1 0 314.374 1.150 20 30 DDEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171187 263248428 /nfs/dbraw/zinc/24/84/28/263248428.db2.gz OTFLDMDRYLBAPI-YPMHNXCESA-N -1 0 302.330 1.649 20 30 DDEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171188 263248760 /nfs/dbraw/zinc/24/87/60/263248760.db2.gz OTFLDMDRYLBAPI-AAEUAGOBSA-N -1 0 302.330 1.649 20 30 DDEDRM C=CCOc1cccc(NS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000645957338 423264112 /nfs/dbraw/zinc/26/41/12/423264112.db2.gz XRTBASDAMVWILS-UHFFFAOYSA-N -1 0 314.363 1.315 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665311522 424779472 /nfs/dbraw/zinc/77/94/72/424779472.db2.gz QJJOMQFCJKCFQL-RDBSUJKOSA-N -1 0 310.394 1.768 20 30 DDEDRM CCC[C@@H](CCO)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000359546179 266066600 /nfs/dbraw/zinc/06/66/00/266066600.db2.gz TZFUOONLGHHBGB-JTQLQIEISA-N -1 0 323.418 1.909 20 30 DDEDRM C[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)n1cnc(C#N)n1 ZINC000345617901 267136203 /nfs/dbraw/zinc/13/62/03/267136203.db2.gz FSVYIUYXPPMZFK-ZCFIWIBFSA-N -1 0 309.688 1.848 20 30 DDEDRM N#Cc1ccc2c(c1)N(C(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC000355260431 268221494 /nfs/dbraw/zinc/22/14/94/268221494.db2.gz YGFYLILPKDJJJQ-UHFFFAOYSA-N -1 0 301.331 1.063 20 30 DDEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000123330768 281169339 /nfs/dbraw/zinc/16/93/39/281169339.db2.gz DCDFQRIDDYJFKZ-UHFFFAOYSA-N -1 0 302.315 1.839 20 30 DDEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000180142928 303212192 /nfs/dbraw/zinc/21/21/92/303212192.db2.gz SCHQAZBQQIKRTA-UHFFFAOYSA-N -1 0 314.273 1.684 20 30 DDEDRM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000562644010 303881904 /nfs/dbraw/zinc/88/19/04/303881904.db2.gz WDHULJLFVSGVMY-SFYZADRCSA-N -1 0 316.766 1.599 20 30 DDEDRM Cc1cc(C#N)cnc1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000577282625 308376731 /nfs/dbraw/zinc/37/67/31/308376731.db2.gz PSEWXPNSYWPPQO-UHFFFAOYSA-N -1 0 312.333 1.105 20 30 DDEDRM C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000422684405 533709198 /nfs/dbraw/zinc/70/91/98/533709198.db2.gz GRKAFABAPOMUEE-QMMMGPOBSA-N -1 0 323.736 1.329 20 30 DDEDRM C=CCc1ccc(OCC(=O)NC2(CC(=O)[O-])CC2)c(OC)c1 ZINC000517948242 331979790 /nfs/dbraw/zinc/97/97/90/331979790.db2.gz TUWIKESPPGUZCI-UHFFFAOYSA-N -1 0 319.357 1.926 20 30 DDEDRM C=C(C)CS(=O)(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000564927774 332018332 /nfs/dbraw/zinc/01/83/32/332018332.db2.gz XGACRMSPFOUNMC-UHFFFAOYSA-N -1 0 313.379 1.124 20 30 DDEDRM C=CCOc1ccccc1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000559574639 332272482 /nfs/dbraw/zinc/27/24/82/332272482.db2.gz UVDINKYLCOVPBQ-INIZCTEOSA-N -1 0 320.345 1.294 20 30 DDEDRM C=CCC[C@@H](NC(=O)COCc1cccc(OC)c1)C(=O)[O-] ZINC000570156582 332718958 /nfs/dbraw/zinc/71/89/58/332718958.db2.gz KJIQWNXRYPHYOA-CQSZACIVSA-N -1 0 307.346 1.747 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000570412614 332752261 /nfs/dbraw/zinc/75/22/61/332752261.db2.gz CWAKPYFFTFIHTP-SYQHCUMBSA-N -1 0 310.394 1.862 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000562997521 333027057 /nfs/dbraw/zinc/02/70/57/333027057.db2.gz ORLMGGCRYJESKS-FZMZJTMJSA-N -1 0 324.402 1.379 20 30 DDEDRM COCc1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000179690618 333154543 /nfs/dbraw/zinc/15/45/43/333154543.db2.gz OQQATDWBCUGKRV-UHFFFAOYSA-N -1 0 319.365 1.920 20 30 DDEDRM C=C(C)CO[N-]C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C ZINC000497272545 333229939 /nfs/dbraw/zinc/22/99/39/333229939.db2.gz RKGAVNDOQYMPBR-JTQLQIEISA-N -1 0 316.354 1.067 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000563078262 333342517 /nfs/dbraw/zinc/34/25/17/333342517.db2.gz RLXZROQPTKNHRM-DGAVXFQQSA-N -1 0 310.394 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/nfs/dbraw/zinc/74/80/09/485748009.db2.gz ZVFZQCGZMCBGSK-OAHLLOKOSA-N -1 0 305.374 1.947 20 30 DDEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nnc2n1CCCCC2 ZINC000685784725 486594250 /nfs/dbraw/zinc/59/42/50/486594250.db2.gz BNGPDKGJEIFFDR-GFCCVEGCSA-N -1 0 306.329 1.761 20 30 DDEDRM N#C[C@]1(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CC12CCCC2 ZINC000571090072 501030673 /nfs/dbraw/zinc/03/06/73/501030673.db2.gz NJKNZXJTEDKEBP-INIZCTEOSA-N -1 0 315.377 1.690 20 30 DDEDRM Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000422659042 534256059 /nfs/dbraw/zinc/25/60/59/534256059.db2.gz WRYYRPLDBRMFQZ-ZDUSSCGKSA-N -1 0 317.345 1.421 20 30 DDEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)/C=C/C1CCC1 ZINC000492060709 534814685 /nfs/dbraw/zinc/81/46/85/534814685.db2.gz XKAJKFDHYYKIFZ-CMDGGOBGSA-N -1 0 304.371 1.861 20 30 DDEDRM CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cc(C)ccc1OC ZINC000493718553 526384712 /nfs/dbraw/zinc/38/47/12/526384712.db2.gz GJYOQCJGXPDVEA-VQHVLOKHSA-N -1 0 307.371 1.486 20 30 DDEDRM C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CC(=O)[O-])cc2C1=O ZINC000345228743 526410728 /nfs/dbraw/zinc/41/07/28/526410728.db2.gz XIGRPDAASKYVMS-SECBINFHSA-N -1 0 316.313 1.062 20 30 DDEDRM C=C(C)CC[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F ZINC000451802894 526454884 /nfs/dbraw/zinc/45/48/84/526454884.db2.gz OBUIJVYELYULAX-SECBINFHSA-N -1 0 317.329 1.756 20 30 DDEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2noc(C)n2)c1 ZINC000351509564 526659380 /nfs/dbraw/zinc/65/93/80/526659380.db2.gz BUSATGGTBPMGBM-UHFFFAOYSA-N -1 0 322.346 1.095 20 30 DDEDRM C#CCN(Cc1ccccc1)S(=O)(=O)[N-]CC(F)(F)F ZINC000491073215 526911103 /nfs/dbraw/zinc/91/11/03/526911103.db2.gz YCZMUFMVAHAOIG-UHFFFAOYSA-N -1 0 306.309 1.519 20 30 DDEDRM C=CCSc1ccccc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447636894 527009864 /nfs/dbraw/zinc/00/98/64/527009864.db2.gz MBKSIOIZNQEZOG-UHFFFAOYSA-N -1 0 305.359 1.614 20 30 DDEDRM CCC(=O)N[C@@H]1CCCN(C([O-])=Nc2c(C)ccn(C)c2=O)C1 ZINC000330978908 528405424 /nfs/dbraw/zinc/40/54/24/528405424.db2.gz IMHBSLCUOFKUIE-GFCCVEGCSA-N -1 0 320.393 1.230 20 30 DDEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2c[nH]c3ncccc23)o1 ZINC000737467882 599129387 /nfs/dbraw/zinc/12/93/87/599129387.db2.gz USOKPRQKSQISFS-UHFFFAOYSA-N -1 0 309.293 1.485 20 30 DDEDRM Cc1cc(N(CCC#N)C(=O)CN(C)CC(=O)[O-])ccc1Cl ZINC000818829718 597016812 /nfs/dbraw/zinc/01/68/12/597016812.db2.gz MPURXQHPKAFKFV-UHFFFAOYSA-N -1 0 323.780 1.912 20 30 DDEDRM CC(C)C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000817858559 597134306 /nfs/dbraw/zinc/13/43/06/597134306.db2.gz JBQKPLNJQHQUOE-GFCCVEGCSA-N -1 0 303.314 1.382 20 30 DDEDRM N#CCOc1cccc(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000821324781 597454947 /nfs/dbraw/zinc/45/49/47/597454947.db2.gz NLHWUEXXGQWXEQ-AWEZNQCLSA-N -1 0 316.357 1.845 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCC(F)F)n1 ZINC000819856172 597605665 /nfs/dbraw/zinc/60/56/65/597605665.db2.gz HIAOUCXDWYYCSF-ZDUSSCGKSA-N -1 0 313.260 1.669 20 30 DDEDRM COC(=O)c1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])s1 ZINC000820685426 597622897 /nfs/dbraw/zinc/62/28/97/597622897.db2.gz SQYLVLSMHQQVQU-CYBMUJFWSA-N -1 0 311.315 1.582 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOc1ccc(F)cc1 ZINC000819835496 597639560 /nfs/dbraw/zinc/63/95/60/597639560.db2.gz VQLQEEXJANVRMY-OAHLLOKOSA-N -1 0 308.309 1.715 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC000819846895 597641217 /nfs/dbraw/zinc/64/12/17/597641217.db2.gz HYSOBQAXPIVOPQ-HNNXBMFYSA-N -1 0 313.317 1.092 20 30 DDEDRM CC(C)n1ncc2c1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2 ZINC000820066962 597648750 /nfs/dbraw/zinc/64/87/50/597648750.db2.gz XLCXDRWEBNFUAB-WBMJQRKESA-N -1 0 318.377 1.442 20 30 DDEDRM CC[C@@H](C)Oc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1 ZINC000820266843 597662687 /nfs/dbraw/zinc/66/26/87/597662687.db2.gz VEIORCROYRHWKV-BZNIZROVSA-N -1 0 319.361 1.880 20 30 DDEDRM CC(=NNCCC(=O)[O-])c1c(F)cccc1N1CCOCC1 ZINC000819726189 597743232 /nfs/dbraw/zinc/74/32/32/597743232.db2.gz AUKHJJNJWPIBHL-UHFFFAOYSA-N -1 0 309.341 1.451 20 30 DDEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCC(=O)[O-] ZINC000820927795 598165177 /nfs/dbraw/zinc/16/51/77/598165177.db2.gz KJDMOWRRRAHREZ-UHFFFAOYSA-N -1 0 319.361 1.579 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000819833152 598222227 /nfs/dbraw/zinc/22/22/27/598222227.db2.gz FFIVNLOOSQKEOL-MLGOLLRUSA-N -1 0 319.361 1.537 20 30 DDEDRM CC(C)n1ncc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cnc21 ZINC000820066804 598222914 /nfs/dbraw/zinc/22/29/14/598222914.db2.gz GEEMOHHBMBGXNJ-OAHLLOKOSA-N -1 0 315.333 1.955 20 30 DDEDRM CN(CCOc1ccc(F)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820597625 598222998 /nfs/dbraw/zinc/22/29/98/598222998.db2.gz ZSYIRGKQHQQTQA-OAHLLOKOSA-N -1 0 308.309 1.667 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000819822720 598223125 /nfs/dbraw/zinc/22/31/25/598223125.db2.gz PRLFVXRYKPZTNP-CQSZACIVSA-N -1 0 303.274 1.488 20 30 DDEDRM CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000819796834 598223308 /nfs/dbraw/zinc/22/33/08/598223308.db2.gz LGIZDOAWUMDEFJ-QLJPJBMISA-N -1 0 317.345 1.827 20 30 DDEDRM Cc1cc(C)cc(OCCNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820968262 598225128 /nfs/dbraw/zinc/22/51/28/598225128.db2.gz YRXFOFZMVWFRBF-INIZCTEOSA-N -1 0 304.346 1.803 20 30 DDEDRM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126043335 598226378 /nfs/dbraw/zinc/22/63/78/598226378.db2.gz PRPANTFDJIRVKM-UHFFFAOYSA-N -1 0 302.739 1.307 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000819823612 598227820 /nfs/dbraw/zinc/22/78/20/598227820.db2.gz VGOLKZJCNQBZEB-OTDPEBBPSA-N -1 0 308.284 1.941 20 30 DDEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2nccn2C)o1 ZINC000735938607 598437691 /nfs/dbraw/zinc/43/76/91/598437691.db2.gz CCISJSVWMJQHKL-UHFFFAOYSA-N -1 0 301.314 1.158 20 30 DDEDRM C#CCN(CC)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736076564 599728867 /nfs/dbraw/zinc/72/88/67/599728867.db2.gz IZSADMDEKMAYQH-UHFFFAOYSA-N -1 0 301.751 1.682 20 30 DDEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738313575 599777279 /nfs/dbraw/zinc/77/72/79/599777279.db2.gz NRCHJAOEKYDXPX-UHFFFAOYSA-N -1 0 307.283 1.926 20 30 DDEDRM C=CCOCC(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736109565 599870725 /nfs/dbraw/zinc/87/07/25/599870725.db2.gz PNIAKDNDSRXUKJ-NSHDSACASA-N -1 0 321.329 1.766 20 30 DDEDRM N#Cc1ccc(SCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000739131624 599912909 /nfs/dbraw/zinc/91/29/09/599912909.db2.gz CCRWBOPAOZOLLP-LBPRGKRZSA-N -1 0 304.371 1.974 20 30 DDEDRM C=C(Br)CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000161500119 600020186 /nfs/dbraw/zinc/02/01/86/600020186.db2.gz FTUAQLZLNNTBBX-UHFFFAOYSA-N -1 0 305.172 1.838 20 30 DDEDRM C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000737689916 600190588 /nfs/dbraw/zinc/19/05/88/600190588.db2.gz VXDYOUOJAQTIPT-JTQLQIEISA-N -1 0 311.297 1.948 20 30 DDEDRM CCC[C@](C)(NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-] ZINC000736953717 600193749 /nfs/dbraw/zinc/19/37/49/600193749.db2.gz 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/nfs/dbraw/zinc/40/67/62/600406762.db2.gz CVLFMJVAWBWGGF-UHFFFAOYSA-N -1 0 311.297 1.924 20 30 DDEDRM CC1=C(C(=O)C(=O)[O-])[C@H](c2ccccc2Cl)NC(=S)N1 ZINC000736747037 600505869 /nfs/dbraw/zinc/50/58/69/600505869.db2.gz QUNONBRABVLURQ-JTQLQIEISA-N -1 0 310.762 1.787 20 30 DDEDRM C=CCNC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000736106738 600515382 /nfs/dbraw/zinc/51/53/82/600515382.db2.gz JXGGZLRWZDLWRY-UHFFFAOYSA-N -1 0 306.318 1.171 20 30 DDEDRM C=C(Br)CNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000161495036 600529534 /nfs/dbraw/zinc/52/95/34/600529534.db2.gz DDCBCJZIRIZISK-UHFFFAOYSA-N -1 0 303.112 1.686 20 30 DDEDRM C=CCOc1ccccc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736114509 600533346 /nfs/dbraw/zinc/53/33/46/600533346.db2.gz VEPYGVSPFXCQJB-UHFFFAOYSA-N -1 0 302.290 1.249 20 30 DDEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000739105977 600562905 /nfs/dbraw/zinc/56/29/05/600562905.db2.gz PDMGABUQEFBYHZ-OAHLLOKOSA-N -1 0 313.357 1.238 20 30 DDEDRM O=C([O-])COc1cccc(C/N=C/c2ccc(O)c(O)c2O)c1 ZINC000739833696 600567578 /nfs/dbraw/zinc/56/75/78/600567578.db2.gz YJELOPBLTGVMHF-CAOOACKPSA-N -1 0 317.297 1.886 20 30 DDEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000739104991 600573889 /nfs/dbraw/zinc/57/38/89/600573889.db2.gz ILMJFRCIPKHQCZ-RYUDHWBXSA-N -1 0 314.263 1.947 20 30 DDEDRM N#CCSCC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739093132 600580439 /nfs/dbraw/zinc/58/04/39/600580439.db2.gz ZWBSZKIXOVFLSJ-NSHDSACASA-N -1 0 308.359 1.008 20 30 DDEDRM N#Cc1ccc([C@@H](Nc2ccc(CC(N)=O)cc2)C(=O)[O-])cc1 ZINC000739107403 600594195 /nfs/dbraw/zinc/59/41/95/600594195.db2.gz BJLMQPGRVWNIHX-MRXNPFEDSA-N -1 0 309.325 1.824 20 30 DDEDRM C#CCCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736077386 600637475 /nfs/dbraw/zinc/63/74/75/600637475.db2.gz SJPMLECBHYLPPM-SECBINFHSA-N -1 0 305.290 1.233 20 30 DDEDRM N#Cc1ccc(NCC(=O)N2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000739121903 600698962 /nfs/dbraw/zinc/69/89/62/600698962.db2.gz 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1.451 20 30 DDEDRM C#CC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)nc1)C(=O)[O-] ZINC000910053118 709756113 /nfs/dbraw/zinc/75/61/13/709756113.db2.gz CBACINFMXYERGF-CYBMUJFWSA-N -1 0 312.329 1.090 20 30 DDEDRM C#CC[C@H](NC(=O)c1cnn(CC(C)C)c1C(F)F)C(=O)[O-] ZINC000910054011 709756413 /nfs/dbraw/zinc/75/64/13/709756413.db2.gz HJSBIDVTIOMTKH-JTQLQIEISA-N -1 0 313.304 1.683 20 30 DDEDRM C#CC[C@@H](NC(=O)c1cc2cnn(C(C)C)c2nc1C)C(=O)[O-] ZINC000910054153 709756454 /nfs/dbraw/zinc/75/64/54/709756454.db2.gz MJTCWGSWGCNYLH-CYBMUJFWSA-N -1 0 314.345 1.527 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)CCCOc1cccnc1)C(=O)[O-] ZINC000910272818 709856847 /nfs/dbraw/zinc/85/68/47/709856847.db2.gz WOGTWLCKUJDZTC-GFCCVEGCSA-N -1 0 312.753 1.953 20 30 DDEDRM C=C(C)C[C@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000910285507 709865895 /nfs/dbraw/zinc/86/58/95/709865895.db2.gz BARJNQXFINOGGT-BBRMVZONSA-N -1 0 316.401 1.969 20 30 DDEDRM C=C[C@](C)(O)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000910380490 709915891 /nfs/dbraw/zinc/91/58/91/709915891.db2.gz BORLCVYQEQKHGS-INIZCTEOSA-N -1 0 305.330 1.215 20 30 DDEDRM C=C[C@H](CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])c1ccccc1 ZINC000910752994 710064576 /nfs/dbraw/zinc/06/45/76/710064576.db2.gz VYBJMSVAZBMICF-JHJVBQTASA-N -1 0 318.373 1.440 20 30 DDEDRM C=CCCC[C@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-] ZINC000910910898 710116001 /nfs/dbraw/zinc/11/60/01/710116001.db2.gz APNLSWUQRYMNJE-ZDUSSCGKSA-N -1 0 304.346 1.586 20 30 DDEDRM C=CCCC[C@@H](NC(=O)c1cccc(-n2cccn2)n1)C(=O)[O-] ZINC000910911637 710116274 /nfs/dbraw/zinc/11/62/74/710116274.db2.gz FWPSFUATFJHCLO-CYBMUJFWSA-N -1 0 314.345 1.807 20 30 DDEDRM C=CCCC[C@@H](NC(=O)c1cn2nccc2nc1C)C(=O)[O-] ZINC000910916287 710118050 /nfs/dbraw/zinc/11/80/50/710118050.db2.gz GQTPHRIGJCNQEN-GFCCVEGCSA-N -1 0 302.334 1.577 20 30 DDEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)C(=O)[O-] ZINC000910916902 710118518 /nfs/dbraw/zinc/11/85/18/710118518.db2.gz KMOPRDPQIRYDAT-DOMZBBRYSA-N -1 0 321.373 1.872 20 30 DDEDRM CON=Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000902165084 710642979 /nfs/dbraw/zinc/64/29/79/710642979.db2.gz NWYPSDIAEXDXMM-BXUZGUMPSA-N -1 0 304.346 1.850 20 30 DDEDRM COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1C#N ZINC000902180373 710650851 /nfs/dbraw/zinc/65/08/51/710650851.db2.gz RZPPCVOVGFZZGN-GXFFZTMASA-N -1 0 302.330 1.750 20 30 DDEDRM C=CCCO[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC000911625242 710886171 /nfs/dbraw/zinc/88/61/71/710886171.db2.gz OUDVULLZCXCWRG-WBMJQRKESA-N -1 0 306.362 1.869 20 30 DDEDRM O=C(N[C@H]1CCCN(O)C1=O)c1nc(-c2ccccc2)ns1 ZINC000902962032 710976216 /nfs/dbraw/zinc/97/62/16/710976216.db2.gz OOYVJBHAPKGGGM-JTQLQIEISA-N -1 0 318.358 1.315 20 30 DDEDRM CCCCCCCS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC000903030618 711007289 /nfs/dbraw/zinc/00/72/89/711007289.db2.gz SDUWTPIIDOBEOB-CHWSQXEVSA-N -1 0 321.439 1.899 20 30 DDEDRM C=CCCS(=O)(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903515281 711162788 /nfs/dbraw/zinc/16/27/88/711162788.db2.gz LLRYCZSOYIDMQD-SECBINFHSA-N -1 0 316.404 1.537 20 30 DDEDRM C#CCN(C(C)C)S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000903885241 711316698 /nfs/dbraw/zinc/31/66/98/711316698.db2.gz JWNOTCPQAAOMJJ-UHFFFAOYSA-N -1 0 313.350 1.865 20 30 DDEDRM Cc1cc(C#N)nc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000895041097 711380744 /nfs/dbraw/zinc/38/07/44/711380744.db2.gz XZRHWNNODZGYRM-CYBMUJFWSA-N -1 0 312.295 1.909 20 30 DDEDRM CCCCN(O)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000904211955 711410465 /nfs/dbraw/zinc/41/04/65/711410465.db2.gz HWFWSAKFIUKSQE-UHFFFAOYSA-N -1 0 316.379 1.274 20 30 DDEDRM C=CCCCN(CC)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000904947026 711905788 /nfs/dbraw/zinc/90/57/88/711905788.db2.gz JZTGFYRJUILMDH-QWHCGFSZSA-N -1 0 310.394 1.370 20 30 DDEDRM C[C@@H]1/C(=C\c2ccc(OCCC(=O)[O-])cc2)C(=O)c2ncnn21 ZINC000905079875 711929622 /nfs/dbraw/zinc/92/96/22/711929622.db2.gz GMPNHFXPVCEFIR-SEEODLKFSA-N -1 0 313.313 1.973 20 30 DDEDRM C=CCOc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cc1 ZINC000913742803 713291991 /nfs/dbraw/zinc/29/19/91/713291991.db2.gz VPBOZRAPATWZJA-UHFFFAOYSA-N -1 0 313.361 1.784 20 30 DDEDRM O=C([O-])c1cnc(Cl)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000905457188 712042658 /nfs/dbraw/zinc/04/26/58/712042658.db2.gz TWHNZYMMCDYNGY-QWRGUYRKSA-N -1 0 321.768 1.627 20 30 DDEDRM C=CCC[C@H](NC(=O)N[C@H](COC)[C@@H]1CCCOC1)C(=O)[O-] ZINC000905585125 712086873 /nfs/dbraw/zinc/08/68/73/712086873.db2.gz GXRWPRRSIDGAMX-FRRDWIJNSA-N -1 0 314.382 1.147 20 30 DDEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000905987795 712211362 /nfs/dbraw/zinc/21/13/62/712211362.db2.gz DRUNOUNIUFTZOB-UHFFFAOYSA-N -1 0 308.359 1.404 20 30 DDEDRM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)C#N)C(=O)[O-] ZINC000905995784 712214559 /nfs/dbraw/zinc/21/45/59/712214559.db2.gz AHKARDHOYQUADE-NWDGAFQWSA-N -1 0 316.423 1.831 20 30 DDEDRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C#N)C1)C(=O)[O-] ZINC000905997102 712214967 /nfs/dbraw/zinc/21/49/67/712214967.db2.gz JHJLSXYKXGTDBA-RYUDHWBXSA-N -1 0 316.423 1.689 20 30 DDEDRM C=CCCCS(=O)(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000905998716 712215819 /nfs/dbraw/zinc/21/58/19/712215819.db2.gz HKTQOANUHOHPBI-TZMCWYRMSA-N -1 0 301.408 1.859 20 30 DDEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000906935454 712442656 /nfs/dbraw/zinc/44/26/56/712442656.db2.gz STVFIGYHIRDTIO-OLZOCXBDSA-N -1 0 323.370 1.152 20 30 DDEDRM C#CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000907024049 712467742 /nfs/dbraw/zinc/46/77/42/712467742.db2.gz AXAOGQCTONBOOI-LLVKDONJSA-N -1 0 323.370 1.514 20 30 DDEDRM C#CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000907024050 712467831 /nfs/dbraw/zinc/46/78/31/712467831.db2.gz AXAOGQCTONBOOI-NSHDSACASA-N -1 0 323.370 1.514 20 30 DDEDRM N#C[C@@]1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCCOC1 ZINC000908291106 712729828 /nfs/dbraw/zinc/72/98/28/712729828.db2.gz HDMZVCJLBJMOTA-CJNGLKHVSA-N -1 0 308.378 1.704 20 30 DDEDRM C=C(C)[C@H](CC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C)OCC ZINC000908437370 712772115 /nfs/dbraw/zinc/77/21/15/712772115.db2.gz CIJZDAGYWKUAKR-FZMZJTMJSA-N -1 0 321.377 1.683 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)NCCn1cnc2ccccc21 ZINC000908774098 712852479 /nfs/dbraw/zinc/85/24/79/712852479.db2.gz SGCPGFROBFNEGS-UHFFFAOYSA-N -1 0 302.334 1.319 20 30 DDEDRM C=C(C)C[C@H](NC(=O)NCc1cn2ccc(C)cc2n1)C(=O)[O-] ZINC000908867666 712874103 /nfs/dbraw/zinc/87/41/03/712874103.db2.gz SCFHOXIZBJUHKL-ZDUSSCGKSA-N -1 0 316.361 1.861 20 30 DDEDRM C=CCOC[C@H](NC(=O)NC[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000908888888 712880114 /nfs/dbraw/zinc/88/01/14/712880114.db2.gz UFGQFVAHWAUVME-FZMZJTMJSA-N -1 0 324.352 1.884 20 30 DDEDRM CC#CCCNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914339259 713381163 /nfs/dbraw/zinc/38/11/63/713381163.db2.gz HTVKBFWKPBVYAC-UHFFFAOYSA-N -1 0 323.292 1.983 20 30 DDEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000915657841 713426399 /nfs/dbraw/zinc/42/63/99/713426399.db2.gz ZQEZHUOOOQWGND-SMDDNHRTSA-N -1 0 322.386 1.299 20 30 DDEDRM CC(=O)Nc1ccc(O)c(C(C)=NNc2nnc(C)c(=O)[n-]2)c1 ZINC000915944874 713436072 /nfs/dbraw/zinc/43/60/72/713436072.db2.gz LMAMDWYEZVXSBA-UHFFFAOYSA-N -1 0 316.321 1.386 20 30 DDEDRM CCN(CC)c1ccc(C=NNc2nnc(C)c(=O)[n-]2)c(O)c1 ZINC000916282799 713449695 /nfs/dbraw/zinc/44/96/95/713449695.db2.gz QOVSUQLKJPEGJL-UHFFFAOYSA-N -1 0 316.365 1.883 20 30 DDEDRM Cc1nnc([S-])n(N=Cc2c(O)ccc3ccccc32)c1=O ZINC000916304145 713450605 /nfs/dbraw/zinc/45/06/05/713450605.db2.gz ZAGMCFLTBKQCMI-UHFFFAOYSA-N -1 0 312.354 1.976 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(CSC)cc1 ZINC000916893375 713472959 /nfs/dbraw/zinc/47/29/59/713472959.db2.gz ZWVGMCVAYMIQEF-CYBMUJFWSA-N -1 0 306.387 1.635 20 30 DDEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)C2CC2)c1 ZINC000916920852 713474113 /nfs/dbraw/zinc/47/41/13/713474113.db2.gz NVPZRHQZZDHWID-AWEZNQCLSA-N -1 0 311.341 1.660 20 30 DDEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000916930695 713475044 /nfs/dbraw/zinc/47/50/44/713475044.db2.gz HFHBMCZOVYAAJB-ZDUSSCGKSA-N -1 0 311.341 1.562 20 30 DDEDRM C[C@H](C#N)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000917894842 713518784 /nfs/dbraw/zinc/51/87/84/713518784.db2.gz PVQSBDOCOSGPGJ-SNVBAGLBSA-N -1 0 322.386 1.654 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000929029289 713532813 /nfs/dbraw/zinc/53/28/13/713532813.db2.gz NQUVZVGJOJZFAY-LBPRGKRZSA-N -1 0 308.309 1.932 20 30 DDEDRM C=CC[C@@H](NC(=O)N(C)[C@H](COCC)C(=O)[O-])c1ccncc1 ZINC000929033679 713533726 /nfs/dbraw/zinc/53/37/26/713533726.db2.gz MWTZXQZEZKVDAL-ZIAGYGMSSA-N -1 0 321.377 1.830 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)C(=O)[O-] ZINC000929060024 713541665 /nfs/dbraw/zinc/54/16/65/713541665.db2.gz YXXMZPLGPIJUDI-BBBLOLIVSA-N -1 0 312.757 1.784 20 30 DDEDRM CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC000931387859 714081730 /nfs/dbraw/zinc/08/17/30/714081730.db2.gz MHLGWPFKPQHWCX-AWEZNQCLSA-N -1 0 305.353 1.837 20 30 DDEDRM 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/nfs/dbraw/zinc/60/34/78/604603478.db2.gz OMIMMSCZWUJFDN-UHFFFAOYSA-N -1 0 318.329 1.996 20 30 DDEDRM C=CCOCC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000833375838 604612098 /nfs/dbraw/zinc/61/20/98/604612098.db2.gz LVCZTVKHWTVPJR-SECBINFHSA-N -1 0 324.308 1.170 20 30 DDEDRM C[C@H](Oc1ccc(CN2CCN(CC#N)CC2)cc1)C(=O)[O-] ZINC000833542028 604627827 /nfs/dbraw/zinc/62/78/27/604627827.db2.gz PUGNXRIRPZKDKG-ZDUSSCGKSA-N -1 0 303.362 1.180 20 30 DDEDRM C[C@H](OC(=O)c1cccc(CC#N)c1)c1cn(CC(=O)[O-])nn1 ZINC000827861916 604678151 /nfs/dbraw/zinc/67/81/51/604678151.db2.gz OYKHBAGXVCGBTA-JTQLQIEISA-N -1 0 314.301 1.347 20 30 DDEDRM N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000831102254 604806212 /nfs/dbraw/zinc/80/62/12/604806212.db2.gz DJRPRMXPNQRZFS-SNVBAGLBSA-N -1 0 322.296 1.602 20 30 DDEDRM C=CCn1nnnc1Sc1nc(Cl)c(C(=O)[O-])s1 ZINC000833380344 604825267 /nfs/dbraw/zinc/82/52/67/604825267.db2.gz BWMJOMHLEKOETQ-UHFFFAOYSA-N -1 0 303.756 1.818 20 30 DDEDRM C=C(C)COCCNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000823480510 604877822 /nfs/dbraw/zinc/87/78/22/604877822.db2.gz FBVDTYJKXGZFPQ-STQMWFEESA-N -1 0 313.398 1.657 20 30 DDEDRM C=C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000833370711 604898145 /nfs/dbraw/zinc/89/81/45/604898145.db2.gz GTTDGJIUFGVROY-MRVPVSSYSA-N -1 0 315.347 1.255 20 30 DDEDRM N#Cc1c(Cn2cnc(-c3ccccn3)n2)cccc1C(=O)[O-] ZINC000833760955 605003791 /nfs/dbraw/zinc/00/37/91/605003791.db2.gz KBKWURDBRDKBJZ-UHFFFAOYSA-N -1 0 305.297 1.958 20 30 DDEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000776673362 605044535 /nfs/dbraw/zinc/04/45/35/605044535.db2.gz IHCDTRZZBHRTEY-UHFFFAOYSA-N -1 0 314.750 1.449 20 30 DDEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(=O)[O-])no1 ZINC000833364587 605264516 /nfs/dbraw/zinc/26/45/16/605264516.db2.gz PMVTYDGLPJOURJ-UHFFFAOYSA-N -1 0 302.261 1.788 20 30 DDEDRM C#CCCN1CCN(C(=O)CN(C(=O)[O-])c2ccccc2)CC1 ZINC000823444633 605278775 /nfs/dbraw/zinc/27/87/75/605278775.db2.gz OIARSYUACVJHIE-UHFFFAOYSA-N -1 0 315.373 1.339 20 30 DDEDRM N#Cc1cccc(OCCCOC(=O)C=C2CN(C(=O)[O-])C2)c1 ZINC000833975887 605314232 /nfs/dbraw/zinc/31/42/32/605314232.db2.gz HKOTUASEMSXFGJ-UHFFFAOYSA-N -1 0 316.313 1.790 20 30 DDEDRM C[C@]1(C#N)CCCN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000833551458 605340441 /nfs/dbraw/zinc/34/04/41/605340441.db2.gz LEXVLAHLRBQKQK-CYBMUJFWSA-N -1 0 308.363 1.928 20 30 DDEDRM CCN(CCCNC(=O)Nc1cc(C)n(CCC#N)n1)C(=O)[O-] ZINC000833858778 605346362 /nfs/dbraw/zinc/34/63/62/605346362.db2.gz QEIIYYARVFYTGA-UHFFFAOYSA-N -1 0 322.369 1.617 20 30 DDEDRM N#CCCCCNC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833969212 605383071 /nfs/dbraw/zinc/38/30/71/605383071.db2.gz SZDCOUNCLBMHRH-RWMBFGLXSA-N -1 0 308.382 1.758 20 30 DDEDRM C#CCOCCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833366375 605430957 /nfs/dbraw/zinc/43/09/57/605430957.db2.gz UKSONUKXSCYZHD-ZDUSSCGKSA-N -1 0 324.764 1.805 20 30 DDEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000833374296 605445799 /nfs/dbraw/zinc/44/57/99/605445799.db2.gz FULIFSPDJKWCTB-UHFFFAOYSA-N -1 0 324.358 1.725 20 30 DDEDRM N#CCOc1cccc(CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833966922 605588640 /nfs/dbraw/zinc/58/86/40/605588640.db2.gz MSRDHCYCHFVSFT-CYBMUJFWSA-N -1 0 317.345 1.390 20 30 DDEDRM C[C@@H](NC(=O)NC(C)(C)CNC(=O)[O-])c1cccc(C#N)c1 ZINC000825157373 605646855 /nfs/dbraw/zinc/64/68/55/605646855.db2.gz YSDCDTLZGGTCLG-SNVBAGLBSA-N -1 0 304.350 1.965 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000833968550 605674634 /nfs/dbraw/zinc/67/46/34/605674634.db2.gz WIBFOCKDDPKKAW-DGCLKSJQSA-N -1 0 304.306 1.229 20 30 DDEDRM Cc1onc(CC(=O)NCC2(NC(=O)[O-])CCCCC2)c1C#N ZINC000833936580 605695810 /nfs/dbraw/zinc/69/58/10/605695810.db2.gz MVYNZKCXWAQKLO-UHFFFAOYSA-N -1 0 320.349 1.484 20 30 DDEDRM N#Cc1ccc(OCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739128490 605699885 /nfs/dbraw/zinc/69/98/85/605699885.db2.gz FTQQOYBDXLLMOU-LBPRGKRZSA-N -1 0 303.318 1.196 20 30 DDEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738633082 605913052 /nfs/dbraw/zinc/91/30/52/605913052.db2.gz VQNPUZMIGIHVBU-GWCFXTLKSA-N -1 0 302.334 1.227 20 30 DDEDRM N#CCc1ccccc1CC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000833967710 606082717 /nfs/dbraw/zinc/08/27/17/606082717.db2.gz MZHIMVDJJCIZAX-HNNXBMFYSA-N -1 0 315.373 1.944 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000797715747 700019981 /nfs/dbraw/zinc/01/99/81/700019981.db2.gz TWINVHHMXCFNKB-UHFFFAOYSA-N -1 0 320.345 1.630 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000797727668 700021608 /nfs/dbraw/zinc/02/16/08/700021608.db2.gz QIEMVPHLPCLXDX-LLVKDONJSA-N -1 0 310.325 1.875 20 30 DDEDRM C#CCOc1cccc(NC(=O)N[C@@H](COCC=C)C(=O)[O-])c1 ZINC000797743745 700022315 /nfs/dbraw/zinc/02/23/15/700022315.db2.gz NKNDWZDOQGXJEE-AWEZNQCLSA-N -1 0 318.329 1.476 20 30 DDEDRM N#CCC1(CNC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000797768970 700023679 /nfs/dbraw/zinc/02/36/79/700023679.db2.gz 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/nfs/dbraw/zinc/21/56/63/696215663.db2.gz UGLIKVVBJGQDQE-UHFFFAOYSA-N -1 0 323.374 1.761 20 30 DDEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000048676597 696216310 /nfs/dbraw/zinc/21/63/10/696216310.db2.gz VJMWYNABEYMDBM-UHFFFAOYSA-N -1 0 321.358 1.678 20 30 DDEDRM CCCOCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000049178099 696221933 /nfs/dbraw/zinc/22/19/33/696221933.db2.gz OZISZLRYSLWLHJ-UHFFFAOYSA-N -1 0 321.376 1.607 20 30 DDEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1S(C)(=O)=O ZINC000049418220 696223619 /nfs/dbraw/zinc/22/36/19/696223619.db2.gz GTCPUMIXZRHUBX-UHFFFAOYSA-N -1 0 319.404 1.441 20 30 DDEDRM CCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1 ZINC000049501573 696224541 /nfs/dbraw/zinc/22/45/41/696224541.db2.gz KCELYWGCEFJNOW-UHFFFAOYSA-N -1 0 319.404 1.523 20 30 DDEDRM CC(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052368370 696256257 /nfs/dbraw/zinc/25/62/57/696256257.db2.gz VMTBWXVIBKOCOH-UHFFFAOYSA-N -1 0 317.279 1.804 20 30 DDEDRM N#Cc1nc(NC(=O)c2csc(-c3ccccn3)n2)[n-]c1C#N ZINC000061620953 696320646 /nfs/dbraw/zinc/32/06/46/696320646.db2.gz PVVPEOJTICGZIJ-UHFFFAOYSA-N -1 0 321.325 1.924 20 30 DDEDRM CC(=O)N[C@@H](CC(=O)[N-]S(C)(=O)=O)c1c(F)cccc1F ZINC000067600048 696362303 /nfs/dbraw/zinc/36/23/03/696362303.db2.gz GEVFRZBIOGSAOU-JTQLQIEISA-N -1 0 320.317 1.448 20 30 DDEDRM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000067743354 696363965 /nfs/dbraw/zinc/36/39/65/696363965.db2.gz QNYLUXJFPOOEDU-LDYMZIIASA-N -1 0 311.363 1.156 20 30 DDEDRM N#Cc1ccc(CNS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000070157470 696387665 /nfs/dbraw/zinc/38/76/65/696387665.db2.gz FSXRGPJSGOQQTD-UHFFFAOYSA-N -1 0 322.367 1.796 20 30 DDEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)NC3CC3)nn2)c1 ZINC000102120160 696609714 /nfs/dbraw/zinc/60/97/14/696609714.db2.gz UNZBVOZSVUIMGK-CYBMUJFWSA-N -1 0 309.329 1.177 20 30 DDEDRM O=c1c2ccccc2ncn1N=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748132851 700101414 /nfs/dbraw/zinc/10/14/14/700101414.db2.gz 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697341567 /nfs/dbraw/zinc/34/15/67/697341567.db2.gz RJLXENSVTYRNFW-LBPRGKRZSA-N -1 0 301.346 1.814 20 30 DDEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2=COCCC2)c1 ZINC000174147525 697385101 /nfs/dbraw/zinc/38/51/01/697385101.db2.gz HJJPIFCCRVULTE-UHFFFAOYSA-N -1 0 306.343 1.199 20 30 DDEDRM C#CCSCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176303569 697403722 /nfs/dbraw/zinc/40/37/22/697403722.db2.gz HTZKSRAYZKKZGL-UHFFFAOYSA-N -1 0 319.361 1.813 20 30 DDEDRM Cn1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c(=O)n(C)c1=O ZINC000176955800 697407815 /nfs/dbraw/zinc/40/78/15/697407815.db2.gz GQZJSVSTECEUFW-HWKANZROSA-N -1 0 320.732 1.339 20 30 DDEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(OC)cs1 ZINC000177592425 697413718 /nfs/dbraw/zinc/41/37/18/697413718.db2.gz WRUIEFQGVWJRAB-NSHDSACASA-N -1 0 310.375 1.622 20 30 DDEDRM CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)CCCC#N ZINC000181268584 697456763 /nfs/dbraw/zinc/45/67/63/697456763.db2.gz DNNNLEQHNLPLOJ-GFCCVEGCSA-N -1 0 304.412 1.577 20 30 DDEDRM 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CCC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000262667148 407895674 /nfs/dbraw/zinc/89/56/74/407895674.db2.gz NUMIVQCLLWFGPO-JTQLQIEISA-N -1 0 316.766 1.743 20 30 DDEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nncs1 ZINC000153864236 407921260 /nfs/dbraw/zinc/92/12/60/407921260.db2.gz FAHDWFAPQBRKOU-UHFFFAOYSA-N -1 0 300.752 1.864 20 30 DDEDRM C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-] ZINC000263112617 408029374 /nfs/dbraw/zinc/02/93/74/408029374.db2.gz QAKMEMMFBLCWEN-MRVPVSSYSA-N -1 0 300.311 1.039 20 30 DDEDRM N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000263363346 408119092 /nfs/dbraw/zinc/11/90/92/408119092.db2.gz KYPBRCIHJBUDON-GFCCVEGCSA-N -1 0 305.309 1.704 20 30 DDEDRM CC[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CC(=O)[O-] ZINC000147377878 408189066 /nfs/dbraw/zinc/18/90/66/408189066.db2.gz GIWPQBJRAKSFBT-VIFPVBQESA-N -1 0 314.338 1.477 20 30 DDEDRM CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000273724775 408293981 /nfs/dbraw/zinc/29/39/81/408293981.db2.gz QZSAOSLTAUFPDJ-UHFFFAOYSA-N -1 0 322.386 1.798 20 30 DDEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1[N+](=O)[O-] ZINC000191780628 408490432 /nfs/dbraw/zinc/49/04/32/408490432.db2.gz JBZQYLNUHDHTPP-UHFFFAOYSA-N -1 0 321.318 1.607 20 30 DDEDRM C=CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(=O)[O-] ZINC000274931460 408567701 /nfs/dbraw/zinc/56/77/01/408567701.db2.gz PCWSNVFLMXHCSS-BXKDBHETSA-N -1 0 311.359 1.318 20 30 DDEDRM CC#CC[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000274932527 408567871 /nfs/dbraw/zinc/56/78/71/408567871.db2.gz CQVWYTUFZIIUJX-JTQLQIEISA-N -1 0 321.276 1.249 20 30 DDEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000274947944 408572317 /nfs/dbraw/zinc/57/23/17/408572317.db2.gz SAAMPBIAONDSAO-CYBMUJFWSA-N -1 0 313.375 1.781 20 30 DDEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000274952166 408574169 /nfs/dbraw/zinc/57/41/69/408574169.db2.gz AKZWXEODMQMEML-OAHLLOKOSA-N -1 0 322.386 1.742 20 30 DDEDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C#N)ccc1C ZINC000275116357 408579377 /nfs/dbraw/zinc/57/93/77/408579377.db2.gz NONZSAFGEFXTKA-IINYFYTJSA-N -1 0 324.402 1.987 20 30 DDEDRM Cc1nc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)ccc1C#N ZINC000178190277 408785839 /nfs/dbraw/zinc/78/58/39/408785839.db2.gz ZLGFPTAQKXCZGN-UHFFFAOYSA-N -1 0 319.328 1.618 20 30 DDEDRM CC(C)(CNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-] ZINC000164866546 408806892 /nfs/dbraw/zinc/80/68/92/408806892.db2.gz WOTRGVYLJJEWNU-UHFFFAOYSA-N -1 0 300.311 1.086 20 30 DDEDRM C[C@H](CC#N)N(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000185143238 408769035 /nfs/dbraw/zinc/76/90/35/408769035.db2.gz TXWSRXGETJWUGG-MRVPVSSYSA-N -1 0 300.311 1.447 20 30 DDEDRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000276311008 408833980 /nfs/dbraw/zinc/83/39/80/408833980.db2.gz XGLJPKKQHLMYHB-OAHLLOKOSA-N -1 0 322.386 1.885 20 30 DDEDRM C=CCN(CCC#N)S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000291842137 408932614 /nfs/dbraw/zinc/93/26/14/408932614.db2.gz FBALNJHXUFQYSU-UHFFFAOYSA-N -1 0 314.388 1.845 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)NCc2cccnn2)c(Cl)c1 ZINC000236034082 163356186 /nfs/dbraw/zinc/35/61/86/163356186.db2.gz NMZZLMXMMFXNFX-UHFFFAOYSA-N -1 0 308.750 1.480 20 30 DDEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnn(CC(F)F)c2)C(=O)O1 ZINC000292377770 409027662 /nfs/dbraw/zinc/02/76/62/409027662.db2.gz UBDGZQVEPVJDFV-IBUXWKBASA-N -1 0 310.256 1.376 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000287385603 409029796 /nfs/dbraw/zinc/02/97/96/409029796.db2.gz COECBEVTWHTLDT-UHFFFAOYSA-N -1 0 312.347 1.417 20 30 DDEDRM C=CCCCNS(=O)(=O)c1nc(C)n(C)c1Br ZINC000287393802 409030701 /nfs/dbraw/zinc/03/07/01/409030701.db2.gz OBIHGFOHGQHSDY-UHFFFAOYSA-N -1 0 322.228 1.736 20 30 DDEDRM CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1 ZINC000287733775 409084204 /nfs/dbraw/zinc/08/42/04/409084204.db2.gz ZIBGOERQPTWTOE-SECBINFHSA-N -1 0 300.336 1.319 20 30 DDEDRM C=CCC(C)(C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000293756204 409174781 /nfs/dbraw/zinc/17/47/81/409174781.db2.gz KYTQYFYIUWHHFG-UHFFFAOYSA-N -1 0 302.334 1.768 20 30 DDEDRM N#C[C@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CCO1 ZINC000285054061 409393619 /nfs/dbraw/zinc/39/36/19/409393619.db2.gz OGYWJHWMOFUWLA-JTQLQIEISA-N -1 0 320.732 1.876 20 30 DDEDRM CO[C@H](CS(=O)(=O)[N-]c1c(C#N)cnn1C)c1ccccc1 ZINC000296046108 409411709 /nfs/dbraw/zinc/41/17/09/409411709.db2.gz SYZMFCQLJDBBEB-CYBMUJFWSA-N -1 0 320.374 1.421 20 30 DDEDRM N#Cc1cccc([C@@H]2CN(C(=O)NCCC(=O)[O-])CCO2)c1 ZINC000263344365 163953080 /nfs/dbraw/zinc/95/30/80/163953080.db2.gz GGQDUAZPYUDQFQ-ZDUSSCGKSA-N -1 0 303.318 1.116 20 30 DDEDRM Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408500053 164351354 /nfs/dbraw/zinc/35/13/54/164351354.db2.gz PGBZFFHMCRNWEU-GBIKHYSHSA-N -1 0 307.375 1.443 20 30 DDEDRM Cc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354472433 409880623 /nfs/dbraw/zinc/88/06/23/409880623.db2.gz OVWQZQORJKIGCL-CYBMUJFWSA-N -1 0 315.354 1.679 20 30 DDEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000357128864 409892362 /nfs/dbraw/zinc/89/23/62/409892362.db2.gz HHJHAZIACBDFTF-UHFFFAOYSA-N -1 0 314.326 1.249 20 30 DDEDRM C=CCN=c1[n-]nc(S(=O)(=O)Cc2cncc(C)c2)s1 ZINC000357128885 409892472 /nfs/dbraw/zinc/89/24/72/409892472.db2.gz HSKCNSQENAWVNZ-UHFFFAOYSA-N -1 0 310.404 1.813 20 30 DDEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)n2ccc3ccccc3c2=O)c1C#N ZINC000357250769 409953072 /nfs/dbraw/zinc/95/30/72/409953072.db2.gz ZDPOWGATKKRXIA-LLVKDONJSA-N -1 0 321.340 2.104 20 30 DDEDRM Cn1cc(N=c2[n-]nc(COc3ccc(C#N)cc3)n2C)cn1 ZINC000350104508 409927158 /nfs/dbraw/zinc/92/71/58/409927158.db2.gz LZOFJGUXFFCCIK-UHFFFAOYSA-N -1 0 309.333 1.743 20 30 DDEDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357385712 410008657 /nfs/dbraw/zinc/00/86/57/410008657.db2.gz JNUAOPGCQKOWIL-UHFFFAOYSA-N -1 0 305.363 1.607 20 30 DDEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)n(C)n2)n1 ZINC000354688664 410020834 /nfs/dbraw/zinc/02/08/34/410020834.db2.gz VIKLBXCNKWJQKY-SECBINFHSA-N -1 0 318.358 1.852 20 30 DDEDRM COC(=O)Cc1occ(C)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000352609707 410671405 /nfs/dbraw/zinc/67/14/05/410671405.db2.gz JXMYOPAHHKEYGE-UHFFFAOYSA-N -1 0 313.273 1.022 20 30 DDEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cn1 ZINC000355856385 410703133 /nfs/dbraw/zinc/70/31/33/410703133.db2.gz VJVWXGMESGFHTE-UHFFFAOYSA-N -1 0 306.285 1.696 20 30 DDEDRM CCn1cnc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000343811394 410718475 /nfs/dbraw/zinc/71/84/75/410718475.db2.gz HYOZXBMKJABVGI-UHFFFAOYSA-N -1 0 319.390 1.641 20 30 DDEDRM C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccc(C)cc2)s1 ZINC000352753844 410677426 /nfs/dbraw/zinc/67/74/26/410677426.db2.gz PSPORUFOFJOCMD-UHFFFAOYSA-N -1 0 309.416 2.418 20 30 DDEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cc1 ZINC000352876946 410684982 /nfs/dbraw/zinc/68/49/82/410684982.db2.gz PSCHELQPOGJFSF-UHFFFAOYSA-N -1 0 320.330 1.177 20 30 DDEDRM Cn1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000356224235 410907205 /nfs/dbraw/zinc/90/72/05/410907205.db2.gz PJIHJDBJVLLABE-QMMMGPOBSA-N -1 0 311.257 1.960 20 30 DDEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ncccc1[O-] ZINC000359944406 410962187 /nfs/dbraw/zinc/96/21/87/410962187.db2.gz OHRCNNYTYKGRDV-UHFFFAOYSA-N -1 0 320.312 1.800 20 30 DDEDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(F)c(C#N)c2)s[n-]1 ZINC000341763637 411054169 /nfs/dbraw/zinc/05/41/69/411054169.db2.gz IMZUJJKPDCWGSF-ZETCQYMHSA-N -1 0 306.322 1.930 20 30 DDEDRM CC(C)[C@H](C#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000264630865 222334661 /nfs/dbraw/zinc/33/46/61/222334661.db2.gz NTZIUILXHPHVKJ-LBPRGKRZSA-N -1 0 316.386 1.500 20 30 DDEDRM C=CCC[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000262786099 222294268 /nfs/dbraw/zinc/29/42/68/222294268.db2.gz BKHDAWOXNNLTOD-AAEUAGOBSA-N -1 0 310.394 1.607 20 30 DDEDRM C=CCOC[C@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)[O-] ZINC000262928271 222299386 /nfs/dbraw/zinc/29/93/86/222299386.db2.gz GUMGWXBEDDKQES-ZDUSSCGKSA-N -1 0 303.314 1.234 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@@H]1COc2cc(C)c(C)cc21)C(=O)[O-] ZINC000262966626 222300482 /nfs/dbraw/zinc/30/04/82/222300482.db2.gz JPDCCIVHMBMQEN-ZIAGYGMSSA-N -1 0 319.357 1.551 20 30 DDEDRM C=CCOC[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)[O-] ZINC000263101369 222303527 /nfs/dbraw/zinc/30/35/27/222303527.db2.gz UCLOCGSYBWYVMM-STQMWFEESA-N -1 0 311.309 1.021 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000263178388 222304675 /nfs/dbraw/zinc/30/46/75/222304675.db2.gz ZJGRVPIYIBCQBW-GXFFZTMASA-N -1 0 311.309 1.365 20 30 DDEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263292402 222307646 /nfs/dbraw/zinc/30/76/46/222307646.db2.gz VNUZWWPSAMSQHT-CYBMUJFWSA-N -1 0 304.346 1.868 20 30 DDEDRM C=CC[C@H](CO)NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263502495 222308670 /nfs/dbraw/zinc/30/86/70/222308670.db2.gz VZDHTSHXWMNONY-LSDHHAIUSA-N -1 0 320.389 1.699 20 30 DDEDRM N#Cc1ccc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1F ZINC000377587850 418712131 /nfs/dbraw/zinc/71/21/31/418712131.db2.gz ZXPPPZGBOZZODS-GFCCVEGCSA-N -1 0 301.325 1.901 20 30 DDEDRM Cc1ccc(N2CCC(=C([O-])N=C3C[C@@H](C)ON3)C2=O)cc1C ZINC000371274375 418772788 /nfs/dbraw/zinc/77/27/88/418772788.db2.gz DYEMGEUGLWJZIV-TZMCWYRMSA-N -1 0 315.373 1.895 20 30 DDEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c([N+](=O)[O-])n1 ZINC000435728758 420281828 /nfs/dbraw/zinc/28/18/28/420281828.db2.gz PZBBPZYKQYQTQE-UHFFFAOYSA-N -1 0 321.318 1.484 20 30 DDEDRM Cc1nsc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1C#N ZINC000416446243 420374048 /nfs/dbraw/zinc/37/40/48/420374048.db2.gz OMPZZTYXZAXLIA-WDEREUQCSA-N -1 0 322.390 1.445 20 30 DDEDRM C=C[C@](C)(CC)C(=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000450760191 420523133 /nfs/dbraw/zinc/52/31/33/420523133.db2.gz QUBCVKFXOAEORL-OAHLLOKOSA-N -1 0 323.418 1.882 20 30 DDEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2cccc(F)c2)CC1 ZINC000492778762 420661803 /nfs/dbraw/zinc/66/18/03/420661803.db2.gz UBQRBDMYQSBTLX-PLNGDYQASA-N -1 0 308.334 1.589 20 30 DDEDRM CC(C)[C@@H](C#N)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000443137911 420745882 /nfs/dbraw/zinc/74/58/82/420745882.db2.gz DGDNWJICESPGDX-SECBINFHSA-N -1 0 307.297 1.927 20 30 DDEDRM COc1c(NC(=O)c2ccc(C#N)c([O-])c2)cccc1C(N)=O ZINC000442801662 420718854 /nfs/dbraw/zinc/71/88/54/420718854.db2.gz NQJUGJBPTGBBRN-UHFFFAOYSA-N -1 0 311.297 1.624 20 30 DDEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCOC1 ZINC000493387262 420834991 /nfs/dbraw/zinc/83/49/91/420834991.db2.gz NNXMDEWTKZVGKH-ZYOFXKKJSA-N -1 0 320.370 1.264 20 30 DDEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000493452046 420854380 /nfs/dbraw/zinc/85/43/80/420854380.db2.gz KFSVOGZMDWCONA-FNORWQNLSA-N -1 0 303.792 1.884 20 30 DDEDRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000493490857 420865086 /nfs/dbraw/zinc/86/50/86/420865086.db2.gz JVIBQWSKZPFPPR-XUIVZRPNSA-N -1 0 308.359 1.052 20 30 DDEDRM CCc1nnc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)[nH]1 ZINC000479042334 420973395 /nfs/dbraw/zinc/97/33/95/420973395.db2.gz GVMWPBPDMIAZED-UHFFFAOYSA-N -1 0 304.335 1.314 20 30 DDEDRM N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000548589733 421451839 /nfs/dbraw/zinc/45/18/39/421451839.db2.gz FEXAQCAPCFZJIF-UHFFFAOYSA-N -1 0 324.289 1.467 20 30 DDEDRM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](C)C(=O)[O-] ZINC000562644009 421391442 /nfs/dbraw/zinc/39/14/42/421391442.db2.gz WDHULJLFVSGVMY-JGVFFNPUSA-N -1 0 316.766 1.599 20 30 DDEDRM C=CCC[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC000562649003 421391664 /nfs/dbraw/zinc/39/16/64/421391664.db2.gz YREMTRLVWJXKLU-QMMMGPOBSA-N -1 0 320.271 1.986 20 30 DDEDRM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529106104 421528336 /nfs/dbraw/zinc/52/83/36/421528336.db2.gz HYMVCPYGHGNKBK-LBPRGKRZSA-N -1 0 322.386 1.494 20 30 DDEDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)[C@H]1C1CC1 ZINC000528911276 421523789 /nfs/dbraw/zinc/52/37/89/421523789.db2.gz WHCYHVIYEGGTGR-CUOATXAZSA-N -1 0 304.371 1.655 20 30 DDEDRM CCc1ccccc1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530271058 421590427 /nfs/dbraw/zinc/59/04/27/421590427.db2.gz BPYSECUOONUVOY-UHFFFAOYSA-N -1 0 324.340 1.080 20 30 DDEDRM CCCC[C@H](C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530271115 421590939 /nfs/dbraw/zinc/59/09/39/421590939.db2.gz DNXZNQOIEGJOBI-JTQLQIEISA-N -1 0 304.350 1.030 20 30 DDEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1 ZINC000566550849 421607076 /nfs/dbraw/zinc/60/70/76/421607076.db2.gz SUJFLMIDDGAQIU-CYBMUJFWSA-N -1 0 319.423 1.532 20 30 DDEDRM Cn1ccnc1[C@H](NS(=O)(=O)c1cncc(C#N)c1)C1CC1 ZINC000554975462 421666625 /nfs/dbraw/zinc/66/66/25/421666625.db2.gz KAEZRPGILLPHCD-CYBMUJFWSA-N -1 0 317.374 1.116 20 30 DDEDRM C=CCSCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000566180522 421603722 /nfs/dbraw/zinc/60/37/22/421603722.db2.gz NZORJWGVJHLEML-UHFFFAOYSA-N -1 0 315.416 1.511 20 30 DDEDRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000559215229 421830754 /nfs/dbraw/zinc/83/07/54/421830754.db2.gz JQHGADWVXOLNIN-QWHCGFSZSA-N -1 0 323.374 1.136 20 30 DDEDRM CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000521610783 421794510 /nfs/dbraw/zinc/79/45/10/421794510.db2.gz BDMAUGDPUYSJOY-NEPJUHHUSA-N -1 0 316.423 1.735 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(=O)[O-] ZINC000630321647 422023288 /nfs/dbraw/zinc/02/32/88/422023288.db2.gz KVQLSWMEQHHRPC-SECBINFHSA-N -1 0 315.347 1.141 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)[O-] ZINC000630320212 422024157 /nfs/dbraw/zinc/02/41/57/422024157.db2.gz RCOMFZWMBPQYPY-CHWSQXEVSA-N -1 0 320.345 1.399 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)C(=O)[O-] ZINC000630318503 422021976 /nfs/dbraw/zinc/02/19/76/422021976.db2.gz HXVLFFGQXDXDRU-SNVBAGLBSA-N -1 0 319.317 1.798 20 30 DDEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000630414742 422087271 /nfs/dbraw/zinc/08/72/71/422087271.db2.gz FIXQJRWYFDGRJB-UHFFFAOYSA-N -1 0 313.379 1.260 20 30 DDEDRM C=C(C)C[C@@H](NS(=O)(=O)C1Cc2ccccc2C1)C(=O)[O-] ZINC000630438697 422105093 /nfs/dbraw/zinc/10/50/93/422105093.db2.gz WUQCTIJROSGYDX-CQSZACIVSA-N -1 0 309.387 1.493 20 30 DDEDRM C=C(C)C[C@H](NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000630438728 422105525 /nfs/dbraw/zinc/10/55/25/422105525.db2.gz XNAGADQDGQUYCK-MELADBBJSA-N -1 0 309.387 1.881 20 30 DDEDRM N#Cc1cccc(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000582243348 422140780 /nfs/dbraw/zinc/14/07/80/422140780.db2.gz KDNCXQHSZDCKNP-UHFFFAOYSA-N -1 0 311.345 1.331 20 30 DDEDRM C=CCOC[C@@H](NC(=O)NCc1ccc(C)cc1OC)C(=O)[O-] ZINC000583909646 422215413 /nfs/dbraw/zinc/21/54/13/422215413.db2.gz FFHDRWDUKCRKRY-CYBMUJFWSA-N -1 0 322.361 1.459 20 30 DDEDRM Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ncc1C#N ZINC000594578550 422350226 /nfs/dbraw/zinc/35/02/26/422350226.db2.gz FTRDXGDRDKDGSY-UHFFFAOYSA-N -1 0 305.363 1.840 20 30 DDEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000577856466 422442701 /nfs/dbraw/zinc/44/27/01/422442701.db2.gz LCKRVHRQPFOKJW-UHFFFAOYSA-N -1 0 318.373 1.971 20 30 DDEDRM O=C([O-])C1(CNC(=O)NCC#Cc2ccccc2)CCOCC1 ZINC000646141548 423365177 /nfs/dbraw/zinc/36/51/77/423365177.db2.gz DRCPPZLQRJCXHN-UHFFFAOYSA-N -1 0 316.357 1.219 20 30 DDEDRM C=CCn1cc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000649245084 423697043 /nfs/dbraw/zinc/69/70/43/423697043.db2.gz MZFXMDAUQYUOJW-CYBMUJFWSA-N -1 0 314.345 1.137 20 30 DDEDRM C=CCn1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)nn1 ZINC000649244065 423697823 /nfs/dbraw/zinc/69/78/23/423697823.db2.gz JRLLRKGVMYLMNN-CYBMUJFWSA-N -1 0 314.345 1.800 20 30 DDEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000649248039 423699668 /nfs/dbraw/zinc/69/96/68/423699668.db2.gz VUABIOUOVRBEGB-MWLCHTKSSA-N -1 0 310.375 1.747 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@@]1(C)CCc2ccccc21)C(=O)[O-] ZINC000649251028 423700473 /nfs/dbraw/zinc/70/04/73/423700473.db2.gz GLJGVYNIUQKTGD-PBHICJAKSA-N -1 0 303.358 1.663 20 30 DDEDRM C=CCCC(C)(C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000663434787 423823654 /nfs/dbraw/zinc/82/36/54/423823654.db2.gz FUJXJXITKPQYSY-UHFFFAOYSA-N -1 0 304.393 1.864 20 30 DDEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000654787600 423909476 /nfs/dbraw/zinc/90/94/76/423909476.db2.gz PATIFALMLSVYOL-GFCCVEGCSA-N -1 0 324.402 1.377 20 30 DDEDRM C=CCCn1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)nn1 ZINC000644873251 423997389 /nfs/dbraw/zinc/99/73/89/423997389.db2.gz PIGUBMUKJRQJKX-INIZCTEOSA-N -1 0 314.345 1.584 20 30 DDEDRM N#CC(=C([O-])c1c[nH]c(C(N)=O)c1)c1nc(C2CC2)cs1 ZINC000647377606 424007973 /nfs/dbraw/zinc/00/79/73/424007973.db2.gz YCQYWHUODMYDDB-SECBINFHSA-N -1 0 300.343 1.938 20 30 DDEDRM C=CCN1CC[C@@H](N2CCc3ccccc3[C@H]2C(=O)[O-])C1=O ZINC000662233442 424494378 /nfs/dbraw/zinc/49/43/78/424494378.db2.gz DQONTYFVHVGWFN-CABCVRRESA-N -1 0 300.358 1.457 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665311520 424779269 /nfs/dbraw/zinc/77/92/69/424779269.db2.gz QJJOMQFCJKCFQL-MCIONIFRSA-N -1 0 310.394 1.768 20 30 DDEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccoc2)c1C#N ZINC000351393580 266121388 /nfs/dbraw/zinc/12/13/88/266121388.db2.gz CJPAHPSPMGKORA-UHFFFAOYSA-N -1 0 309.351 1.521 20 30 DDEDRM Cc1ncc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1C#N ZINC000427286515 268087756 /nfs/dbraw/zinc/08/77/56/268087756.db2.gz GEZVPDCIQVUDEZ-UHFFFAOYSA-N -1 0 316.346 1.173 20 30 DDEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc([C@H]3CCCO3)[nH]n2)c1 ZINC000357372430 268315043 /nfs/dbraw/zinc/31/50/43/268315043.db2.gz OSHXQMIPSBDDIR-GFCCVEGCSA-N -1 0 319.346 1.329 20 30 DDEDRM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000122152693 281151757 /nfs/dbraw/zinc/15/17/57/281151757.db2.gz JEWXXPUJDIFORX-UHFFFAOYSA-N -1 0 312.738 1.382 20 30 DDEDRM Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C(=O)[O-] ZINC000424594287 301199205 /nfs/dbraw/zinc/19/92/05/301199205.db2.gz FKDYHNFCLZNGOS-NWDGAFQWSA-N -1 0 322.386 1.972 20 30 DDEDRM Cc1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])ccc1C#N ZINC000278260790 301392116 /nfs/dbraw/zinc/39/21/16/301392116.db2.gz NMGNIUQTVRESSY-IINYFYTJSA-N -1 0 322.386 1.741 20 30 DDEDRM N#CC1(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCCC1 ZINC000262370713 303142632 /nfs/dbraw/zinc/14/26/32/303142632.db2.gz FJLBQWFKDTVIPN-UHFFFAOYSA-N -1 0 314.407 1.587 20 30 DDEDRM N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CC1 ZINC000374784654 303161865 /nfs/dbraw/zinc/16/18/65/303161865.db2.gz TVFMCRIIRKJVAB-GFCCVEGCSA-N -1 0 316.317 1.113 20 30 DDEDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1C(=O)[O-] ZINC000547923957 303560410 /nfs/dbraw/zinc/56/04/10/303560410.db2.gz KDMXYRYSQSDLFV-PELKAZGASA-N -1 0 312.322 1.181 20 30 DDEDRM CCC[C@](C)(O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000359139024 306951268 /nfs/dbraw/zinc/95/12/68/306951268.db2.gz JHKJUWGVSXNRLT-AWEZNQCLSA-N -1 0 309.391 1.662 20 30 DDEDRM C[C@H](CCNS(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-] ZINC000548592830 307778187 /nfs/dbraw/zinc/77/81/87/307778187.db2.gz DYBQGBOWQOQTOK-SECBINFHSA-N -1 0 314.338 1.477 20 30 DDEDRM C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1C(=O)[O-] ZINC000566226938 308050049 /nfs/dbraw/zinc/05/00/49/308050049.db2.gz RODMVRYDECWZCG-GZMMTYOYSA-N -1 0 304.306 1.596 20 30 DDEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1n[nH]cc1C#N ZINC000569469886 308144981 /nfs/dbraw/zinc/14/49/81/308144981.db2.gz YEPGJEWRDAGISL-CYBMUJFWSA-N -1 0 320.374 1.281 20 30 DDEDRM Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000399594375 331483521 /nfs/dbraw/zinc/48/35/21/331483521.db2.gz QPKGRRNGMFAKMJ-BXUZGUMPSA-N -1 0 324.402 1.890 20 30 DDEDRM N#CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000556702376 331726469 /nfs/dbraw/zinc/72/64/69/331726469.db2.gz CHKXYRPFXBWVGJ-RYUDHWBXSA-N -1 0 302.396 1.633 20 30 DDEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OCC)cc1)C(=O)[O-] ZINC000570353484 332743575 /nfs/dbraw/zinc/74/35/75/332743575.db2.gz DVIYYKXFBXIOEX-CYBMUJFWSA-N -1 0 308.334 1.863 20 30 DDEDRM C=CCc1cc(CNC(=O)[C@H](C)C(=O)[O-])cc(OC)c1OC ZINC000580311317 333094383 /nfs/dbraw/zinc/09/43/83/333094383.db2.gz GWTOYHJEWZXVGW-JTQLQIEISA-N -1 0 307.346 1.769 20 30 DDEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000571260692 333691236 /nfs/dbraw/zinc/69/12/36/333691236.db2.gz PJQMIAZEFIXBNU-SECBINFHSA-N -1 0 317.338 1.532 20 30 DDEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1 ZINC000344862822 335285687 /nfs/dbraw/zinc/28/56/87/335285687.db2.gz ORYFTNNKQOLBCC-SNVBAGLBSA-N -1 0 310.342 1.824 20 30 DDEDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000583567864 335733640 /nfs/dbraw/zinc/73/36/40/335733640.db2.gz ORJILVOHXZKSLE-SECBINFHSA-N -1 0 311.363 1.441 20 30 DDEDRM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000582415629 336969305 /nfs/dbraw/zinc/96/93/05/336969305.db2.gz DIOWCRUZTDTGRP-KWQFWETISA-N -1 0 300.336 1.175 20 30 DDEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000582725663 337125771 /nfs/dbraw/zinc/12/57/71/337125771.db2.gz UVVXRBNQZMQIBB-UHFFFAOYSA-N -1 0 320.374 1.893 20 30 DDEDRM C=CCn1c(=O)[nH]nc1SCC(=O)Nc1ccccc1O ZINC000180714236 337177357 /nfs/dbraw/zinc/17/73/57/337177357.db2.gz LZPMUCOOTRAXNY-UHFFFAOYSA-N -1 0 306.347 1.194 20 30 DDEDRM C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000582820672 337201636 /nfs/dbraw/zinc/20/16/36/337201636.db2.gz XYNJGQJRHNFIDN-LLVKDONJSA-N -1 0 303.767 1.961 20 30 DDEDRM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000314944800 337975377 /nfs/dbraw/zinc/97/53/77/337975377.db2.gz NELWBNFTOOOSPS-PSASIEDQSA-N -1 0 313.310 1.704 20 30 DDEDRM C=C(C)CO[N-]C(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 ZINC000496743461 340011800 /nfs/dbraw/zinc/01/18/00/340011800.db2.gz UUWCJYIMQWNLKT-NEPJUHHUSA-N -1 0 314.382 1.683 20 30 DDEDRM N#CCC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000404652058 340407688 /nfs/dbraw/zinc/40/76/88/340407688.db2.gz NZOFQSMZYIYETN-UHFFFAOYSA-N -1 0 313.310 1.706 20 30 DDEDRM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000521610796 340526170 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C=CCc1cc(C(=O)N2CC(C)(C(=O)[O-])C2)cc(OC)c1OC ZINC000910056947 709758348 /nfs/dbraw/zinc/75/83/48/709758348.db2.gz MJYILLINMRCIMA-UHFFFAOYSA-N -1 0 319.357 1.979 20 30 DDEDRM C#Cc1cncc(C(=O)NCC2(CC(=O)[O-])CCOCC2)c1 ZINC000910120136 709779099 /nfs/dbraw/zinc/77/90/99/709779099.db2.gz MMYRTCOIQPVKOC-UHFFFAOYSA-N -1 0 302.330 1.064 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-] ZINC000910266191 709850201 /nfs/dbraw/zinc/85/02/01/709850201.db2.gz LGSIRSNMZIWGDO-LLVKDONJSA-N -1 0 324.768 1.402 20 30 DDEDRM C=C(C)C[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-] ZINC000910286581 709867026 /nfs/dbraw/zinc/86/70/26/709867026.db2.gz JUKPKURSMFPNML-AWEZNQCLSA-N -1 0 319.361 1.067 20 30 DDEDRM C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C(=O)[O-] ZINC000910293160 709871533 /nfs/dbraw/zinc/87/15/33/709871533.db2.gz UXLLUJLSODYQIG-STQMWFEESA-N -1 0 306.366 1.326 20 30 DDEDRM C=C(C)C[C@H](NC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000910295457 709873250 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C=CCCC[C@H](NC(=O)Cc1csc2nccn12)C(=O)[O-] ZINC000910913590 710117062 /nfs/dbraw/zinc/11/70/62/710117062.db2.gz YYKGIBXHCMZVGJ-NSHDSACASA-N -1 0 307.375 1.864 20 30 DDEDRM C=CCCC[C@H](NC(=O)CNC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000910913559 710117130 /nfs/dbraw/zinc/11/71/30/710117130.db2.gz YIYLCIPFCMPGJX-ZDUSSCGKSA-N -1 0 322.336 1.481 20 30 DDEDRM C=CCCC[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)[O-] ZINC000910917192 710118492 /nfs/dbraw/zinc/11/84/92/710118492.db2.gz NKZMYKLMNFXEHH-WCQYABFASA-N -1 0 304.346 1.931 20 30 DDEDRM C=CCCC[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-] ZINC000910917444 710118495 /nfs/dbraw/zinc/11/84/95/710118495.db2.gz QRKARTILXSCFCU-CYBMUJFWSA-N -1 0 318.377 1.616 20 30 DDEDRM Cc1nc(C2CC2)ccc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC000892933244 710527820 /nfs/dbraw/zinc/52/78/20/710527820.db2.gz SJICNFALBGVHOU-UHFFFAOYSA-N -1 0 307.375 1.631 20 30 DDEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)C2(C3CC3)CC2)c1 ZINC000893175219 710566653 /nfs/dbraw/zinc/56/66/53/710566653.db2.gz ASGVOBXPMFQJOJ-UHFFFAOYSA-N -1 0 322.361 1.834 20 30 DDEDRM C#CCCCC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000911149044 710654776 /nfs/dbraw/zinc/65/47/76/710654776.db2.gz OFHLVYJPQIWIBO-UHFFFAOYSA-N -1 0 316.357 1.963 20 30 DDEDRM N#CCc1ccc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000911153962 710658084 /nfs/dbraw/zinc/65/80/84/710658084.db2.gz SOGQJDPNGHRGSB-SNVBAGLBSA-N -1 0 300.236 1.888 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(C)(F)F ZINC000893802303 710835751 /nfs/dbraw/zinc/83/57/51/710835751.db2.gz SQYKHYALFNZOAI-ZJUUUORDSA-N -1 0 311.350 1.459 20 30 DDEDRM C=CCCO[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000911526284 710837488 /nfs/dbraw/zinc/83/74/88/710837488.db2.gz BYPSPTIWVQPLQY-ZDUSSCGKSA-N -1 0 306.362 1.866 20 30 DDEDRM C#C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H]1CCCO1 ZINC000911577139 710862571 /nfs/dbraw/zinc/86/25/71/710862571.db2.gz AXQDTEMFVGXUMH-IQFARLITSA-N -1 0 305.374 1.709 20 30 DDEDRM C#C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CCCO1 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DDEDRM C[C@@H]1/C(=C\c2cccc(OCCC(=O)[O-])c2)C(=O)c2ncnn21 ZINC000905081775 711930309 /nfs/dbraw/zinc/93/03/09/711930309.db2.gz SKYSKDTXTDCPOX-SEEODLKFSA-N -1 0 313.313 1.973 20 30 DDEDRM N#C[C@]1(C(=O)N2CCC(c3nnn[n-]3)CC2)CC2CCC1CC2 ZINC000913746004 713293933 /nfs/dbraw/zinc/29/39/33/713293933.db2.gz SRHXTRHOKYMCNZ-IJGSQOGDSA-N -1 0 314.393 1.626 20 30 DDEDRM C=CCCC[C@@H](NC(=O)NC[C@@H](C)Cn1cccn1)C(=O)[O-] ZINC000905516243 712061587 /nfs/dbraw/zinc/06/15/87/712061587.db2.gz WRAQCOZBLJERCY-CHWSQXEVSA-N -1 0 308.382 1.628 20 30 DDEDRM C=CCOC[C@H](NC(=O)NCC[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000905566823 712080162 /nfs/dbraw/zinc/08/01/62/712080162.db2.gz AQFDRYRYXNHILO-MNOVXSKESA-N -1 0 320.336 1.767 20 30 DDEDRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)C#N)C(=O)[O-] ZINC000905995786 712214548 /nfs/dbraw/zinc/21/45/48/712214548.db2.gz AHKARDHOYQUADE-VXGBXAGGSA-N -1 0 316.423 1.831 20 30 DDEDRM C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000906948625 712446342 /nfs/dbraw/zinc/44/63/42/712446342.db2.gz WDZQBBNGJZIZSB-UHFFFAOYSA-N -1 0 307.371 1.517 20 30 DDEDRM C#C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906957171 712448889 /nfs/dbraw/zinc/44/88/89/712448889.db2.gz LMOHETJREVDFGQ-SNVBAGLBSA-N -1 0 307.371 1.516 20 30 DDEDRM C#C[C@@H](CCC)NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000906957621 712449259 /nfs/dbraw/zinc/44/92/59/712449259.db2.gz QCKJEXLGQRLAEQ-JTQLQIEISA-N -1 0 313.350 1.913 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C(=O)[O-] ZINC000907744003 712621221 /nfs/dbraw/zinc/62/12/21/712621221.db2.gz NNNXXTROYSUMCO-SSDOTTSWSA-N -1 0 307.684 1.683 20 30 DDEDRM C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1(C(=O)[O-])CCOCC1 ZINC000907919910 712648414 /nfs/dbraw/zinc/64/84/14/712648414.db2.gz WGUUXVUCCCUSRA-SJCJKPOMSA-N -1 0 320.389 1.847 20 30 DDEDRM C=CCCn1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])nn1 ZINC000908292568 712730063 /nfs/dbraw/zinc/73/00/63/712730063.db2.gz PYZLAIXNFOEBFL-ZDUSSCGKSA-N -1 0 320.393 1.865 20 30 DDEDRM C#C[C@](C)(CC)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000908528758 712798529 /nfs/dbraw/zinc/79/85/29/712798529.db2.gz BNNGYOFXUGQZJF-MRXNPFEDSA-N -1 0 313.361 1.104 20 30 DDEDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)NCC#Cc1ccccc1 ZINC000908768169 712851025 /nfs/dbraw/zinc/85/10/25/712851025.db2.gz GNHYHFYNVNHNSO-LSDHHAIUSA-N -1 0 316.357 1.360 20 30 DDEDRM CCCN(C(=O)NCC#Cc1ccccc1)[C@@H](COC)C(=O)[O-] ZINC000908769463 712851241 /nfs/dbraw/zinc/85/12/41/712851241.db2.gz YMDPYUKSLCBSLN-HNNXBMFYSA-N -1 0 318.373 1.559 20 30 DDEDRM C=CCC[C@H](NC(=O)NCc1ccc([C@H](C)O)cc1)C(=O)[O-] ZINC000908860623 712872044 /nfs/dbraw/zinc/87/20/44/712872044.db2.gz JMGSYAOIZFYOIQ-FZMZJTMJSA-N -1 0 306.362 1.959 20 30 DDEDRM Cc1cc(C)nc(SCC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1 ZINC000914858653 713402965 /nfs/dbraw/zinc/40/29/65/713402965.db2.gz YIMPBZLJOKZQEC-UHFFFAOYSA-N -1 0 313.346 1.291 20 30 DDEDRM C#CCOc1ccccc1C=Nn1c(=O)c(C)n[n-]c1=S ZINC000916303610 713450243 /nfs/dbraw/zinc/45/02/43/713450243.db2.gz ICNINYWHFXQKRE-UHFFFAOYSA-N -1 0 300.343 1.130 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1csc2c1CCCC2 ZINC000916892220 713472881 /nfs/dbraw/zinc/47/28/81/713472881.db2.gz JDHBEHIAPXPIIL-LLVKDONJSA-N -1 0 306.387 1.712 20 30 DDEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(N2CCOC2=O)cc1 ZINC000916951865 713475670 /nfs/dbraw/zinc/47/56/70/713475670.db2.gz NWPBDMRLACCUNB-ZDUSSCGKSA-N -1 0 315.329 1.490 20 30 DDEDRM CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000917002991 713477775 /nfs/dbraw/zinc/47/77/75/713477775.db2.gz VFSVZJGZNOZEKL-VXNVDRBHSA-N -1 0 303.343 1.188 20 30 DDEDRM C=CCCC[C@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-] ZINC000929016469 713528463 /nfs/dbraw/zinc/52/84/63/713528463.db2.gz DHTCMWPAQJDSLI-ZDUSSCGKSA-N -1 0 314.382 1.291 20 30 DDEDRM CC(C)Cn1[n-]c(CC(=O)N(CCC#N)CC2CC2)cc1=O ZINC000931938709 714216796 /nfs/dbraw/zinc/21/67/96/714216796.db2.gz UKTXPNFHWKOEDV-UHFFFAOYSA-N -1 0 304.394 1.527 20 30 DDEDRM N#C[C@]1(C(=O)N[C@@H](CC(F)F)C(=O)[O-])CC2CCC1CC2 ZINC000923080303 714231116 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Cc1ccoc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001212042156 741951166 /nfs/dbraw/zinc/95/11/66/741951166.db2.gz ACGGTILLWJRCAT-UHFFFAOYSA-N -1 0 321.314 1.846 20 30 DDEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181206070 743104794 /nfs/dbraw/zinc/10/47/94/743104794.db2.gz KRTCQGJKCLUDGM-LLVKDONJSA-N -1 0 319.342 1.141 20 30 DDEDRM CCOC(=O)c1c(C)[nH]nc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184242126 743999796 /nfs/dbraw/zinc/99/97/96/743999796.db2.gz ZHFZQJMUBCYTDI-UHFFFAOYSA-N -1 0 316.337 1.883 20 30 DDEDRM CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ncccc1O ZINC001184845438 744113246 /nfs/dbraw/zinc/11/32/46/744113246.db2.gz LCHIUDVPPFIJRT-UHFFFAOYSA-N -1 0 320.349 1.876 20 30 DDEDRM C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnnn1C ZINC001120771288 744450650 /nfs/dbraw/zinc/45/06/50/744450650.db2.gz ANHSPZWFSBQUCW-ZPORPUSKSA-N -1 0 310.701 1.657 20 30 DDEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)CCOCC ZINC001187286405 744534400 /nfs/dbraw/zinc/53/44/00/744534400.db2.gz 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DSBGOWHATAVFBN-JQWIXIFHSA-N -1 0 320.393 1.357 20 30 DDEDRM N#C[C@@H]1CNCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805835 773606490 /nfs/dbraw/zinc/60/64/90/773606490.db2.gz WJUZKJCSEYEQRU-MRVPVSSYSA-N -1 0 300.145 1.637 20 30 DDEDRM C#CC1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CC1 ZINC001148926930 773652796 /nfs/dbraw/zinc/65/27/96/773652796.db2.gz VTTWLYAIYUHHAF-UHFFFAOYSA-N -1 0 309.343 1.124 20 30 DDEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000586148439 773755854 /nfs/dbraw/zinc/75/58/54/773755854.db2.gz YVTMEVNTKYZKAD-UHFFFAOYSA-N -1 0 311.359 1.182 20 30 DDEDRM N#CCN(Cc1ccccc1)C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180173837 779633953 /nfs/dbraw/zinc/63/39/53/779633953.db2.gz MCWUQEDRVDALQM-UHFFFAOYSA-N -1 0 318.226 1.894 20 30 DDEDRM C=CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OCC ZINC001116588301 780528293 /nfs/dbraw/zinc/52/82/93/780528293.db2.gz CKKHXZNKRBGTFM-SNVBAGLBSA-N -1 0 308.290 1.538 20 30 DDEDRM C=CC[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] 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1.428 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC001326929443 861724443 /nfs/dbraw/zinc/72/44/43/861724443.db2.gz FAVAVPQKPADHOY-ZDUSSCGKSA-N -1 0 310.325 1.795 20 30 DDEDRM C=CC[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(=O)[O-] ZINC001326929449 861724471 /nfs/dbraw/zinc/72/44/71/861724471.db2.gz FGEWPWHZDDXEOK-GFCCVEGCSA-N -1 0 315.333 1.633 20 30 DDEDRM C=CC[C@@H](NC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1)C(=O)[O-] ZINC001327012439 861794965 /nfs/dbraw/zinc/79/49/65/861794965.db2.gz CIXXJCXKMOWRQE-CYBMUJFWSA-N -1 0 315.329 1.645 20 30 DDEDRM C=CCN1CC2(CN(Cc3c(F)ccc(F)c3[O-])C2)OCC1=O ZINC001273205614 848755801 /nfs/dbraw/zinc/75/58/01/848755801.db2.gz APJYNLRPHIFCOW-UHFFFAOYSA-N -1 0 324.327 1.270 20 30 DDEDRM C=CC[C@@H](NS(=O)(=O)C[C@H](OC)C1CCCCC1)C(=O)[O-] ZINC001327386211 862126738 /nfs/dbraw/zinc/12/67/38/862126738.db2.gz ISGGESGYEJBBMJ-OLZOCXBDSA-N -1 0 319.423 1.530 20 30 DDEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2[nH]cnc2C12CCC2 ZINC001412555770 854719125 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ZINC001062806890 753730915 /nfs/dbraw/zinc/73/09/15/753730915.db2.gz WTZMSGGTJFBCOV-UHFFFAOYSA-N -1 0 306.366 1.159 20 30 DDEDRM CC(=NC#N)N(C)Cc1ccc(NCc2cc(=O)[n-]o2)nc1 ZINC001169480681 762442792 /nfs/dbraw/zinc/44/27/92/762442792.db2.gz IUDCAGUZGQTIIK-VCHYOVAHSA-N -1 0 300.322 1.719 20 30 DDEDRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@](C)(C#N)C2)cc1=O ZINC000826679644 759297820 /nfs/dbraw/zinc/29/78/20/759297820.db2.gz HRSAIZJHEGCJHZ-INIZCTEOSA-N -1 0 304.394 1.527 20 30 DDEDRM C=CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001050269370 763395751 /nfs/dbraw/zinc/39/57/51/763395751.db2.gz SXJRVVUSVOOESE-PWSUYJOCSA-N -1 0 320.393 1.357 20 30 DDEDRM N#Cc1ccc(N2CCC(NC(=O)c3ncccc3O)CC2)cn1 ZINC001057861526 766104381 /nfs/dbraw/zinc/10/43/81/766104381.db2.gz AUDGQWPNOCQMJB-UHFFFAOYSA-N -1 0 323.356 1.453 20 30 DDEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC[C@H](CF)C1 ZINC001121643858 782609353 /nfs/dbraw/zinc/60/93/53/782609353.db2.gz JKHJSWUTBHGSDZ-LLVKDONJSA-N -1 0 320.372 1.756 20 30 DDEDRM C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330446 768758481 /nfs/dbraw/zinc/75/84/81/768758481.db2.gz HKGNNZJNFGIUAQ-VXGBXAGGSA-N -1 0 321.425 1.582 20 30 DDEDRM C=CCCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001071908833 770265260 /nfs/dbraw/zinc/26/52/60/770265260.db2.gz CGGIISMCFUMWBI-PWSUYJOCSA-N -1 0 320.393 1.357 20 30 DDEDRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148621914 773555460 /nfs/dbraw/zinc/55/54/60/773555460.db2.gz ATFSDDVIHPTGCO-GWCFXTLKSA-N -1 0 318.329 1.450 20 30 DDEDRM Cn1ccc(C(=O)N/C=C/C(=O)C(F)(F)F)c1CC(=O)[O-] ZINC001177369891 778551813 /nfs/dbraw/zinc/55/18/13/778551813.db2.gz WKWKVVZLZRFUET-DUXPYHPUSA-N -1 0 304.224 1.027 20 30 DDEDRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])Nc1ncccc1C#N ZINC001103046363 778594105 /nfs/dbraw/zinc/59/41/05/778594105.db2.gz RPEXQASPQHOJKZ-LLVKDONJSA-N -1 0 314.349 1.311 20 30 DDEDRM C=CC[C@@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)C(=O)[O-] ZINC001116906856 780575440 /nfs/dbraw/zinc/57/54/40/780575440.db2.gz WRUOGISLKSZUHP-CQSZACIVSA-N -1 0 302.330 1.865 20 30 DDEDRM C=CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001116906841 780575449 /nfs/dbraw/zinc/57/54/49/780575449.db2.gz WLFGJEWYLHBIGN-NSHDSACASA-N -1 0 312.709 1.936 20 30 DDEDRM C=C1[C@@H]2C[C@H](C[C@@H]1NS(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C2(C)C ZINC001465115615 804155233 /nfs/dbraw/zinc/15/52/33/804155233.db2.gz LIJFATXFJFXRLZ-QNWJLWSRSA-N -1 0 313.419 1.760 20 30 DDEDRM C=CCC1(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001266416893 836226857 /nfs/dbraw/zinc/22/68/57/836226857.db2.gz POVOCRCJRFFOIP-UHFFFAOYSA-N -1 0 307.398 1.195 20 30 DDEDRM COc1ccc2cc([O-])c(C(=O)n3nc(N)c(C#N)c3N)cc2c1 ZINC001154749407 861421477 /nfs/dbraw/zinc/42/14/77/861421477.db2.gz KVJLFAJPGQDNKI-UHFFFAOYSA-N -1 0 323.312 1.475 20 30 DDEDRM Cn1ncc(C(=O)[O-])c1CN=Nc1ccc(C(C)(C)C)nn1 ZINC001326828208 861638564 /nfs/dbraw/zinc/63/85/64/861638564.db2.gz KHHNYGPCQGBDGI-UHFFFAOYSA-N -1 0 302.338 1.652 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC001326929441 861725240 /nfs/dbraw/zinc/72/52/40/861725240.db2.gz FAVAVPQKPADHOY-CYBMUJFWSA-N -1 0 310.325 1.795 20 30 DDEDRM C=CC[C@@H](NC(=O)[C@H]1COc2cc(OC)ccc2C1)C(=O)[O-] ZINC001327014464 861795597 /nfs/dbraw/zinc/79/55/97/861795597.db2.gz WDUHJPBBZGJFRY-DGCLKSJQSA-N -1 0 305.330 1.392 20 30 DDEDRM N#Cc1cn(CC(=O)Nc2cccc3ccncc32)c(=O)[n-]c1=O ZINC001149818226 861917414 /nfs/dbraw/zinc/91/74/14/861917414.db2.gz BVKYPGOESCAZKJ-UHFFFAOYSA-N -1 0 321.296 1.007 20 30 DDEDRM C=CCN1C(=O)COCC12CN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001274030649 851868062 /nfs/dbraw/zinc/86/80/62/851868062.db2.gz STIUBANNDJGJCA-UHFFFAOYSA-N -1 0 324.327 1.270 20 30 DDEDRM CN1CCO[C@]2(CCCN(C(=O)c3ccc([O-])c(C#N)c3)C2)C1 ZINC001275708490 853605275 /nfs/dbraw/zinc/60/52/75/853605275.db2.gz YTUSFKSBRHGJOY-QGZVFWFLSA-N -1 0 315.373 1.201 20 30 DDEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC001411841581 853816798 /nfs/dbraw/zinc/81/67/98/853816798.db2.gz YXIUUXSGQWEIIK-OAHLLOKOSA-N -1 0 317.370 1.666 20 30 DDEDRM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001412189017 854308582 /nfs/dbraw/zinc/30/85/82/854308582.db2.gz KBKJTFHZIUGDJN-CABZTGNLSA-N -1 0 321.402 1.614 20 30 DDEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cccc2c1OCCO2 ZINC001412777288 855259599 /nfs/dbraw/zinc/25/95/99/855259599.db2.gz VWMNSNWIVXSRDW-UHFFFAOYSA-N -1 0 311.297 1.991 20 30 DDEDRM N#Cc1cccc(O[N-]C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC001151424761 862771440 /nfs/dbraw/zinc/77/14/40/862771440.db2.gz HRDSHJPHQSOMBI-UHFFFAOYSA-N -1 0 313.269 1.955 20 30 DDEDRM CCOCc1nc(C)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1 ZINC001413198846 856539934 /nfs/dbraw/zinc/53/99/34/856539934.db2.gz ZFZQLWKIOOLRJL-UHFFFAOYSA-N -1 0 316.346 1.707 20 30 DDEDRM C#CCC1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CCC1 ZINC001156396262 863007460 /nfs/dbraw/zinc/00/74/60/863007460.db2.gz QZRMIRXCDCSWHX-UHFFFAOYSA-N -1 0 312.329 1.420 20 30 DDEDRM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCO[C@H](C)C1 ZINC001122490447 858849709 /nfs/dbraw/zinc/84/97/09/858849709.db2.gz XKGVNLISNGPLQA-LLVKDONJSA-N -1 0 318.381 1.185 20 30 DDEDRM CCOc1cccc(CC(=O)C(C#N)=C([O-])c2nccn2C)n1 ZINC001122646228 858926018 /nfs/dbraw/zinc/92/60/18/858926018.db2.gz CLCPJWCQYNVQPA-LBPRGKRZSA-N -1 0 312.329 1.348 20 30 DDEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)c21 ZINC001138658784 860156422 /nfs/dbraw/zinc/15/64/22/860156422.db2.gz DVSLCJZAYIVIEP-NSHDSACASA-N -1 0 321.344 1.572 20 30 DDEDRM C=C[C@@H](O)C(=O)[N-]OCc1ccc(F)cc1Br ZINC001154435941 861103088 /nfs/dbraw/zinc/10/30/88/861103088.db2.gz JGPBHMHXBXIFSP-SNVBAGLBSA-N -1 0 304.115 1.683 20 30 DDEDRM N#Cc1cc(NC(=O)c2cnc3n(c2=O)CCS3)ccc1O ZINC001152504815 863401035 /nfs/dbraw/zinc/40/10/35/863401035.db2.gz VSWHQTCYKDGZQD-UHFFFAOYSA-N -1 0 314.326 1.179 20 30 DDEDRM COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])O1 ZINC001153000660 863644765 /nfs/dbraw/zinc/64/47/65/863644765.db2.gz WSFMESCCALEOHD-SMDDNHRTSA-N -1 0 318.329 1.703 20 30 DDEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(F)c(F)c1 ZINC001225314184 881776877 /nfs/dbraw/zinc/77/68/77/881776877.db2.gz ZCYJQSLUSOZQBM-JTQLQIEISA-N -1 0 308.302 1.803 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001331218676 864947900 /nfs/dbraw/zinc/94/79/00/864947900.db2.gz AOHZSOQJRSKMHL-AXFHLTTASA-N -1 0 318.320 1.471 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C(=O)[O-] ZINC001332590684 865961362 /nfs/dbraw/zinc/96/13/62/865961362.db2.gz JSRBRBPTABMAOU-LLVKDONJSA-N -1 0 322.327 1.796 20 30 DDEDRM N#CC1(c2ccc(NCC(=O)CCC(=O)[O-])nc2)CCOCC1 ZINC001160874190 866161152 /nfs/dbraw/zinc/16/11/52/866161152.db2.gz HKULKVJZYOOPIA-UHFFFAOYSA-N -1 0 317.345 1.499 20 30 DDEDRM C=C[C@H](COC)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001320327509 866646843 /nfs/dbraw/zinc/64/68/43/866646843.db2.gz IKXYHZXAGXSHHR-SNVBAGLBSA-N -1 0 319.386 1.153 20 30 DDEDRM C=CC[C@@H](NC(=O)N[C@@H]1CCOc2c(F)cccc21)C(=O)[O-] ZINC001333659438 866910423 /nfs/dbraw/zinc/91/04/23/866910423.db2.gz KUAOJOQKYMUPPJ-VXGBXAGGSA-N -1 0 308.309 1.978 20 30 DDEDRM C=CC[C@@H](NC(=O)NCCn1cnc2ccccc21)C(=O)[O-] ZINC001334183242 867361594 /nfs/dbraw/zinc/36/15/94/867361594.db2.gz URUSKMQCSDUVSO-GFCCVEGCSA-N -1 0 302.334 1.365 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)NCCOc1ccc2c(c1)CCC2 ZINC001321583376 867679061 /nfs/dbraw/zinc/67/90/61/867679061.db2.gz QDOJCBODQDYQJR-UHFFFAOYSA-N -1 0 318.373 1.836 20 30 DDEDRM C=CCCOCC(=O)[N-]S(=O)(=O)N(CC)c1ccccc1 ZINC001321863045 867838938 /nfs/dbraw/zinc/83/89/38/867838938.db2.gz HZFXFEUNNFBTES-UHFFFAOYSA-N -1 0 312.391 1.467 20 30 DDEDRM C=CCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC1(C)C ZINC001335223665 868152089 /nfs/dbraw/zinc/15/20/89/868152089.db2.gz ZMJUJDPYXOESJT-NSHDSACASA-N -1 0 320.393 1.357 20 30 DDEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC001361686103 882159049 /nfs/dbraw/zinc/15/90/49/882159049.db2.gz KULQTISRMTZZSK-SECBINFHSA-N -1 0 304.350 1.000 20 30 DDEDRM C=CC[C@@H](NC(=O)NCCN1c2ccccc2C[C@H]1C)C(=O)[O-] ZINC001322515312 868217788 /nfs/dbraw/zinc/21/77/88/868217788.db2.gz WLNHEMKRANYUHD-TZMCWYRMSA-N -1 0 317.389 1.766 20 30 DDEDRM N#CC1(c2cccc(N[C@@H]3SC(=O)[N-]C3=O)c2)CCOCC1 ZINC001163673255 868616970 /nfs/dbraw/zinc/61/69/70/868616970.db2.gz WWFDCDRROQAXRO-CYBMUJFWSA-N -1 0 317.370 1.979 20 30 DDEDRM C=CCO[C@H]1CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC001337693405 869598401 /nfs/dbraw/zinc/59/84/01/869598401.db2.gz IQFMYHQCNHNFOH-NSHDSACASA-N -1 0 319.386 1.798 20 30 DDEDRM C=C1CC(C)(C(=O)N[C@@H](CC)CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001297386244 870022046 /nfs/dbraw/zinc/02/20/46/870022046.db2.gz KKTHNMLMRTVODY-NSHDSACASA-N -1 0 320.393 1.405 20 30 DDEDRM C=CCn1c(-c2c[nH][nH]c2=O)nnc1N1CCCO[C@@H](C)C1 ZINC001338870465 870214765 /nfs/dbraw/zinc/21/47/65/870214765.db2.gz HFJXMINELFJCNL-JTQLQIEISA-N -1 0 304.354 1.175 20 30 DDEDRM C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C)(F)CC1 ZINC001338946616 870260885 /nfs/dbraw/zinc/26/08/85/870260885.db2.gz SYXVSSKWIAKVJC-UHFFFAOYSA-N -1 0 306.345 1.017 20 30 DDEDRM C=C(C)C[C@@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001298349225 870492624 /nfs/dbraw/zinc/49/26/24/870492624.db2.gz URLKPDASTPOMJL-ISALQUGTSA-N -1 0 320.393 1.428 20 30 DDEDRM C=CC[C@H](NC(=O)N(CCOC)CCC(=O)[O-])c1ccncc1 ZINC001339714974 870651057 /nfs/dbraw/zinc/65/10/57/870651057.db2.gz GUNXWSQINSFOIV-AWEZNQCLSA-N -1 0 321.377 1.832 20 30 DDEDRM C=C1CCC(CNC(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001339803498 870702002 /nfs/dbraw/zinc/70/20/02/870702002.db2.gz OZAJHWVKEVFFSJ-UHFFFAOYSA-N -1 0 314.382 1.150 20 30 DDEDRM C=CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CCCC)C(=O)[O-] ZINC001339864670 870745113 /nfs/dbraw/zinc/74/51/13/870745113.db2.gz DTXKLXVVSFABEZ-GHMZBOCLSA-N -1 0 314.407 1.224 20 30 DDEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC[C@@H](OC)C1 ZINC001340479566 871138442 /nfs/dbraw/zinc/13/84/42/871138442.db2.gz GDTSZBGNVWEGPU-LLVKDONJSA-N -1 0 318.381 1.185 20 30 DDEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCOC(=O)C(C)(C)C ZINC001205250382 871462854 /nfs/dbraw/zinc/46/28/54/871462854.db2.gz RRUBTPRZEMWDEL-JTQLQIEISA-N -1 0 310.368 1.009 20 30 DDEDRM C=C(C)C[C@@H](CO)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001341382377 871631991 /nfs/dbraw/zinc/63/19/91/871631991.db2.gz YWGGIQZZWWINPG-WMLDXEAASA-N -1 0 320.389 1.655 20 30 DDEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001342181090 872053910 /nfs/dbraw/zinc/05/39/10/872053910.db2.gz WVSBZPNRHSKFIR-NEPJUHHUSA-N -1 0 318.381 1.184 20 30 DDEDRM CC(C)CCC[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361885232 882574181 /nfs/dbraw/zinc/57/41/81/882574181.db2.gz VLQGEVVIFOOKCV-NSHDSACASA-N -1 0 306.366 1.152 20 30 DDEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cn2c(n1)CCCC2 ZINC001342598710 872288748 /nfs/dbraw/zinc/28/87/48/872288748.db2.gz VZBMBWSMJSZDBX-CQSZACIVSA-N -1 0 322.368 1.858 20 30 DDEDRM Cc1cc(Cn2nnc(C([O-])=C(C#N)c3ccncn3)c2C)on1 ZINC001342693162 872336455 /nfs/dbraw/zinc/33/64/55/872336455.db2.gz 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317.223 1.115 20 30 DDEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803002853 701076073 /nfs/dbraw/zinc/07/60/73/701076073.db2.gz NDRAJEZBEIZEQK-OCCSQVGLSA-N -1 0 319.423 1.088 20 30 DDEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1=C(C)CCC1 ZINC000766980881 701076222 /nfs/dbraw/zinc/07/62/22/701076222.db2.gz BJCHZXCFWNQCOE-UHFFFAOYSA-N -1 0 320.370 1.872 20 30 DDEDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000766991157 701077104 /nfs/dbraw/zinc/07/71/04/701077104.db2.gz VCMOKIXLGONZBR-UHFFFAOYSA-N -1 0 308.359 1.562 20 30 DDEDRM O=C([O-])Cn1cc(C=NNCc2cnc3ccccc3c2)nn1 ZINC000768482703 701182229 /nfs/dbraw/zinc/18/22/29/701182229.db2.gz FJPHOIIZRCVEOH-UHFFFAOYSA-N -1 0 310.317 1.035 20 30 DDEDRM O=C([O-])Cn1cc(C=NNc2ccc(Br)cc2)nn1 ZINC000768482003 701182264 /nfs/dbraw/zinc/18/22/64/701182264.db2.gz GNMVGISTNLVKSM-UHFFFAOYSA-N -1 0 324.138 1.571 20 30 DDEDRM Cc1ccncc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000768761071 701200357 /nfs/dbraw/zinc/20/03/57/701200357.db2.gz 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701762944 /nfs/dbraw/zinc/76/29/44/701762944.db2.gz DFVRRLVDTJSMLP-UHFFFAOYSA-N -1 0 314.363 1.008 20 30 DDEDRM CC(=NNCC(=O)[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000814958773 701776166 /nfs/dbraw/zinc/77/61/66/701776166.db2.gz QGGUFDQOVBOOGS-UHFFFAOYSA-N -1 0 324.402 1.801 20 30 DDEDRM COc1cc(C(C)=NNC[C@@H](C)O)ccc1OCCCC(=O)[O-] ZINC000814964951 701777421 /nfs/dbraw/zinc/77/74/21/701777421.db2.gz GIGZLJGCKBRZDI-LLVKDONJSA-N -1 0 324.377 1.633 20 30 DDEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000810517786 701782241 /nfs/dbraw/zinc/78/22/41/701782241.db2.gz TXFDSNQBOFAKAP-UHFFFAOYSA-N -1 0 324.361 1.587 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)CO2 ZINC000810529579 701783976 /nfs/dbraw/zinc/78/39/76/701783976.db2.gz JUOIXIHBDSAUBH-LBPRGKRZSA-N -1 0 316.357 1.442 20 30 DDEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000810563922 701789991 /nfs/dbraw/zinc/78/99/91/701789991.db2.gz XYVNDLGAGDSLFY-UHFFFAOYSA-N -1 0 320.414 1.455 20 30 DDEDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c1 ZINC000810626920 701804387 /nfs/dbraw/zinc/80/43/87/701804387.db2.gz KBYWWDHXGNOVLE-UHFFFAOYSA-N -1 0 319.317 1.520 20 30 DDEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nc1 ZINC000810692409 701822434 /nfs/dbraw/zinc/82/24/34/701822434.db2.gz NOVVXNYLLSSGJD-UHFFFAOYSA-N -1 0 321.402 1.958 20 30 DDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2nccc2C)cc1 ZINC000810773538 701843491 /nfs/dbraw/zinc/84/34/91/701843491.db2.gz BJDHGJRKUXOBOX-UHFFFAOYSA-N -1 0 317.370 1.264 20 30 DDEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000810776515 701845388 /nfs/dbraw/zinc/84/53/88/701845388.db2.gz WOCBAAPZIPFARZ-LBPRGKRZSA-N -1 0 309.387 1.658 20 30 DDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccc(C)n2)cc1 ZINC000810777924 701846328 /nfs/dbraw/zinc/84/63/28/701846328.db2.gz QUHHCJVVSYREDZ-UHFFFAOYSA-N -1 0 317.370 1.264 20 30 DDEDRM C#CCCS(=O)(=O)[N-]C(=O)CCc1cccc(OC)c1F ZINC000810780896 701847106 /nfs/dbraw/zinc/84/71/06/701847106.db2.gz WGUUDUHRTQGUOU-UHFFFAOYSA-N -1 0 313.350 1.236 20 30 DDEDRM C#CCCS(=O)(=O)[N-]C(=O)Cc1csc2ccccc12 ZINC000810781500 701847752 /nfs/dbraw/zinc/84/77/52/701847752.db2.gz CXGWHUPODZVLET-UHFFFAOYSA-N -1 0 307.396 1.913 20 30 DDEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000810783212 701849298 /nfs/dbraw/zinc/84/92/98/701849298.db2.gz IYMISIVJKQBIFZ-OLZOCXBDSA-N -1 0 301.408 1.297 20 30 DDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000810982976 701888638 /nfs/dbraw/zinc/88/86/38/701888638.db2.gz BOPJRBHEYPMHGH-UHFFFAOYSA-N -1 0 311.407 1.806 20 30 DDEDRM C#CCOc1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000831041888 706625832 /nfs/dbraw/zinc/62/58/32/706625832.db2.gz JASNTDYCPPZRES-KGLIPLIRSA-N -1 0 316.357 1.751 20 30 DDEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000815899486 701961834 /nfs/dbraw/zinc/96/18/34/701961834.db2.gz SIHBHOZXTPKCMD-UHFFFAOYSA-N -1 0 300.286 1.464 20 30 DDEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(F)F ZINC000815950730 701974494 /nfs/dbraw/zinc/97/44/94/701974494.db2.gz GQEADYFSKSPDKR-SECBINFHSA-N -1 0 316.329 1.963 20 30 DDEDRM C#CCO[N-]C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000812781588 702235585 /nfs/dbraw/zinc/23/55/85/702235585.db2.gz AYYSZGAGTLTWEA-UHFFFAOYSA-N -1 0 304.390 1.390 20 30 DDEDRM C#CCO[N-]C(=O)[C@@](N)(c1ccccc1OC)C(F)(F)F ZINC000812785690 702237158 /nfs/dbraw/zinc/23/71/58/702237158.db2.gz DQAXHHNECSXLBN-LBPRGKRZSA-N -1 0 302.252 1.093 20 30 DDEDRM Cc1cccc(NC(=O)C(=O)[N-]OCCOC(C)C)c1C#N ZINC000813056303 702279533 /nfs/dbraw/zinc/27/95/33/702279533.db2.gz SHTLYQYRZPDPGC-UHFFFAOYSA-N -1 0 305.334 1.278 20 30 DDEDRM N#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000813079835 702285437 /nfs/dbraw/zinc/28/54/37/702285437.db2.gz ANIYVNANIKTKPH-UHFFFAOYSA-N -1 0 308.359 1.510 20 30 DDEDRM C#CCCCS(=O)(=O)[N-]c1nnc(Cc2ccccc2)o1 ZINC000840948131 702290351 /nfs/dbraw/zinc/29/03/51/702290351.db2.gz QYYZFSTZASCQEM-UHFFFAOYSA-N -1 0 305.359 1.816 20 30 DDEDRM C#CCCCS(=O)(=O)[N-]c1cccc(C)c1S(C)(=O)=O ZINC000840955347 702292832 /nfs/dbraw/zinc/29/28/32/702292832.db2.gz VMWXOMKXQDWNEE-UHFFFAOYSA-N -1 0 315.416 1.554 20 30 DDEDRM Cc1nsc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1C#N ZINC000866284813 706664702 /nfs/dbraw/zinc/66/47/02/706664702.db2.gz SUURWPHEPPJDEM-LLVKDONJSA-N -1 0 318.324 1.971 20 30 DDEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCCC1 ZINC000813981264 702452531 /nfs/dbraw/zinc/45/25/31/702452531.db2.gz WYLXOBNHUBZGNQ-JTQLQIEISA-N -1 0 307.375 1.584 20 30 DDEDRM N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000813984168 702453336 /nfs/dbraw/zinc/45/33/36/702453336.db2.gz LYZNQZFSJDLUOS-VIFPVBQESA-N -1 0 315.301 1.194 20 30 DDEDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813983831 702453478 /nfs/dbraw/zinc/45/34/78/702453478.db2.gz DUKJGWQKKQWKGL-SNVBAGLBSA-N -1 0 309.391 1.830 20 30 DDEDRM O=c1[n-][nH]c(=O)n1N=Cc1c(F)ccc(Br)c1F ZINC000814232264 702500316 /nfs/dbraw/zinc/50/03/16/702500316.db2.gz PMPDHFVQAZRLIC-UHFFFAOYSA-N -1 0 319.065 1.612 20 30 DDEDRM CC(=Nn1c(=O)[n-][nH]c1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000814233522 702500780 /nfs/dbraw/zinc/50/07/80/702500780.db2.gz UMNYENBIFHSTSZ-UHFFFAOYSA-N -1 0 302.121 1.851 20 30 DDEDRM O=c1[n-][nH]c(=O)n1N=Cc1c(F)cccc1OC(F)(F)F ZINC000814233254 702501057 /nfs/dbraw/zinc/50/10/57/702501057.db2.gz IHCXJFBVUDIWNG-UHFFFAOYSA-N -1 0 306.175 1.609 20 30 DDEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)=O)s1 ZINC000842286040 702697366 /nfs/dbraw/zinc/69/73/66/702697366.db2.gz VDBNJPPQQPURQK-JTQLQIEISA-N -1 0 307.375 1.975 20 30 DDEDRM CCOc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)CCC#N)cc1 ZINC000842354878 702707729 /nfs/dbraw/zinc/70/77/29/702707729.db2.gz SUIVLTUEMXEARJ-GFCCVEGCSA-N -1 0 324.402 1.624 20 30 DDEDRM C=CCC[C@H](NC(=O)NC1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000843289837 702854659 /nfs/dbraw/zinc/85/46/59/702854659.db2.gz BOJHLUSKVLHKTK-LBPRGKRZSA-N -1 0 312.366 1.391 20 30 DDEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CC[C@]2(O)CCOC2)c1[O-] ZINC000844271763 703002306 /nfs/dbraw/zinc/00/23/06/703002306.db2.gz RWZFHJMTUKWUMD-XKBFBRDOSA-N -1 0 314.725 1.914 20 30 DDEDRM C#CCCCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC000844294189 703006668 /nfs/dbraw/zinc/00/66/68/703006668.db2.gz JADHYVBJNCIDQD-IHRRRGAJSA-N -1 0 310.394 1.748 20 30 DDEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000844655797 703051629 /nfs/dbraw/zinc/05/16/29/703051629.db2.gz BNULLYNDDFHDGV-UHFFFAOYSA-N -1 0 312.347 1.772 20 30 DDEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844806770 703075491 /nfs/dbraw/zinc/07/54/91/703075491.db2.gz XKXUCDMLKUFWLS-ZETCQYMHSA-N -1 0 322.745 1.572 20 30 DDEDRM CC(=O)NCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833702 703208154 /nfs/dbraw/zinc/20/81/54/703208154.db2.gz HVGGDSAPFBXGHA-LLVKDONJSA-N -1 0 304.371 1.655 20 30 DDEDRM N#Cc1ccc([O-])c(NC(=O)C2(n3cnnn3)CCCCC2)c1 ZINC000845888145 703212503 /nfs/dbraw/zinc/21/25/03/703212503.db2.gz SDUHONIYFWDHQV-UHFFFAOYSA-N -1 0 312.333 1.548 20 30 DDEDRM C=C(C)CO[N-]C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000846150687 703243028 /nfs/dbraw/zinc/24/30/28/703243028.db2.gz MITXKBXGCUHTPL-CYBMUJFWSA-N -1 0 315.373 1.626 20 30 DDEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000846153458 703243753 /nfs/dbraw/zinc/24/37/53/703243753.db2.gz ZHONAMWPLOTVEZ-JTQLQIEISA-N -1 0 305.334 1.514 20 30 DDEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000846155377 703244302 /nfs/dbraw/zinc/24/43/02/703244302.db2.gz SOUKUQLZCYUDAR-LLVKDONJSA-N -1 0 320.345 1.353 20 30 DDEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000846156567 703244591 /nfs/dbraw/zinc/24/45/91/703244591.db2.gz NDWYIWJPMUPZDG-SNVBAGLBSA-N -1 0 307.306 1.772 20 30 DDEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000846540260 703293876 /nfs/dbraw/zinc/29/38/76/703293876.db2.gz YFHCKZLZIXURBX-NSHDSACASA-N -1 0 310.300 1.942 20 30 DDEDRM Cc1cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ncc1C#N ZINC000847134333 703379917 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N#C[C@@H](C(=O)CC1(NC(=O)[O-])CCC1)C(=O)NC1CCCCC1 ZINC000831064638 604253856 /nfs/dbraw/zinc/25/38/56/604253856.db2.gz KUQJQTLQJPTTKS-LBPRGKRZSA-N -1 0 321.377 1.725 20 30 DDEDRM C#Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000823466914 604260579 /nfs/dbraw/zinc/26/05/79/604260579.db2.gz LORAVQRRMVXLJT-DGCLKSJQSA-N -1 0 301.346 1.571 20 30 DDEDRM C#CCN(CC#CC)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823451463 604382884 /nfs/dbraw/zinc/38/28/84/604382884.db2.gz VYYWNDLZGGNJJT-LSDHHAIUSA-N -1 0 304.390 1.888 20 30 DDEDRM CC(C)C[C@H](C#N)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833474496 604539826 /nfs/dbraw/zinc/53/98/26/604539826.db2.gz QQZMWVGADFTQRB-MRVPVSSYSA-N -1 0 302.377 1.663 20 30 DDEDRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(F)cc1OCC#N ZINC000824874050 604562704 /nfs/dbraw/zinc/56/27/04/604562704.db2.gz MTSMRTPZFVABKT-VIFPVBQESA-N -1 0 309.297 1.912 20 30 DDEDRM N#CCOc1ccc(CC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833067936 604568924 /nfs/dbraw/zinc/56/89/24/604568924.db2.gz KKZJEBNPBYCKEG-CYBMUJFWSA-N -1 0 302.330 1.597 20 30 DDEDRM CC(=O)N[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C(C)C ZINC000833395564 604579815 /nfs/dbraw/zinc/57/98/15/604579815.db2.gz OPINJKAKYCXPRY-AWEZNQCLSA-N -1 0 318.329 1.460 20 30 DDEDRM O=C(C#Cc1ccc2c(c1)OCO2)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000831265139 604660595 /nfs/dbraw/zinc/66/05/95/604660595.db2.gz ACXTZONFICGGAW-GFCCVEGCSA-N -1 0 317.297 1.310 20 30 DDEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(-n2cnnn2)c1 ZINC000763370604 604666663 /nfs/dbraw/zinc/66/66/63/604666663.db2.gz SDAIHRHMGPQTCQ-UHFFFAOYSA-N -1 0 323.316 1.592 20 30 DDEDRM CCOc1cc(C(=O)OC[C@@H](C)C#N)ccc1OCC(=O)[O-] ZINC000830037360 604736129 /nfs/dbraw/zinc/73/61/29/604736129.db2.gz ATPWRDWFGAGYFR-JTQLQIEISA-N -1 0 307.302 1.865 20 30 DDEDRM C=CCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000823501296 604760779 /nfs/dbraw/zinc/76/07/79/604760779.db2.gz UVLAKLXISZARAH-CHWSQXEVSA-N -1 0 316.423 1.889 20 30 DDEDRM CC(C)c1nc(C#N)c(N=NC(C)c2cn(CC(=O)[O-])nn2)o1 ZINC000825809326 604785212 /nfs/dbraw/zinc/78/52/12/604785212.db2.gz UCMVCJBDCPEOQH-UHFFFAOYSA-N -1 0 317.309 1.182 20 30 DDEDRM CCC(CC)(CNC(=O)[O-])NC(=O)Nc1ccn(CCC#N)n1 ZINC000826547513 604797685 /nfs/dbraw/zinc/79/76/85/604797685.db2.gz IZEBXDGNOIWSNU-UHFFFAOYSA-N -1 0 322.369 1.745 20 30 DDEDRM C[C@@]1(NS(=O)(=O)CCCCC#N)CCCC[C@H]1C(=O)[O-] ZINC000833571405 604809807 /nfs/dbraw/zinc/80/98/07/604809807.db2.gz YKPJGFBPEKLXGT-WCQYABFASA-N -1 0 302.396 1.633 20 30 DDEDRM C=C(C)COCCNC(=O)N(CCC)[C@H]1CCN(C(=O)[O-])C1 ZINC000823480750 604900195 /nfs/dbraw/zinc/90/01/95/604900195.db2.gz NAECYSRZQBQZOE-ZDUSSCGKSA-N -1 0 313.398 1.753 20 30 DDEDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000833509365 604937011 /nfs/dbraw/zinc/93/70/11/604937011.db2.gz PDIKLHZLEIIRBS-ZDUSSCGKSA-N -1 0 304.302 1.576 20 30 DDEDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)Nc1ccccn1 ZINC000833407678 605041118 /nfs/dbraw/zinc/04/11/18/605041118.db2.gz VAPFDSSPEHLAIQ-SNVBAGLBSA-N -1 0 317.374 1.849 20 30 DDEDRM C=C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000833370588 605045883 /nfs/dbraw/zinc/04/58/83/605045883.db2.gz DSYAIGSZPZGWBB-LURJTMIESA-N -1 0 319.360 1.086 20 30 DDEDRM CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833406912 605121861 /nfs/dbraw/zinc/12/18/61/605121861.db2.gz FRJGCIXQIUQYGR-UHFFFAOYSA-N -1 0 323.736 1.643 20 30 DDEDRM C=C(Br)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823474341 605280527 /nfs/dbraw/zinc/28/05/27/605280527.db2.gz NTRGLWDBQNYXRM-SECBINFHSA-N -1 0 321.171 1.170 20 30 DDEDRM C=CCSCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000823516826 605282087 /nfs/dbraw/zinc/28/20/87/605282087.db2.gz WNSKAKNMSCWETJ-NSHDSACASA-N -1 0 302.396 1.181 20 30 DDEDRM C=C(Br)COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823474429 605333890 /nfs/dbraw/zinc/33/38/90/605333890.db2.gz PBSISFASYIRGGS-SECBINFHSA-N -1 0 322.155 1.597 20 30 DDEDRM O=C([O-])N1CCCc2cccc(C=NN3CCCNC3=O)c21 ZINC000834289743 605382741 /nfs/dbraw/zinc/38/27/41/605382741.db2.gz NYXMXNYEMYDOIB-UHFFFAOYSA-N -1 0 302.334 1.866 20 30 DDEDRM C=CCSCCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000823516379 605384033 /nfs/dbraw/zinc/38/40/33/605384033.db2.gz IFSSMBUQCBQYSL-LBPRGKRZSA-N -1 0 313.423 1.832 20 30 DDEDRM CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ncnc2[nH]cnc21 ZINC000824767199 605464000 /nfs/dbraw/zinc/46/40/00/605464000.db2.gz GXMRJYXURANGLV-SECBINFHSA-N -1 0 303.326 1.673 20 30 DDEDRM Cc1oc(NC(=O)CN2CCC[C@H]2CNC(=O)[O-])c(C#N)c1C ZINC000830942586 605473265 /nfs/dbraw/zinc/47/32/65/605473265.db2.gz NGNVEKSDJRZAQA-NSHDSACASA-N -1 0 320.349 1.439 20 30 DDEDRM N#C[C@H](c1ccccc1)N1CCN([C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833964595 605578953 /nfs/dbraw/zinc/57/89/53/605578953.db2.gz KVTSSTKPXJWEPB-HZPDHXFCSA-N -1 0 314.389 1.621 20 30 DDEDRM N#CCCN(CCC#N)C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000833965246 605642177 /nfs/dbraw/zinc/64/21/77/605642177.db2.gz GHIWCFDLACIKRU-UHFFFAOYSA-N -1 0 302.290 1.752 20 30 DDEDRM C[C@H](NC(=O)NC(C)(C)CNC(=O)[O-])c1cccc(C#N)c1 ZINC000825157372 605646836 /nfs/dbraw/zinc/64/68/36/605646836.db2.gz YSDCDTLZGGTCLG-JTQLQIEISA-N -1 0 304.350 1.965 20 30 DDEDRM C[C@@H](C#N)CN(C)C(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000823648022 605660721 /nfs/dbraw/zinc/66/07/21/605660721.db2.gz PGOTWCDHEPECST-SMDDNHRTSA-N -1 0 301.346 1.882 20 30 DDEDRM CN(C(=O)CN1CCC(C)(C#N)CC1)c1ccccc1C(=O)[O-] ZINC000833684545 605680135 /nfs/dbraw/zinc/68/01/35/605680135.db2.gz INZNAVGFLSEKPL-UHFFFAOYSA-N -1 0 315.373 1.973 20 30 DDEDRM N#Cc1ccc(C(=O)COC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000833975071 605722259 /nfs/dbraw/zinc/72/22/59/605722259.db2.gz ZCGRNPDBNOGPRF-UHFFFAOYSA-N -1 0 302.286 1.284 20 30 DDEDRM O=C([O-])N[C@@H]1CCCC1=NNC(=S)NCc1ccc(F)cc1 ZINC000834169894 605859370 /nfs/dbraw/zinc/85/93/70/605859370.db2.gz PFYOQEVLFFKCLL-LLVKDONJSA-N -1 0 324.381 1.966 20 30 DDEDRM C=C(Cl)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833371137 605920603 /nfs/dbraw/zinc/92/06/03/605920603.db2.gz XOHGUIZOYCHILD-UHFFFAOYSA-N -1 0 300.673 1.331 20 30 DDEDRM CN(C(=O)CN1CC[C@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000739572400 605921032 /nfs/dbraw/zinc/92/10/32/605921032.db2.gz OHEOIAORIIJPJD-LBPRGKRZSA-N -1 0 308.382 1.013 20 30 DDEDRM N#C[C@H](NC(=O)c1cnc(NC(=O)[O-])cn1)c1ccc(F)cc1 ZINC000833959717 606053123 /nfs/dbraw/zinc/05/31/23/606053123.db2.gz CSMQPBQLZXRFTP-JTQLQIEISA-N -1 0 315.264 1.700 20 30 DDEDRM N#Cc1ccc(C(=O)COC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000833973236 606079789 /nfs/dbraw/zinc/07/97/89/606079789.db2.gz MGSZMKFQSDHZMJ-ZDUSSCGKSA-N -1 0 316.313 1.674 20 30 DDEDRM COC[C@@H](C)CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000821681529 606702337 /nfs/dbraw/zinc/70/23/37/606702337.db2.gz MZNHAQLSOHELCW-VIFPVBQESA-N -1 0 307.358 1.733 20 30 DDEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(C#N)s2)o1 ZINC000823961942 608094592 /nfs/dbraw/zinc/09/45/92/608094592.db2.gz CHRKSRZOAXWIMT-UHFFFAOYSA-N -1 0 314.334 1.932 20 30 DDEDRM N#Cc1nc(NC(=O)CCCC(F)(F)F)[n-]c1-c1nn[nH]n1 ZINC000826382419 608200522 /nfs/dbraw/zinc/20/05/22/608200522.db2.gz DJABALDNBFLGHW-UHFFFAOYSA-N -1 0 314.231 1.133 20 30 DDEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccnc(C#N)c1 ZINC000796892265 699984106 /nfs/dbraw/zinc/98/41/06/699984106.db2.gz KXLLQQLDZIXTDR-INIZCTEOSA-N -1 0 318.336 1.934 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(COCCOC)c1 ZINC000797738004 700022181 /nfs/dbraw/zinc/02/21/81/700022181.db2.gz BDJGLVUOKJVQPH-UHFFFAOYSA-N -1 0 322.361 1.954 20 30 DDEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000746417440 700023530 /nfs/dbraw/zinc/02/35/30/700023530.db2.gz YAZIIXHRYSQTPJ-ZDUSSCGKSA-N -1 0 320.370 1.081 20 30 DDEDRM C[C@H](Oc1cccc(C=NN2C(=S)N=NC2C)c1)C(=O)[O-] ZINC000746679833 700036740 /nfs/dbraw/zinc/03/67/40/700036740.db2.gz WBBJBJNNCHSJAA-QMMMGPOBSA-N -1 0 306.347 1.609 20 30 DDEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000036987994 696131383 /nfs/dbraw/zinc/13/13/83/696131383.db2.gz DLLVTXHJQGGJEA-UHFFFAOYSA-N -1 0 307.331 1.995 20 30 DDEDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c(C)s1 ZINC000049501879 696225047 /nfs/dbraw/zinc/22/50/47/696225047.db2.gz WWBNBLKQSWGOGH-SECBINFHSA-N -1 0 305.377 1.426 20 30 DDEDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000050196140 696229387 /nfs/dbraw/zinc/22/93/87/696229387.db2.gz AVYWKVIWAYFLIJ-UHFFFAOYSA-N -1 0 310.375 1.621 20 30 DDEDRM N#Cc1cc(F)ccc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC000747535247 700074974 /nfs/dbraw/zinc/07/49/74/700074974.db2.gz JIYGZZLENXKUGH-UHFFFAOYSA-N -1 0 314.276 1.279 20 30 DDEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000748005416 700095343 /nfs/dbraw/zinc/09/53/43/700095343.db2.gz JKDZKDRCGWDATQ-UHFFFAOYSA-N -1 0 309.281 1.847 20 30 DDEDRM CC[C@]1(C)NC(=O)N(N=Cc2ccc([N+](=O)[O-])c([O-])c2)C1=O ZINC000748130758 700101395 /nfs/dbraw/zinc/10/13/95/700101395.db2.gz CVEQYSGSCIRLQX-ZDUSSCGKSA-N -1 0 306.278 1.355 20 30 DDEDRM C#CCOc1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000124178152 696740178 /nfs/dbraw/zinc/74/01/78/696740178.db2.gz IHJUXGLFNSHIIS-UHFFFAOYSA-N -1 0 316.338 1.783 20 30 DDEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)nc1 ZINC000125877369 696757062 /nfs/dbraw/zinc/75/70/62/696757062.db2.gz NICRPVWZLYQQQW-UHFFFAOYSA-N -1 0 301.327 1.380 20 30 DDEDRM CCC(CC)n1nccc1C([O-])=C(C#N)C(=O)NCCCOC ZINC000129654891 696790626 /nfs/dbraw/zinc/79/06/26/696790626.db2.gz OIDKZGWYHWLUJT-ZDUSSCGKSA-N -1 0 320.393 1.719 20 30 DDEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131026695 696803483 /nfs/dbraw/zinc/80/34/83/696803483.db2.gz DCMFKBRCSWGVEL-LLVKDONJSA-N -1 0 307.693 1.849 20 30 DDEDRM C#CCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000132118137 696811822 /nfs/dbraw/zinc/81/18/22/696811822.db2.gz WKKKWSCFQBLICI-UHFFFAOYSA-N -1 0 302.355 1.792 20 30 DDEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1 ZINC000149000460 696875392 /nfs/dbraw/zinc/87/53/92/696875392.db2.gz KQSOYBVICXPEOT-JTQLQIEISA-N -1 0 307.375 1.476 20 30 DDEDRM COCCn1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1=O ZINC000748411566 700117179 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COC(=O)c1nscc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000562477626 421372442 /nfs/dbraw/zinc/37/24/42/421372442.db2.gz PYXMMJDHLJENMO-UHFFFAOYSA-N -1 0 317.392 1.611 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000562737200 421408433 /nfs/dbraw/zinc/40/84/33/421408433.db2.gz WMCKBMLUYFVMTH-NEPJUHHUSA-N -1 0 315.322 1.146 20 30 DDEDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000528910307 421524467 /nfs/dbraw/zinc/52/44/67/421524467.db2.gz PROLLJNLOONMDR-FBKDDSFISA-N -1 0 322.386 1.423 20 30 DDEDRM C[C@H]([C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-])C1CC1 ZINC000548867677 421480682 /nfs/dbraw/zinc/48/06/82/421480682.db2.gz TWNPGRCDXQSDNV-IINYFYTJSA-N -1 0 322.386 1.477 20 30 DDEDRM Cc1cc(S(=O)(=O)[N-]c2cc3ccccn3n2)ccc1C#N ZINC000552036268 421569758 /nfs/dbraw/zinc/56/97/58/421569758.db2.gz WYQZLVPRFNAUMR-UHFFFAOYSA-N -1 0 312.354 2.315 20 30 DDEDRM C=CCCOCCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000567960164 421617001 /nfs/dbraw/zinc/61/70/01/421617001.db2.gz WERHHVDPTPOXJH-ZDUSSCGKSA-N -1 0 322.409 1.979 20 30 DDEDRM Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ncc1C#N ZINC000518193411 421643539 /nfs/dbraw/zinc/64/35/39/421643539.db2.gz INWNJZJQDOZPII-JTQLQIEISA-N -1 0 312.333 1.105 20 30 DDEDRM C=CCN(CCc1ccccc1)S(=O)(=O)CCCC(=O)[O-] ZINC000572838827 421872810 /nfs/dbraw/zinc/87/28/10/421872810.db2.gz OVZGPSLRESJZNZ-UHFFFAOYSA-N -1 0 311.403 1.912 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@H](CCC)c1ccccn1)C(=O)[O-] ZINC000630187320 421944995 /nfs/dbraw/zinc/94/49/95/421944995.db2.gz NBHCRIVELSIGTL-TZMCWYRMSA-N -1 0 306.362 1.737 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)C(=O)[O-] ZINC000630321642 422023344 /nfs/dbraw/zinc/02/33/44/422023344.db2.gz KUAWYEKGAHHJTA-CYBMUJFWSA-N -1 0 307.350 1.384 20 30 DDEDRM C=CCOc1ccc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])cc1 ZINC000630307953 422013347 /nfs/dbraw/zinc/01/33/47/422013347.db2.gz ABMVKNWBWWRKNN-WMLDXEAASA-N -1 0 319.357 1.956 20 30 DDEDRM C=C(C)C[C@@H](NS(=O)(=O)C[C@H](OCC)C1CC1)C(=O)[O-] ZINC000630437352 422102599 /nfs/dbraw/zinc/10/25/99/422102599.db2.gz DLGLUSUWGQAXQP-NEPJUHHUSA-N -1 0 305.396 1.140 20 30 DDEDRM C=CCOC[C@@H](NC(=O)c1cccc2c1OCC2(C)C)C(=O)[O-] ZINC000582370252 422143251 /nfs/dbraw/zinc/14/32/51/422143251.db2.gz KJMRYBLLCNHTMD-CYBMUJFWSA-N -1 0 319.357 1.742 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)NCc1cc(OC)ccc1OC)C(=O)[O-] ZINC000630469234 422120757 /nfs/dbraw/zinc/12/07/57/422120757.db2.gz ZEFHADWZVGXMCK-CYBMUJFWSA-N -1 0 322.361 1.922 20 30 DDEDRM C=C(C)C[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)C(=O)[O-] ZINC000630472055 422122837 /nfs/dbraw/zinc/12/28/37/422122837.db2.gz JCUAYHFOXNTEJB-NEPJUHHUSA-N -1 0 306.366 1.516 20 30 DDEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000593923690 422342462 /nfs/dbraw/zinc/34/24/62/422342462.db2.gz RGJVCNOLMJYOSU-LBPRGKRZSA-N -1 0 300.318 2.038 20 30 DDEDRM N#Cc1nc(NCC2(C(=O)[O-])CCOCC2)sc1Cl ZINC000595970385 422359736 /nfs/dbraw/zinc/35/97/36/422359736.db2.gz WUCCIJAYBYCUJX-UHFFFAOYSA-N -1 0 301.755 1.961 20 30 DDEDRM C=CCOC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)C(=O)[O-] ZINC000653658080 423569600 /nfs/dbraw/zinc/56/96/00/423569600.db2.gz SROURESNRKHKBH-LLVKDONJSA-N -1 0 319.313 1.827 20 30 DDEDRM C=CCOCCNC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000654814052 423935729 /nfs/dbraw/zinc/93/57/29/423935729.db2.gz VFRHDOBJYYKRJT-CQSZACIVSA-N -1 0 306.362 1.526 20 30 DDEDRM C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663632709 424027128 /nfs/dbraw/zinc/02/71/28/424027128.db2.gz BUSDAVZCAYPMLT-OLZOCXBDSA-N -1 0 308.378 1.171 20 30 DDEDRM C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663625744 424015048 /nfs/dbraw/zinc/01/50/48/424015048.db2.gz VRCKQZMBENANOJ-WCQYABFASA-N -1 0 310.394 1.465 20 30 DDEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000659661299 424144348 /nfs/dbraw/zinc/14/43/48/424144348.db2.gz GZASZRVESBDMRW-RDBSUJKOSA-N -1 0 324.421 1.711 20 30 DDEDRM CCc1ncc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 ZINC000351981804 266452026 /nfs/dbraw/zinc/45/20/26/266452026.db2.gz LMSNXUNGCSNIFA-UHFFFAOYSA-N -1 0 324.312 1.990 20 30 DDEDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2C#N)c([N+](=O)[O-])n1 ZINC000343136196 266468743 /nfs/dbraw/zinc/46/87/43/266468743.db2.gz KKPQOOJKZFBIRE-UHFFFAOYSA-N -1 0 321.318 1.484 20 30 DDEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000358796381 266473422 /nfs/dbraw/zinc/47/34/22/266473422.db2.gz DDIBSTMKSSNPBW-UHFFFAOYSA-N -1 0 324.337 1.723 20 30 DDEDRM CCCC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCC1 ZINC000530270694 266999952 /nfs/dbraw/zinc/99/99/52/266999952.db2.gz RQMKYPPZKRFIQD-UHFFFAOYSA-N -1 0 316.361 1.174 20 30 DDEDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)[C@@H]1C1CC1 ZINC000528911282 267795828 /nfs/dbraw/zinc/79/58/28/267795828.db2.gz WHCYHVIYEGGTGR-QCZZGDTMSA-N -1 0 304.371 1.655 20 30 DDEDRM Cc1cc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])ccc1C#N ZINC000530525621 268017614 /nfs/dbraw/zinc/01/76/14/268017614.db2.gz HSYDOYXFKKJOON-CQSZACIVSA-N -1 0 322.386 1.788 20 30 DDEDRM C=C(C)C[C@H](C)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000449121231 277783211 /nfs/dbraw/zinc/78/32/11/277783211.db2.gz GZEWWOHYZAJUKF-AVGNSLFASA-N -1 0 310.394 1.415 20 30 DDEDRM C=CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000296839203 277842542 /nfs/dbraw/zinc/84/25/42/277842542.db2.gz DZNJCAZALMQTPP-CYBMUJFWSA-N -1 0 313.375 1.277 20 30 DDEDRM CC(C)C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-] ZINC000262462323 279193341 /nfs/dbraw/zinc/19/33/41/279193341.db2.gz SMTOQSAWHXGJLK-NSHDSACASA-N -1 0 302.396 1.489 20 30 DDEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000416957761 280660609 /nfs/dbraw/zinc/66/06/09/280660609.db2.gz XOQKQUVNTDHZMB-CQSZACIVSA-N -1 0 321.402 1.966 20 30 DDEDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000164882274 298214381 /nfs/dbraw/zinc/21/43/81/298214381.db2.gz KHUGIOWWAHZXKP-GXTWGEPZSA-N -1 0 308.359 1.480 20 30 DDEDRM N#C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C1CC1 ZINC000370687682 303161818 /nfs/dbraw/zinc/16/18/18/303161818.db2.gz BPJJVXHTRVCPHJ-LLVKDONJSA-N -1 0 316.317 1.113 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC000275283253 303196810 /nfs/dbraw/zinc/19/68/10/303196810.db2.gz LHKRYSRNKXRCKW-LBPRGKRZSA-N -1 0 323.374 1.361 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000556882460 331747218 /nfs/dbraw/zinc/74/72/18/331747218.db2.gz ZNKURHKQABWDEG-NEPJUHHUSA-N -1 0 311.359 1.315 20 30 DDEDRM C=CC[C@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000185695369 333370738 /nfs/dbraw/zinc/37/07/38/333370738.db2.gz UVZHJJSXROHMPV-SNVBAGLBSA-N -1 0 305.309 1.384 20 30 DDEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000496716683 333399070 /nfs/dbraw/zinc/39/90/70/333399070.db2.gz ZTCNJRCZRSQRAY-IUCAKERBSA-N -1 0 310.272 1.772 20 30 DDEDRM C=CCN(CCOC)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000313978321 337390787 /nfs/dbraw/zinc/39/07/87/337390787.db2.gz PDJMUYIAYPDSQV-UHFFFAOYSA-N -1 0 317.338 1.347 20 30 DDEDRM CC#CC[C@H](NS(=O)(=O)c1sc(C)cc1C)C(=O)[O-] ZINC000516233307 338008391 /nfs/dbraw/zinc/00/83/91/338008391.db2.gz KSABPDLASOTPPY-JTQLQIEISA-N -1 0 301.389 1.510 20 30 DDEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000548560105 341266097 /nfs/dbraw/zinc/26/60/97/341266097.db2.gz ZOXSVSBUMXRBQO-UHFFFAOYSA-N -1 0 315.395 1.342 20 30 DDEDRM CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-] ZINC000564984572 341514336 /nfs/dbraw/zinc/51/43/36/341514336.db2.gz YEUFOFMKHWCWLZ-CQSZACIVSA-N -1 0 324.402 1.671 20 30 DDEDRM N#C[C@]1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCOC1 ZINC000566018913 341545548 /nfs/dbraw/zinc/54/55/48/341545548.db2.gz SNXKRLJGWZISJZ-GFCCVEGCSA-N -1 0 300.236 1.823 20 30 DDEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656005919 484093416 /nfs/dbraw/zinc/09/34/16/484093416.db2.gz VTSOPLDYOBEXJD-ZDUSSCGKSA-N -1 0 318.373 1.081 20 30 DDEDRM C=CC[C@@H](NS(=O)(=O)c1ccccc1-c1ccno1)C(=O)[O-] ZINC000681557717 486454678 /nfs/dbraw/zinc/45/46/78/486454678.db2.gz FCPSFTPXWHBAFS-LLVKDONJSA-N -1 0 322.342 1.649 20 30 DDEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1F ZINC000446792517 534242556 /nfs/dbraw/zinc/24/25/56/534242556.db2.gz YYXYYWAFUQNOLR-UHFFFAOYSA-N -1 0 324.293 1.008 20 30 DDEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(C#N)cn1 ZINC000292396852 534256945 /nfs/dbraw/zinc/25/69/45/534256945.db2.gz UPMUMWQJEYYUNB-MWLCHTKSSA-N -1 0 312.295 1.989 20 30 DDEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000340075476 526662056 /nfs/dbraw/zinc/66/20/56/526662056.db2.gz AALBCVDDXNIVKJ-UHFFFAOYSA-N -1 0 320.374 1.137 20 30 DDEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000491785143 526837987 /nfs/dbraw/zinc/83/79/87/526837987.db2.gz RTYCWYLVWFDYSR-UHFFFAOYSA-N -1 0 311.359 1.934 20 30 DDEDRM CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000420576923 526951040 /nfs/dbraw/zinc/95/10/40/526951040.db2.gz DWEQTXAAKGEPSZ-GFCCVEGCSA-N -1 0 323.393 1.146 20 30 DDEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000491303545 527042900 /nfs/dbraw/zinc/04/29/00/527042900.db2.gz BGMUOAKDSCACQH-UHFFFAOYSA-N -1 0 324.402 1.216 20 30 DDEDRM C=CCCCS(=O)(=O)[N-]c1cccc(F)c1S(C)(=O)=O ZINC000414487581 527247127 /nfs/dbraw/zinc/24/71/27/527247127.db2.gz SNUQWKJFOGTTAA-UHFFFAOYSA-N -1 0 321.395 1.937 20 30 DDEDRM C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000420560335 527278361 /nfs/dbraw/zinc/27/83/61/527278361.db2.gz MVAIFZCMPKPFOQ-UONOGXRCSA-N -1 0 324.421 1.951 20 30 DDEDRM C#C[C@H](CCC)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000491462140 527368002 /nfs/dbraw/zinc/36/80/02/527368002.db2.gz HIROGRXKFOCFSP-LLVKDONJSA-N -1 0 315.398 1.603 20 30 DDEDRM C#C[C@H]1COCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000491752847 527426538 /nfs/dbraw/zinc/42/65/38/527426538.db2.gz XEJPUJUILNAVIB-LBPRGKRZSA-N -1 0 315.304 1.191 20 30 DDEDRM CC[C@@H](O)CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000443254916 529219902 /nfs/dbraw/zinc/21/99/02/529219902.db2.gz JDLIUJPEMNZRQY-SNVBAGLBSA-N -1 0 318.345 1.666 20 30 DDEDRM N#Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)c(OC(F)F)c1 ZINC000819100551 596930701 /nfs/dbraw/zinc/93/07/01/596930701.db2.gz OXUNKFFRBSOEHK-LBPRGKRZSA-N -1 0 312.272 1.445 20 30 DDEDRM CC[C@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739211474 596965875 /nfs/dbraw/zinc/96/58/75/596965875.db2.gz XSTSERXHERPGKE-ZWNOBZJWSA-N -1 0 300.318 1.124 20 30 DDEDRM CC(C)C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-] ZINC000070393936 597373773 /nfs/dbraw/zinc/37/37/73/597373773.db2.gz ZXGBDHFPVBNGIY-LLVKDONJSA-N -1 0 314.338 1.475 20 30 DDEDRM Cc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)C(=O)[O-])cc1C ZINC000818898934 597493487 /nfs/dbraw/zinc/49/34/87/597493487.db2.gz VXQHMVHYSJTGMA-CQSZACIVSA-N -1 0 317.389 1.955 20 30 DDEDRM Cc1cccc2[nH]c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nc21 ZINC000821116821 597607181 /nfs/dbraw/zinc/60/71/81/597607181.db2.gz UUORZWVATPMGAI-HNNXBMFYSA-N -1 0 300.318 1.492 20 30 DDEDRM C[C@H](C#N)Oc1ccccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819875394 597611739 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/nfs/dbraw/zinc/40/69/82/605406982.db2.gz SPBJEWBSAISSGF-UHFFFAOYSA-N -1 0 309.347 1.027 20 30 DDEDRM C[C@@]1(C#N)CCCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000833551905 605417490 /nfs/dbraw/zinc/41/74/90/605417490.db2.gz VDEYZUFYXXORET-HNNXBMFYSA-N -1 0 322.386 1.840 20 30 DDEDRM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000833551499 605493928 /nfs/dbraw/zinc/49/39/28/605493928.db2.gz MVVSXFHYMQAUPN-AWEZNQCLSA-N -1 0 321.358 1.537 20 30 DDEDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000833814045 605519029 /nfs/dbraw/zinc/51/90/29/605519029.db2.gz AXPHDZVQOMCRAI-PWSUYJOCSA-N -1 0 323.374 1.225 20 30 DDEDRM N#CCCCNC(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833966039 605569682 /nfs/dbraw/zinc/56/96/82/605569682.db2.gz YTCHDOBPYIPVLY-GFCCVEGCSA-N -1 0 305.338 1.232 20 30 DDEDRM N#C[C@H](COC(=O)C1CN(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000833962331 605586561 /nfs/dbraw/zinc/58/65/61/605586561.db2.gz YXWUPPODPITZPD-LLVKDONJSA-N -1 0 306.293 1.661 20 30 DDEDRM N#C[C@]1(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)CCSC1 ZINC000833963753 605599847 /nfs/dbraw/zinc/59/98/47/605599847.db2.gz UJMIWTYETSQXLP-SWLSCSKDSA-N -1 0 319.386 1.901 20 30 DDEDRM Cc1onc(CC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c1C#N ZINC000833936985 605697780 /nfs/dbraw/zinc/69/77/80/605697780.db2.gz SVWIQFXYDLANTM-WPRPVWTQSA-N -1 0 306.322 1.044 20 30 DDEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000819915103 605702258 /nfs/dbraw/zinc/70/22/58/605702258.db2.gz UROZWKGIRPXASJ-BONVTDFDSA-N -1 0 310.350 1.181 20 30 DDEDRM Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cnn1C(C)C ZINC000833896780 605704283 /nfs/dbraw/zinc/70/42/83/605704283.db2.gz OGGPRAORPAUFBN-LLVKDONJSA-N -1 0 305.338 1.100 20 30 DDEDRM Cn1ccnc(N=NC2CCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1=O ZINC000833953462 605724645 /nfs/dbraw/zinc/72/46/45/605724645.db2.gz XFYWFJOZUINKLS-CMPLNLGQSA-N -1 0 319.365 1.491 20 30 DDEDRM C=CCN(CC=C)C(=O)COC(=O)[C@]1(C)CCCN1C(=O)[O-] ZINC000833788085 605727470 /nfs/dbraw/zinc/72/74/70/605727470.db2.gz MWABNMAPUJTDLA-HNNXBMFYSA-N -1 0 310.350 1.263 20 30 DDEDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1N=Nc1cnccn1 ZINC000834118986 605741490 /nfs/dbraw/zinc/74/14/90/605741490.db2.gz QTKSQXCSKHTYBY-PWSUYJOCSA-N -1 0 305.338 1.423 20 30 DDEDRM N#Cc1ccc([C@@H](O)C(=O)OC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000833974748 605768095 /nfs/dbraw/zinc/76/80/95/605768095.db2.gz WDIDSXCKCJNTOO-CHWSQXEVSA-N -1 0 304.302 1.277 20 30 DDEDRM N#C[C@@H](COC(=O)[C@H]1CN(C(=O)[O-])CCO1)Cc1cccs1 ZINC000833960302 605828298 /nfs/dbraw/zinc/82/82/98/605828298.db2.gz HTFGSOAQIDPYBR-CMPLNLGQSA-N -1 0 324.358 1.352 20 30 DDEDRM N#Cc1ccc([C@H](O)C(=O)N2CCC(CNC(=O)[O-])CC2)cc1 ZINC000833973254 605835838 /nfs/dbraw/zinc/83/58/38/605835838.db2.gz MNTJMDGZIVNMGY-AWEZNQCLSA-N -1 0 317.345 1.098 20 30 DDEDRM N#C[C@H](C(=O)CCCCNC(=O)[O-])C(=O)NC1CCCCC1 ZINC000833960971 605909235 /nfs/dbraw/zinc/90/92/35/605909235.db2.gz NCTMCBLHTTVSEN-GFCCVEGCSA-N -1 0 309.366 1.582 20 30 DDEDRM N#Cc1c[nH]c(C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000833969559 605916124 /nfs/dbraw/zinc/91/61/24/605916124.db2.gz FWLHSMMUQNQENE-UHFFFAOYSA-N -1 0 311.301 1.570 20 30 DDEDRM C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833788185 605970010 /nfs/dbraw/zinc/97/00/10/605970010.db2.gz PXEXWENSNZVUTP-LBPRGKRZSA-N -1 0 324.377 1.344 20 30 DDEDRM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000833928491 605996162 /nfs/dbraw/zinc/99/61/62/605996162.db2.gz NWKIPMKYXKTDIS-JOYOIKCWSA-N -1 0 320.349 1.499 20 30 DDEDRM N#C[C@@H](NC(=O)c1cnc(NC(=O)[O-])cn1)c1ccc(F)cc1 ZINC000833959720 606053366 /nfs/dbraw/zinc/05/33/66/606053366.db2.gz CSMQPBQLZXRFTP-SNVBAGLBSA-N -1 0 315.264 1.700 20 30 DDEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(Cl)c(C)c2)o1 ZINC000822423407 607147251 /nfs/dbraw/zinc/14/72/51/607147251.db2.gz KWIZSOQLFRWIDL-UHFFFAOYSA-N -1 0 318.728 1.966 20 30 DDEDRM C#Cc1ccccc1C(C)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000823861261 607807700 /nfs/dbraw/zinc/80/77/00/607807700.db2.gz BOHYHWNLHUVXPU-UHFFFAOYSA-N -1 0 307.317 1.981 20 30 DDEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cn1C ZINC000122328391 696720781 /nfs/dbraw/zinc/72/07/81/696720781.db2.gz OBOYBOYRCWCJOU-UHFFFAOYSA-N -1 0 324.337 1.571 20 30 DDEDRM CCc1noc2ncc(C([O-])=C(C#N)C(=O)c3nccn3C)cc12 ZINC000122936612 696726855 /nfs/dbraw/zinc/72/68/55/696726855.db2.gz BCLXOPOXFFTEAT-LLVKDONJSA-N -1 0 323.312 1.724 20 30 DDEDRM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972246634 695188992 /nfs/dbraw/zinc/18/89/92/695188992.db2.gz PZFDVOCUNWRFRV-ABAIWWIYSA-N -1 0 307.398 1.145 20 30 DDEDRM C#CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000797724181 700021128 /nfs/dbraw/zinc/02/11/28/700021128.db2.gz LXFKVHXHGYKIKK-CQSZACIVSA-N -1 0 304.346 1.924 20 30 DDEDRM CC1N=NC(=S)N1N=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746679309 700036934 /nfs/dbraw/zinc/03/69/34/700036934.db2.gz PMAOESYTAFDPDK-UHFFFAOYSA-N -1 0 306.347 1.611 20 30 DDEDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000042291301 696147631 /nfs/dbraw/zinc/14/76/31/696147631.db2.gz YKPBKWKMRJFZFG-UHFFFAOYSA-N -1 0 310.331 1.994 20 30 DDEDRM CCCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000046930505 696192753 /nfs/dbraw/zinc/19/27/53/696192753.db2.gz ACQIYYGFYFTHAZ-UHFFFAOYSA-N -1 0 323.378 1.888 20 30 DDEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000048518654 696213534 /nfs/dbraw/zinc/21/35/34/696213534.db2.gz MZBPIAZVTFAYGG-MRVPVSSYSA-N -1 0 306.413 1.382 20 30 DDEDRM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000048601094 696214961 /nfs/dbraw/zinc/21/49/61/696214961.db2.gz MOPZSELLRNDIFA-UHFFFAOYSA-N -1 0 318.358 1.602 20 30 DDEDRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000086054277 696564875 /nfs/dbraw/zinc/56/48/75/696564875.db2.gz KULLNPADVSUGCR-LLVKDONJSA-N -1 0 316.423 1.864 20 30 DDEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cccc(-n2cccn2)n1 ZINC000086055707 696564998 /nfs/dbraw/zinc/56/49/98/696564998.db2.gz ADDMRLJTJCJXAJ-UHFFFAOYSA-N -1 0 320.374 1.844 20 30 DDEDRM C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000108920934 696635883 /nfs/dbraw/zinc/63/58/83/696635883.db2.gz ACFHOAOGHOITGM-UHFFFAOYSA-N -1 0 301.751 1.682 20 30 DDEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1 ZINC000113651864 696658372 /nfs/dbraw/zinc/65/83/72/696658372.db2.gz BYPQCPWFOBRCGA-ZDUSSCGKSA-N -1 0 313.361 1.748 20 30 DDEDRM Cn1cc2c(n1)CCC[C@@H]2C(=O)C(C#N)=C([O-])c1nccn1C ZINC000798842985 700101152 /nfs/dbraw/zinc/10/11/52/700101152.db2.gz CPFZAJMDFLDUPB-QWRGUYRKSA-N -1 0 311.345 1.165 20 30 DDEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C ZINC000119557272 696682189 /nfs/dbraw/zinc/68/21/89/696682189.db2.gz BHQFYPXRVRFMOR-CYBMUJFWSA-N -1 0 319.317 1.378 20 30 DDEDRM COc1cc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)cc1OC ZINC000120087418 696689720 /nfs/dbraw/zinc/68/97/20/696689720.db2.gz IJJRXKVNBLKKSP-LBPRGKRZSA-N -1 0 304.346 1.859 20 30 DDEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(COC)o1 ZINC000124319111 696741380 /nfs/dbraw/zinc/74/13/80/696741380.db2.gz UYKWMVAEABPGGT-LBPRGKRZSA-N -1 0 308.334 1.291 20 30 DDEDRM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccco1 ZINC000124357458 696741908 /nfs/dbraw/zinc/74/19/08/696741908.db2.gz PRFOBQCRIBUYAQ-GFCCVEGCSA-N -1 0 324.333 1.956 20 30 DDEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(N)=O)cc1 ZINC000126725536 696764784 /nfs/dbraw/zinc/76/47/84/696764784.db2.gz IJPPVYCTUXUMBU-HNNXBMFYSA-N -1 0 321.336 1.424 20 30 DDEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000131131972 696804601 /nfs/dbraw/zinc/80/46/01/696804601.db2.gz HHJCYVWISNRHEL-ZDUSSCGKSA-N -1 0 309.329 1.212 20 30 DDEDRM Cc1cncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000131912090 696809759 /nfs/dbraw/zinc/80/97/59/696809759.db2.gz KPVJRDLOCGOIIN-UHFFFAOYSA-N -1 0 301.327 1.380 20 30 DDEDRM CCCCn1ncc(C([O-])=C(C#N)C(=O)c2nccn2C)c1C ZINC000132667312 696817678 /nfs/dbraw/zinc/81/76/78/696817678.db2.gz GKBSNVUVLPJRTF-LBPRGKRZSA-N -1 0 313.361 1.931 20 30 DDEDRM CC[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)CC(=O)[O-] ZINC000147383463 696873849 /nfs/dbraw/zinc/87/38/49/696873849.db2.gz OWZGCXFQURZQSZ-VIFPVBQESA-N -1 0 314.338 1.477 20 30 DDEDRM CNC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2Cl)cc1C ZINC000155594289 696950356 /nfs/dbraw/zinc/95/03/56/696950356.db2.gz INWHPWHFNJJDDN-SNVBAGLBSA-N -1 0 316.748 1.903 20 30 DDEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803002854 701076089 /nfs/dbraw/zinc/07/60/89/701076089.db2.gz NDRAJEZBEIZEQK-TZMCWYRMSA-N -1 0 319.423 1.088 20 30 DDEDRM C#CCOCCC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000165273732 697339574 /nfs/dbraw/zinc/33/95/74/697339574.db2.gz JGVAVBSXYIZIBZ-UHFFFAOYSA-N -1 0 323.414 1.765 20 30 DDEDRM CSCCCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172544725 697368981 /nfs/dbraw/zinc/36/89/81/697368981.db2.gz ZJFWRKMRGBTEPQ-UHFFFAOYSA-N -1 0 312.416 1.896 20 30 DDEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000174002608 697383265 /nfs/dbraw/zinc/38/32/65/697383265.db2.gz IQSMZCQRBOBUFV-UHFFFAOYSA-N -1 0 311.754 1.449 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000176017958 697399997 /nfs/dbraw/zinc/39/99/97/697399997.db2.gz AVXHBLBZDBLEQD-CQSZACIVSA-N -1 0 318.373 1.949 20 30 DDEDRM CCn1ncc2cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)nc21 ZINC000799602565 700152590 /nfs/dbraw/zinc/15/25/90/700152590.db2.gz VCSBQEHDAUZEME-ZDUSSCGKSA-N -1 0 313.361 1.607 20 30 DDEDRM CCOCCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCC1 ZINC000181284296 697457057 /nfs/dbraw/zinc/45/70/57/697457057.db2.gz MUEFVJKAGDJROF-UHFFFAOYSA-N -1 0 316.423 1.723 20 30 DDEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000183128352 697483898 /nfs/dbraw/zinc/48/38/98/697483898.db2.gz YREQQFYOPCAGJN-VXGBXAGGSA-N -1 0 310.375 1.898 20 30 DDEDRM CC#CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000186184319 697531135 /nfs/dbraw/zinc/53/11/35/697531135.db2.gz SMUSKIXSJLTBKZ-UHFFFAOYSA-N -1 0 304.371 1.698 20 30 DDEDRM Cc1nnc(NN=C2CCCc3ccc([N+](=O)[O-])cc32)[n-]c1=O ZINC000773027040 697704763 /nfs/dbraw/zinc/70/47/63/697704763.db2.gz 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/nfs/dbraw/zinc/09/26/64/706092664.db2.gz OELBCEWQURGABN-MRVPVSSYSA-N -1 0 318.782 1.924 20 30 DDEDRM N#CC1(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)CCCC1 ZINC000864220654 706104390 /nfs/dbraw/zinc/10/43/90/706104390.db2.gz IEBGFNSIQQZJKX-MRVPVSSYSA-N -1 0 324.324 1.935 20 30 DDEDRM C=CCOC[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)OC ZINC000877495053 706122897 /nfs/dbraw/zinc/12/28/97/706122897.db2.gz RZGPHZIWGPNBKS-LLVKDONJSA-N -1 0 301.289 1.504 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)C(=O)[O-] ZINC000864522750 706187046 /nfs/dbraw/zinc/18/70/46/706187046.db2.gz YSAMUUFQJWOXJV-KWQFWETISA-N -1 0 314.773 1.685 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1cnn(C)c1)C(=O)[O-] ZINC000864524752 706187393 /nfs/dbraw/zinc/18/73/93/706187393.db2.gz JOCILTWWMSSVQS-WCBMZHEXSA-N -1 0 300.746 1.376 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)NCCC1CC(OC)C1)C(=O)[O-] ZINC000864529690 706188897 /nfs/dbraw/zinc/18/88/97/706188897.db2.gz ZXNVMCAIOJACON-ILDUYXDCSA-N -1 0 304.774 1.697 20 30 DDEDRM CCOC(=O)/C=C/c1ccc(C=NN[C@H](CC)C(=O)[O-])n1C ZINC000872377366 707394747 /nfs/dbraw/zinc/39/47/47/707394747.db2.gz ZMUDJGSICBTEBA-BRBXXERUSA-N -1 0 307.350 1.388 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000908999057 712912401 /nfs/dbraw/zinc/91/24/01/712912401.db2.gz WSWBECHIAUVYMI-DCAQKATOSA-N -1 0 304.774 1.839 20 30 DDEDRM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000867124954 706904518 /nfs/dbraw/zinc/90/45/18/706904518.db2.gz QUAOVJDOZXSDBL-QWRGUYRKSA-N -1 0 315.778 1.505 20 30 DDEDRM C=C[C@@H](C)O[N-]C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000880548747 707013337 /nfs/dbraw/zinc/01/33/37/707013337.db2.gz BIMDQPRDVAKEKY-HTQZYQBOSA-N -1 0 315.420 1.274 20 30 DDEDRM Cc1ccc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])c(C#N)c1 ZINC000871637494 707148477 /nfs/dbraw/zinc/14/84/77/707148477.db2.gz JQXLKVYLMXBDJH-AWEZNQCLSA-N -1 0 308.359 1.495 20 30 DDEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000835026036 707157679 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C=CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1 ZINC000837049308 707571713 /nfs/dbraw/zinc/57/17/13/707571713.db2.gz DIBIWLJAYWMZKM-AWEZNQCLSA-N -1 0 304.346 1.534 20 30 DDEDRM COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1C#N ZINC000872853097 707625879 /nfs/dbraw/zinc/62/58/79/707625879.db2.gz QSJANVMLLNLIKW-OLZOCXBDSA-N -1 0 302.330 1.684 20 30 DDEDRM C#CCN(Cc1ccc(F)cc1)C(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000872914981 707650654 /nfs/dbraw/zinc/65/06/54/707650654.db2.gz VABRWRQIGJWKIE-QGZVFWFLSA-N -1 0 319.332 1.669 20 30 DDEDRM C#CCOc1cc(F)ccc1NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000872939179 707663704 /nfs/dbraw/zinc/66/37/04/707663704.db2.gz JHXXKFAGYXVJEQ-INIZCTEOSA-N -1 0 321.304 1.658 20 30 DDEDRM Cn1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C#N)c2)n1 ZINC000882792613 707798287 /nfs/dbraw/zinc/79/82/87/707798287.db2.gz AOTINAOMHFABMC-UHFFFAOYSA-N -1 0 302.359 1.970 20 30 DDEDRM C=CCO[N-]C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000909284290 712981903 /nfs/dbraw/zinc/98/19/03/712981903.db2.gz BNXMVNKOUIMAOG-JQWIXIFHSA-N -1 0 305.252 1.031 20 30 DDEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(OC(C)(C)C)c1 ZINC000873497796 707875488 /nfs/dbraw/zinc/87/54/88/707875488.db2.gz OKFKERAQYCNLFP-AWEZNQCLSA-N -1 0 318.373 1.949 20 30 DDEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(CC)c1C ZINC000873498137 707876123 /nfs/dbraw/zinc/87/61/23/707876123.db2.gz XRWKSCCYCVRPGA-AWEZNQCLSA-N -1 0 305.378 1.682 20 30 DDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(OC(C)C)CCC2)CC1 ZINC000873530758 707887205 /nfs/dbraw/zinc/88/72/05/707887205.db2.gz BNXYDVKHUHMAKG-UHFFFAOYSA-N -1 0 301.408 1.889 20 30 DDEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000838963140 708007395 /nfs/dbraw/zinc/00/73/95/708007395.db2.gz ZDQUHGRIGQGDLT-UHFFFAOYSA-N -1 0 305.359 1.430 20 30 DDEDRM N#Cc1ccccc1C(F)(F)C(=O)[N-]OCCN1CCCC1=O ZINC000912628420 713055138 /nfs/dbraw/zinc/05/51/38/713055138.db2.gz AZNCXSIQYQJTTE-UHFFFAOYSA-N -1 0 323.299 1.320 20 30 DDEDRM C#CC1(O)CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000899120161 708992008 /nfs/dbraw/zinc/99/20/08/708992008.db2.gz YDJMVIVSSHUWLA-UHFFFAOYSA-N -1 0 302.355 1.717 20 30 DDEDRM CCC[C@H](C)CS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1 ZINC000899926012 709239333 /nfs/dbraw/zinc/23/93/33/709239333.db2.gz JMJRSALDVAXTMR-STQMWFEESA-N -1 0 301.408 1.552 20 30 DDEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cc(C)c(F)c1C ZINC000899931203 709241286 /nfs/dbraw/zinc/24/12/86/709241286.db2.gz ZCPXAUZDKBRXIA-UHFFFAOYSA-N -1 0 313.350 1.459 20 30 DDEDRM C#CCN1CCC[C@H]1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000909604053 709537994 /nfs/dbraw/zinc/53/79/94/709537994.db2.gz IAZVQOOGQOVGAJ-YJBOKZPZSA-N -1 0 314.385 1.243 20 30 DDEDRM C=C[C@](C)(CCOC)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000909710090 709590968 /nfs/dbraw/zinc/59/09/68/709590968.db2.gz DHWZROQJCUQMBW-CVEARBPZSA-N -1 0 313.394 1.555 20 30 DDEDRM C=CCC[C@@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(=O)[O-] ZINC000909716129 709594037 /nfs/dbraw/zinc/59/40/37/709594037.db2.gz PQZBPNQRPMULIM-ZWNOBZJWSA-N -1 0 306.366 1.326 20 30 DDEDRM C=CCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccn1)C(=O)[O-] ZINC000909718495 709595335 /nfs/dbraw/zinc/59/53/35/709595335.db2.gz PCNPCNYCKOHSHM-GJZGRUSLSA-N -1 0 317.389 1.582 20 30 DDEDRM C=CCOC[C@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)[O-] ZINC000909770908 709610654 /nfs/dbraw/zinc/61/06/54/709610654.db2.gz MNTOJJRPDYZURL-NSHDSACASA-N -1 0 324.402 1.790 20 30 DDEDRM C=CCOC[C@@H](NC(=O)c1ccc2c(c1)CCN2C)C(=O)[O-] ZINC000909772870 709612341 /nfs/dbraw/zinc/61/23/41/709612341.db2.gz XKNPINUIDALNDM-CYBMUJFWSA-N -1 0 304.346 1.065 20 30 DDEDRM C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000909799427 709627768 /nfs/dbraw/zinc/62/77/68/709627768.db2.gz FQBMJXLBARULPM-TVQRCGJNSA-N -1 0 309.293 1.115 20 30 DDEDRM C#CCO[C@H](C)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000909845892 709649992 /nfs/dbraw/zinc/64/99/92/709649992.db2.gz XNWYBXACYFGTHJ-CXAGYDPISA-N -1 0 303.358 1.574 20 30 DDEDRM C=C[C@@](C)(O)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000909950388 709704816 /nfs/dbraw/zinc/70/48/16/709704816.db2.gz GNGGPRTWCHZGNE-CXAGYDPISA-N -1 0 303.358 1.858 20 30 DDEDRM C#CC[C@@H](NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)C(=O)[O-] ZINC000910048096 709752049 /nfs/dbraw/zinc/75/20/49/709752049.db2.gz DIXOQASKCOJATF-UKRRQHHQSA-N -1 0 318.373 1.663 20 30 DDEDRM C#CC[C@@H](NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910051002 709754536 /nfs/dbraw/zinc/75/45/36/709754536.db2.gz DCXIUERXGNQOHQ-MNOVXSKESA-N -1 0 315.247 1.332 20 30 DDEDRM C#CC[C@H](NC(=O)CCSc1ccc(OC)cc1)C(=O)[O-] ZINC000910052548 709755577 /nfs/dbraw/zinc/75/55/77/709755577.db2.gz AUPWDFUNYIZWKA-ZDUSSCGKSA-N -1 0 307.371 1.770 20 30 DDEDRM C#CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)C(=O)[O-] ZINC000910053192 709755774 /nfs/dbraw/zinc/75/57/74/709755774.db2.gz OKPMYIQMPVBOLI-GXFFZTMASA-N -1 0 307.371 1.769 20 30 DDEDRM C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000910053954 709756435 /nfs/dbraw/zinc/75/64/35/709756435.db2.gz FWLSJDXPRLBLCY-IAQYHMDHSA-N -1 0 301.342 1.535 20 30 DDEDRM C=C(Cl)C[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)C(=O)[O-] ZINC000910264693 709848893 /nfs/dbraw/zinc/84/88/93/709848893.db2.gz CNJJGXHZNALJTG-DOMZBBRYSA-N -1 0 311.765 1.996 20 30 DDEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000910285508 709866241 /nfs/dbraw/zinc/86/62/41/709866241.db2.gz BARJNQXFINOGGT-CJNGLKHVSA-N -1 0 316.401 1.969 20 30 DDEDRM C#CCOc1ccc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)cc1 ZINC000910325548 709892717 /nfs/dbraw/zinc/89/27/17/709892717.db2.gz XHUXSHMTXOSDHU-INIZCTEOSA-N -1 0 303.314 1.014 20 30 DDEDRM C#CC[NH+]1CCC(C(=O)Nc2ccc(O)cc2C(=O)[O-])CC1 ZINC000910370557 709912259 /nfs/dbraw/zinc/91/22/59/709912259.db2.gz OVOICWQCHRUSJZ-UHFFFAOYSA-N -1 0 302.330 1.374 20 30 DDEDRM N#CCc1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000910581604 710009624 /nfs/dbraw/zinc/00/96/24/710009624.db2.gz LJORCBOWHPRLHW-ZIAGYGMSSA-N -1 0 302.330 1.505 20 30 DDEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C(=O)[O-] ZINC000910914310 710117090 /nfs/dbraw/zinc/11/70/90/710117090.db2.gz IYTGBKHNDSJKNZ-OLZOCXBDSA-N -1 0 310.394 1.559 20 30 DDEDRM C=CCCC[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)[O-] ZINC000910915665 710117758 /nfs/dbraw/zinc/11/77/58/710117758.db2.gz PBQUYRBUGBBKNW-ZDUSSCGKSA-N -1 0 314.345 1.807 20 30 DDEDRM C=CCCC[C@H](NC(=O)[C@](C)(O)Cc1ccccc1)C(=O)[O-] ZINC000910916040 710118007 /nfs/dbraw/zinc/11/80/07/710118007.db2.gz CSNXAAVWKDALSH-WMLDXEAASA-N -1 0 305.374 1.906 20 30 DDEDRM C=CCCC[C@@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-] ZINC000910917590 710118504 /nfs/dbraw/zinc/11/85/04/710118504.db2.gz RPSNPZRROSYRKX-CYBMUJFWSA-N -1 0 310.394 1.167 20 30 DDEDRM C=CCCC[C@H](NC(=O)c1cn(CCC(C)C)nn1)C(=O)[O-] ZINC000910918319 710119226 /nfs/dbraw/zinc/11/92/26/710119226.db2.gz XVVJCDCIVSKMEU-LBPRGKRZSA-N -1 0 308.382 1.864 20 30 DDEDRM C=CCCn1cc(CNc2ccc(OCC(=O)[O-])cc2)nn1 ZINC000901716824 710130921 /nfs/dbraw/zinc/13/09/21/710130921.db2.gz FJCPZJIATNZKON-UHFFFAOYSA-N -1 0 302.334 1.930 20 30 DDEDRM 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DDEDRM C#CCNC(=O)c1ccccc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000738462944 602961747 /nfs/dbraw/zinc/96/17/47/602961747.db2.gz GSUFNMHRDJKMDT-UHFFFAOYSA-N -1 0 317.345 1.424 20 30 DDEDRM N#Cc1ccc(OCCNC(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000831141072 602999962 /nfs/dbraw/zinc/99/99/62/602999962.db2.gz BLWYWOWAPJOHNL-CYBMUJFWSA-N -1 0 317.345 1.586 20 30 DDEDRM N#Cc1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000740312925 603019242 /nfs/dbraw/zinc/01/92/42/603019242.db2.gz GIZMMXFTNUBKIA-AWEZNQCLSA-N -1 0 310.313 1.692 20 30 DDEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCc1cc(C#N)ccc1F ZINC000824211033 603019987 /nfs/dbraw/zinc/01/99/87/603019987.db2.gz LWJDYHIEJOGOEB-CYBMUJFWSA-N -1 0 307.325 1.996 20 30 DDEDRM C#CCN1CCC[C@H]1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738462295 603021354 /nfs/dbraw/zinc/02/13/54/603021354.db2.gz YJBPENSTGDWOPE-GJZGRUSLSA-N -1 0 315.373 1.209 20 30 DDEDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000739203359 603100223 /nfs/dbraw/zinc/10/02/23/603100223.db2.gz RWOIEPKUXZJHSW-GWCFXTLKSA-N -1 0 317.345 1.678 20 30 DDEDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000739206475 603112834 /nfs/dbraw/zinc/11/28/34/603112834.db2.gz YQRCVIBCDHDMHE-TZMCWYRMSA-N -1 0 316.357 1.658 20 30 DDEDRM CN(C[C@H]1CCCN1S(=O)(=O)c1ccccc1C#N)C(=O)[O-] ZINC000828230544 603151749 /nfs/dbraw/zinc/15/17/49/603151749.db2.gz RJIOEHSIWQHGCS-GFCCVEGCSA-N -1 0 323.374 1.321 20 30 DDEDRM CN(C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000828229612 603151812 /nfs/dbraw/zinc/15/18/12/603151812.db2.gz GCSSDBPEROKCFB-GFCCVEGCSA-N -1 0 323.374 1.321 20 30 DDEDRM CN(C[C@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000828230216 603151968 /nfs/dbraw/zinc/15/19/68/603151968.db2.gz MYUJENYGNCYQNC-GFCCVEGCSA-N -1 0 323.374 1.321 20 30 DDEDRM N#CC1(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)CCC1 ZINC000740309968 603174624 /nfs/dbraw/zinc/17/46/24/603174624.db2.gz QFCYEQCOBMEBMA-UHFFFAOYSA-N -1 0 301.346 1.807 20 30 DDEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736700354 603194299 /nfs/dbraw/zinc/19/42/99/603194299.db2.gz JMQFCEXQEGQRKE-WCQYABFASA-N -1 0 317.345 1.584 20 30 DDEDRM N#CCCn1ccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000740308593 603208964 /nfs/dbraw/zinc/20/89/64/603208964.db2.gz MFTAVLMBEBWGRY-QWRGUYRKSA-N -1 0 305.338 1.562 20 30 DDEDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000739204239 603215801 /nfs/dbraw/zinc/21/58/01/603215801.db2.gz DGGDCXMKZCFFQT-BXKDBHETSA-N -1 0 318.333 1.186 20 30 DDEDRM C#CCOc1ccccc1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000738471307 603217790 /nfs/dbraw/zinc/21/77/90/603217790.db2.gz YIODZWCFWCYJIB-GFCCVEGCSA-N -1 0 320.370 1.368 20 30 DDEDRM C#CCOc1ccc(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738466704 603246472 /nfs/dbraw/zinc/24/64/72/603246472.db2.gz FBUSCTXVCPTVNU-ZDUSSCGKSA-N -1 0 316.357 1.818 20 30 DDEDRM COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000829268125 603298667 /nfs/dbraw/zinc/29/86/67/603298667.db2.gz BUHFZYGOTHKOAP-LLVKDONJSA-N -1 0 318.333 1.831 20 30 DDEDRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C(=O)[O-] ZINC000826015150 603306858 /nfs/dbraw/zinc/30/68/58/603306858.db2.gz ROXPXDGBQAGZHC-SECBINFHSA-N -1 0 306.297 1.913 20 30 DDEDRM CC(C)CCNC(=S)NN=C1CCC[C@@H]1CNC(=O)[O-] ZINC000738818115 603318949 /nfs/dbraw/zinc/31/89/49/603318949.db2.gz JVCVZYSCCLGHNN-SNVBAGLBSA-N -1 0 300.428 1.920 20 30 DDEDRM C#CCOc1cccc(NC(=O)N(C)CCCNC(=O)[O-])c1 ZINC000738466717 603319024 /nfs/dbraw/zinc/31/90/24/603319024.db2.gz FJDZPSBIGWFVRN-UHFFFAOYSA-N -1 0 305.334 1.820 20 30 DDEDRM C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CCN1C(=O)[O-] ZINC000826020323 603334300 /nfs/dbraw/zinc/33/43/00/603334300.db2.gz MMZDHCZRCLIKRS-JTQLQIEISA-N -1 0 306.326 1.013 20 30 DDEDRM N#CCCn1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000831097187 603335650 /nfs/dbraw/zinc/33/56/50/603335650.db2.gz FIVQWGCDXLWGGT-LLVKDONJSA-N -1 0 320.353 1.308 20 30 DDEDRM CCN(CC(=O)N(CCOC)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC000739385530 603378895 /nfs/dbraw/zinc/37/88/95/603378895.db2.gz AHSRNHHVRZHYBH-UHFFFAOYSA-N -1 0 319.361 1.533 20 30 DDEDRM N#Cc1ccc(OCCOC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831141316 603442233 /nfs/dbraw/zinc/44/22/33/603442233.db2.gz GSGYBEXQQIHEAP-CHWSQXEVSA-N -1 0 318.329 1.917 20 30 DDEDRM C[C@H]1CCCN(C(=O)C#Cc2ccccc2)[C@@H]1CNC(=O)[O-] ZINC000825901930 603686073 /nfs/dbraw/zinc/68/60/73/603686073.db2.gz UJTNQSLWEDLTBF-DZGCQCFKSA-N -1 0 300.358 1.933 20 30 DDEDRM C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000823463730 603691333 /nfs/dbraw/zinc/69/13/33/603691333.db2.gz VVHBYIUURQJASS-ZDUSSCGKSA-N -1 0 302.330 1.523 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1nccn1CC(F)(F)F ZINC000831092512 603729976 /nfs/dbraw/zinc/72/99/76/603729976.db2.gz WEFIIDJYQCQUBX-SECBINFHSA-N -1 0 317.271 1.133 20 30 DDEDRM C=C(C)COc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000823480811 603740129 /nfs/dbraw/zinc/74/01/29/603740129.db2.gz OYQAQOJGXIOFLF-TZMCWYRMSA-N -1 0 320.345 1.693 20 30 DDEDRM C=CCSCCNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000823516315 603743877 /nfs/dbraw/zinc/74/38/77/603743877.db2.gz GHDJACASPFUHNI-LLVKDONJSA-N -1 0 301.412 1.689 20 30 DDEDRM C[C@@H](NC(=O)[O-])C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000825196187 603783535 /nfs/dbraw/zinc/78/35/35/603783535.db2.gz ZJUGXRNLMSFNGO-MRVPVSSYSA-N -1 0 316.273 1.308 20 30 DDEDRM N#Cc1ccc(COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)c(F)c1 ZINC000831126983 603791598 /nfs/dbraw/zinc/79/15/98/603791598.db2.gz YLUOJLQDKMAAQQ-AWEZNQCLSA-N -1 0 310.256 1.833 20 30 DDEDRM N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000831131791 603799403 /nfs/dbraw/zinc/79/94/03/603799403.db2.gz AWQHPVHAPCWYNT-GFCCVEGCSA-N -1 0 320.324 1.639 20 30 DDEDRM Cc1nc2ccccc2c(=O)n1N=CC1CCN(C(=O)[O-])CC1 ZINC000830793808 603855780 /nfs/dbraw/zinc/85/57/80/603855780.db2.gz WBJAMYBGZBZGDG-UHFFFAOYSA-N -1 0 314.345 1.929 20 30 DDEDRM C=CCOc1ccccc1CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823516446 603889263 /nfs/dbraw/zinc/88/92/63/603889263.db2.gz LBHHHYSQHAMPDQ-MRXNPFEDSA-N -1 0 322.336 1.960 20 30 DDEDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000826125587 603898560 /nfs/dbraw/zinc/89/85/60/603898560.db2.gz IYGUREDVOJGQDM-GZMMTYOYSA-N -1 0 306.322 1.120 20 30 DDEDRM CC1(C)CN(C(=O)[O-])CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000825728852 603915502 /nfs/dbraw/zinc/91/55/02/603915502.db2.gz CQDDPIHEFWPSAS-UHFFFAOYSA-N -1 0 322.409 1.403 20 30 DDEDRM C#CCN1CCC[C@H]1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823450588 603947134 /nfs/dbraw/zinc/94/71/34/603947134.db2.gz DMXPXBMTOPDCLO-HNNXBMFYSA-N -1 0 313.357 1.763 20 30 DDEDRM N#CCOc1cccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000831109211 603950261 /nfs/dbraw/zinc/95/02/61/603950261.db2.gz CXAATRCSMOZBOA-ZYHUDNBSSA-N -1 0 303.318 1.964 20 30 DDEDRM N#CCN(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C1CC1 ZINC000831097625 603958091 /nfs/dbraw/zinc/95/80/91/603958091.db2.gz NWAPIDDJSHNMCM-CYBMUJFWSA-N -1 0 301.346 1.770 20 30 DDEDRM Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c(C#N)c1C ZINC000830887195 604058727 /nfs/dbraw/zinc/05/87/27/604058727.db2.gz BYBVNNDXXHPPRE-VXGBXAGGSA-N -1 0 303.366 1.838 20 30 DDEDRM CC(C)Cc1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cs1 ZINC000824311162 604072091 /nfs/dbraw/zinc/07/20/91/604072091.db2.gz KFAVSHBQWLQWLU-SNVBAGLBSA-N -1 0 322.390 1.670 20 30 DDEDRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000823527156 604079435 /nfs/dbraw/zinc/07/94/35/604079435.db2.gz HRIQHRZRENDSKV-ZHZWZMEUSA-N -1 0 317.320 1.943 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CCc2ccccc21 ZINC000831082369 604080296 /nfs/dbraw/zinc/08/02/96/604080296.db2.gz LJGPSFGQKRLVNL-ZIAGYGMSSA-N -1 0 313.357 1.821 20 30 DDEDRM CCc1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1 ZINC000827583803 604088578 /nfs/dbraw/zinc/08/85/78/604088578.db2.gz MPLZZWUOAHZBEI-AWEZNQCLSA-N -1 0 301.346 1.506 20 30 DDEDRM Cc1cc(NC(=O)CC2(NC(=O)[O-])CCC2)n(CCC#N)n1 ZINC000830103523 604115879 /nfs/dbraw/zinc/11/58/79/604115879.db2.gz IPZIVTTWUSQFMM-UHFFFAOYSA-N -1 0 305.338 1.624 20 30 DDEDRM COc1cccc(C#CCOC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000829531311 604159863 /nfs/dbraw/zinc/15/98/63/604159863.db2.gz HLZMJSRJNQIXDZ-CQSZACIVSA-N -1 0 317.341 1.980 20 30 DDEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CC(C)(C)NC(=O)[O-])nc21 ZINC000830611063 604190586 /nfs/dbraw/zinc/19/05/86/604190586.db2.gz FCHGZUXVPNRFCZ-VIFPVBQESA-N -1 0 315.333 1.879 20 30 DDEDRM C#CCN(CC#CC)C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823451318 604218081 /nfs/dbraw/zinc/21/80/81/604218081.db2.gz SHKDMVGEDWSVEF-OAHLLOKOSA-N -1 0 313.357 1.663 20 30 DDEDRM N#C[C@H](C(=O)CC1(NC(=O)[O-])CCC1)C(=O)Nc1ccccc1 ZINC000831066704 604253761 /nfs/dbraw/zinc/25/37/61/604253761.db2.gz YJOQBSMXXVJBFS-GFCCVEGCSA-N -1 0 315.329 1.914 20 30 DDEDRM Cc1ccc(OCCCC(=O)N(CC#N)CC(=O)[O-])c(C)c1 ZINC000832951164 604284986 /nfs/dbraw/zinc/28/49/86/604284986.db2.gz KPHYMLYKJDRCFI-UHFFFAOYSA-N -1 0 304.346 1.899 20 30 DDEDRM CC(C)(CNC(=O)[O-])NC(=O)Nc1cccc(OCC#N)c1 ZINC000823990474 604388811 /nfs/dbraw/zinc/38/88/11/604388811.db2.gz DQPUNQUHJOUGPI-UHFFFAOYSA-N -1 0 306.322 1.757 20 30 DDEDRM C=CCNC(=O)COC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823506177 604537890 /nfs/dbraw/zinc/53/78/90/604537890.db2.gz CJXNISMEAUTUHZ-NWDGAFQWSA-N -1 0 312.366 1.248 20 30 DDEDRM N#Cc1c(Cn2cc(Cl)c(=O)[nH]c2=O)cccc1C(=O)[O-] ZINC000833761313 604553002 /nfs/dbraw/zinc/55/30/02/604553002.db2.gz UGVYYIQWWJQKKX-UHFFFAOYSA-N -1 0 305.677 1.220 20 30 DDEDRM C#CCOCCC(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833364135 604587352 /nfs/dbraw/zinc/58/73/52/604587352.db2.gz KGEUGDDWGIIVQS-LLVKDONJSA-N -1 0 321.329 1.484 20 30 DDEDRM N#Cc1ccccc1NC(=O)CCCC(=O)NCCCC(=O)[O-] ZINC000833075162 604589576 /nfs/dbraw/zinc/58/95/76/604589576.db2.gz MVZRIOGOGKXGBM-UHFFFAOYSA-N -1 0 317.345 1.648 20 30 DDEDRM C[C@H]([C@H](C)N(C)Cc1cccc(C(=O)[O-])c1C#N)S(C)(=O)=O ZINC000833406715 604609855 /nfs/dbraw/zinc/60/98/55/604609855.db2.gz 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C=CCC[C@@H](NC(=O)c1cc(C)nc2onc(C)c21)C(=O)[O-] ZINC000262797923 222294754 /nfs/dbraw/zinc/29/47/54/222294754.db2.gz CKHLPJBHQOHVQP-LLVKDONJSA-N -1 0 303.318 1.989 20 30 DDEDRM C=CCOC[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)C(=O)[O-] ZINC000263105991 222304311 /nfs/dbraw/zinc/30/43/11/222304311.db2.gz ULGWAJRCBGJRPW-LBPRGKRZSA-N -1 0 309.366 1.332 20 30 DDEDRM CC(=O)c1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)nc1C ZINC000362838516 418760445 /nfs/dbraw/zinc/76/04/45/418760445.db2.gz FDQIMKVRTWTLFI-UHFFFAOYSA-N -1 0 308.301 1.620 20 30 DDEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000364161943 418773794 /nfs/dbraw/zinc/77/37/94/418773794.db2.gz VIFUUZFABSDUCD-VXGBXAGGSA-N -1 0 324.385 1.071 20 30 DDEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422823867 419969551 /nfs/dbraw/zinc/96/95/51/419969551.db2.gz MLCNNKHBBCEDJW-ZDUSSCGKSA-N -1 0 324.421 1.760 20 30 DDEDRM C=C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420594172 420326879 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CC[C@H](C)[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-] ZINC000547916945 341239138 /nfs/dbraw/zinc/23/91/38/341239138.db2.gz PUEKRBVWFAQYGE-QWRGUYRKSA-N -1 0 302.396 1.489 20 30 DDEDRM C=CCCS(=O)(=O)N1CC[C@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000547929127 341239493 /nfs/dbraw/zinc/23/94/93/341239493.db2.gz CNAHXQGCEOFHGH-KGLIPLIRSA-N -1 0 309.387 1.835 20 30 DDEDRM N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000547933543 341239533 /nfs/dbraw/zinc/23/95/33/341239533.db2.gz NGIWCVXFRKNVOY-VIFPVBQESA-N -1 0 300.361 1.097 20 30 DDEDRM C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000662914977 484537786 /nfs/dbraw/zinc/53/77/86/484537786.db2.gz VKPLFUINADKPHI-ZIAGYGMSSA-N -1 0 322.405 1.514 20 30 DDEDRM C=CCOC[C@@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C(=O)[O-] ZINC000659157691 484661104 /nfs/dbraw/zinc/66/11/04/484661104.db2.gz WDUOJIDJKJDWIP-KGLIPLIRSA-N -1 0 323.345 1.155 20 30 DDEDRM C=CC[C@H](NS(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000682895975 485817053 /nfs/dbraw/zinc/81/70/53/485817053.db2.gz FHFPGOKRKUFUTK-QMMMGPOBSA-N -1 0 324.280 1.408 20 30 DDEDRM Cc1c(C#N)cccc1NC(=O)C(=O)NCCCCCC(=O)[O-] ZINC000422653782 533722144 /nfs/dbraw/zinc/72/21/44/533722144.db2.gz ZKEYMSDDQMRQHX-UHFFFAOYSA-N -1 0 317.345 1.566 20 30 DDEDRM COc1cccc(S([O-])=CC(=O)N2CCC(C#N)CC2)c1 ZINC000424630413 533813860 /nfs/dbraw/zinc/81/38/60/533813860.db2.gz STAKWFJALXNNAR-OAQYLSRUSA-N -1 0 306.387 1.565 20 30 DDEDRM COc1cccc(S([O-])=CC(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000424706617 533819996 /nfs/dbraw/zinc/81/99/96/533819996.db2.gz KOJZMMOXVGXOAG-YEJXKQKISA-N -1 0 308.403 1.857 20 30 DDEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000422684442 534076317 /nfs/dbraw/zinc/07/63/17/534076317.db2.gz FAPYGXGCTSLFCA-CMPLNLGQSA-N -1 0 315.329 1.066 20 30 DDEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000425131543 534076806 /nfs/dbraw/zinc/07/68/06/534076806.db2.gz PVAQNCNUUSRIKT-VIFPVBQESA-N -1 0 317.374 1.694 20 30 DDEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000163328888 526195454 /nfs/dbraw/zinc/19/54/54/526195454.db2.gz YZKICPKNZNHADM-UHFFFAOYSA-N -1 0 313.342 1.710 20 30 DDEDRM C=C[C@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451573659 527594247 /nfs/dbraw/zinc/59/42/47/527594247.db2.gz YTDUANWQFVGNJS-MRVPVSSYSA-N -1 0 311.281 1.236 20 30 DDEDRM CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-] ZINC000422659894 528351785 /nfs/dbraw/zinc/35/17/85/528351785.db2.gz AYZPEWHMIRLRJP-GFCCVEGCSA-N -1 0 303.318 1.112 20 30 DDEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1 ZINC000360187941 529271288 /nfs/dbraw/zinc/27/12/88/529271288.db2.gz JCXIQJFXORCBFR-NSHDSACASA-N -1 0 307.375 1.623 20 30 DDEDRM CC[C@H]1CN(C(=O)N=c2cn[n-]s2)C[C@H]1N1CCOCC1 ZINC000330239150 529285277 /nfs/dbraw/zinc/28/52/77/529285277.db2.gz DQHGLGKGVYCFLF-WDEREUQCSA-N -1 0 311.411 1.126 20 30 DDEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000738893172 597043287 /nfs/dbraw/zinc/04/32/87/597043287.db2.gz LWBHMLGPEJRSKX-VIFPVBQESA-N -1 0 321.358 1.220 20 30 DDEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000817853479 597501001 /nfs/dbraw/zinc/50/10/01/597501001.db2.gz OQLYLKWHSKNXRO-UKRRQHHQSA-N -1 0 316.357 1.895 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000819821657 597603339 /nfs/dbraw/zinc/60/33/39/597603339.db2.gz IXZRPRGZOHIXAB-XTWPYSKKSA-N -1 0 306.362 1.455 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000819832733 597609074 /nfs/dbraw/zinc/60/90/74/597609074.db2.gz CRHUTDACYDHZBZ-SMDDNHRTSA-N -1 0 310.350 1.183 20 30 DDEDRM COCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C)o1 ZINC000820715194 597609791 /nfs/dbraw/zinc/60/97/91/597609791.db2.gz PTQONMXYJFGHJZ-XHDPSFHLSA-N -1 0 308.334 1.786 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nc(N)c2ccccc2n1 ZINC000819874123 597612949 /nfs/dbraw/zinc/61/29/49/597612949.db2.gz HTJOFTXCWWYZOT-HNNXBMFYSA-N -1 0 314.301 1.260 20 30 DDEDRM Cc1c(COC(=O)[C@](C)(C#N)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000820944523 597613609 /nfs/dbraw/zinc/61/36/09/597613609.db2.gz CLTPDLGRDZMUJU-AWEZNQCLSA-N -1 0 306.274 1.951 20 30 DDEDRM CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1 ZINC000820332709 597614283 /nfs/dbraw/zinc/61/42/83/597614283.db2.gz FHEOIQYMJJVBGU-INIZCTEOSA-N -1 0 318.329 1.587 20 30 DDEDRM COc1cc(C)ccc1C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820763963 597616042 /nfs/dbraw/zinc/61/60/42/597616042.db2.gz PAYMSBSBFNHMFG-INIZCTEOSA-N -1 0 319.313 1.734 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1ccc(C#N)cc1 ZINC000819866337 597618474 /nfs/dbraw/zinc/61/84/74/597618474.db2.gz VZGFAMNXBPAFOF-OAHLLOKOSA-N -1 0 302.286 1.485 20 30 DDEDRM CC(C)(C)CC(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC000819908615 597633664 /nfs/dbraw/zinc/63/36/64/597633664.db2.gz ISFNFIXXHGEWRW-INIZCTEOSA-N -1 0 323.393 1.098 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000819821749 597642543 /nfs/dbraw/zinc/64/25/43/597642543.db2.gz JMZUKZJXKVEZBE-XJKSGUPXSA-N -1 0 320.320 1.730 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCSc1nccs1 ZINC000819834273 597646962 /nfs/dbraw/zinc/64/69/62/597646962.db2.gz MJQYJKDNNVUNBI-LBPRGKRZSA-N -1 0 313.404 1.746 20 30 DDEDRM Cn1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C(F)(F)F)n1 ZINC000821287062 597659311 /nfs/dbraw/zinc/65/93/11/597659311.db2.gz DGIQQNOVYHSTOA-LLVKDONJSA-N -1 0 318.255 1.060 20 30 DDEDRM CC(=O)NCCN(CC#Cc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000819770096 597673485 /nfs/dbraw/zinc/67/34/85/597673485.db2.gz HDVHTNKWWMVZIQ-GFCCVEGCSA-N -1 0 322.792 1.603 20 30 DDEDRM CC(=NNCCC(=O)[O-])c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000819726844 597738929 /nfs/dbraw/zinc/73/89/29/597738929.db2.gz UBHQKYOYSNQIBH-UHFFFAOYSA-N -1 0 324.293 1.908 20 30 DDEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC(=O)[O-])C(C)C ZINC000821216460 598074635 /nfs/dbraw/zinc/07/46/35/598074635.db2.gz CDJASMQKDMNXKR-UHFFFAOYSA-N -1 0 320.393 1.668 20 30 DDEDRM N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320412 598148731 /nfs/dbraw/zinc/14/87/31/598148731.db2.gz PGPAHGUYMUQQCQ-GFCCVEGCSA-N -1 0 309.281 1.741 20 30 DDEDRM Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821098774 598222819 /nfs/dbraw/zinc/22/28/19/598222819.db2.gz QGQISQXMDIPZLH-CQSZACIVSA-N -1 0 324.358 1.342 20 30 DDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000819832644 598224241 /nfs/dbraw/zinc/22/42/41/598224241.db2.gz CDQUWRLJUIJTAX-OAHLLOKOSA-N -1 0 304.321 1.978 20 30 DDEDRM CN(CCCNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1F ZINC000820592078 598224798 /nfs/dbraw/zinc/22/47/98/598224798.db2.gz GRJHQFGXUVDUSQ-INIZCTEOSA-N -1 0 321.352 1.773 20 30 DDEDRM CCOC(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820373550 598225047 /nfs/dbraw/zinc/22/50/47/598225047.db2.gz BXZVUCGROVMIAI-MRXNPFEDSA-N -1 0 318.329 1.484 20 30 DDEDRM CCCOc1ncccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820326085 598225319 /nfs/dbraw/zinc/22/53/19/598225319.db2.gz RWVHNAMDGCMDRN-HNNXBMFYSA-N -1 0 305.334 1.491 20 30 DDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000819857741 598225836 /nfs/dbraw/zinc/22/58/36/598225836.db2.gz ZPMSHHUXRCZUMG-AWEZNQCLSA-N -1 0 324.358 1.174 20 30 DDEDRM COCc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1F ZINC000820743620 598227086 /nfs/dbraw/zinc/22/70/86/598227086.db2.gz INVFPYCARBZTMI-HNNXBMFYSA-N -1 0 308.309 1.593 20 30 DDEDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821190287 598228041 /nfs/dbraw/zinc/22/80/41/598228041.db2.gz SPVZANUCSFVUHZ-SWLSCSKDSA-N -1 0 302.334 1.283 20 30 DDEDRM Cc1cc(F)ccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000822206250 607357673 /nfs/dbraw/zinc/35/76/73/607357673.db2.gz ZVESGUCTSPEQMB-UHFFFAOYSA-N -1 0 312.268 1.161 20 30 DDEDRM N#Cc1cccc(CNC(=O)CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000739133907 599782026 /nfs/dbraw/zinc/78/20/26/599782026.db2.gz RZJZAFRQKODIFL-QGZVFWFLSA-N -1 0 323.352 1.590 20 30 DDEDRM O=C([O-])c1coc(C2=NN/C(=N/CC(F)(F)F)SC2)c1 ZINC000740268570 599859223 /nfs/dbraw/zinc/85/92/23/599859223.db2.gz HLBYZAISRWGRTI-UHFFFAOYSA-N -1 0 307.253 1.937 20 30 DDEDRM C#CCN(Cc1cccc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736079906 599928078 /nfs/dbraw/zinc/92/80/78/599928078.db2.gz OOUITPUAOYMFQA-CQSZACIVSA-N -1 0 307.371 1.007 20 30 DDEDRM C#CCN(Cc1cccc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000736079899 599928086 /nfs/dbraw/zinc/92/80/86/599928086.db2.gz OOUITPUAOYMFQA-AWEZNQCLSA-N -1 0 307.371 1.007 20 30 DDEDRM N#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000739085828 599928607 /nfs/dbraw/zinc/92/86/07/599928607.db2.gz LBFXVFFUKXUIMU-LLVKDONJSA-N -1 0 315.251 1.060 20 30 DDEDRM C#Cc1ccc(C(=O)OCCOc2cccc(C(=O)[O-])c2)cn1 ZINC000736092800 600118756 /nfs/dbraw/zinc/11/87/56/600118756.db2.gz LEPYCLPDFZNNBD-UHFFFAOYSA-N -1 0 311.293 1.997 20 30 DDEDRM C#Cc1cccc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000736090615 600119609 /nfs/dbraw/zinc/11/96/09/600119609.db2.gz DYODDANELXBQTD-UHFFFAOYSA-N -1 0 314.341 1.366 20 30 DDEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)CNC(=O)[O-] ZINC000739146040 600131994 /nfs/dbraw/zinc/13/19/94/600131994.db2.gz YYEXGNKXLHGDFP-UHFFFAOYSA-N -1 0 315.285 1.296 20 30 DDEDRM N#Cc1ccc(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000739118571 600143186 /nfs/dbraw/zinc/14/31/86/600143186.db2.gz TXGOPQFQHSKIAV-UHFFFAOYSA-N -1 0 313.265 1.818 20 30 DDEDRM C=CCN(CC=C)C(=O)CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736108570 600214576 /nfs/dbraw/zinc/21/45/76/600214576.db2.gz ZXUPQQBUZCJBHR-INIZCTEOSA-N -1 0 302.374 1.945 20 30 DDEDRM N#Cc1ccccc1/C=C\C(=O)NCCSCCC(=O)[O-] ZINC000739140692 600254749 /nfs/dbraw/zinc/25/47/49/600254749.db2.gz YNLGIEGZXAAGGT-WAYWQWQTSA-N -1 0 304.371 1.896 20 30 DDEDRM N#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2cccnc2)n1 ZINC000739078207 600401498 /nfs/dbraw/zinc/40/14/98/600401498.db2.gz BRDSZHVJRNDVRQ-UHFFFAOYSA-N -1 0 316.342 1.184 20 30 DDEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000739088447 600403706 /nfs/dbraw/zinc/40/37/06/600403706.db2.gz USVSEZPVIZIGBA-UHFFFAOYSA-N 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315.337 1.342 20 30 DDEDRM N#CCOc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833968313 605538001 /nfs/dbraw/zinc/53/80/01/605538001.db2.gz RSNSHAARRBMPTK-NSHDSACASA-N -1 0 303.318 1.319 20 30 DDEDRM COC(=O)c1cc(C(=O)[O-])n(Cc2cc(F)ccc2C#N)n1 ZINC000833711888 605583723 /nfs/dbraw/zinc/58/37/23/605583723.db2.gz MNROZMRHPWEHQR-UHFFFAOYSA-N -1 0 303.249 1.427 20 30 DDEDRM N#C[C@@H](OC(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1)C1CC1 ZINC000833964716 605591628 /nfs/dbraw/zinc/59/16/28/605591628.db2.gz NVMASVCLXUXRQF-CHWSQXEVSA-N -1 0 318.333 1.657 20 30 DDEDRM N#CC1(OC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)CCC1 ZINC000833963433 605593867 /nfs/dbraw/zinc/59/38/67/605593867.db2.gz MJCXIXFHSZLJMM-LBPRGKRZSA-N -1 0 318.333 1.801 20 30 DDEDRM C=CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000383633610 605614572 /nfs/dbraw/zinc/61/45/72/605614572.db2.gz ZIEHEJOUCDDIPE-UHFFFAOYSA-N -1 0 319.766 1.519 20 30 DDEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000833431775 605626253 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311.382 1.938 20 30 DDEDRM C=CC(C)(C)CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC000902742296 710886237 /nfs/dbraw/zinc/88/62/37/710886237.db2.gz NHEVTCRETIBUQC-VMBJYNEYSA-N -1 0 323.389 1.701 20 30 DDEDRM C#CCO[C@@H](C)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC000911770252 710975408 /nfs/dbraw/zinc/97/54/08/710975408.db2.gz NALJLGGMKXBZCV-NSHDSACASA-N -1 0 322.386 1.133 20 30 DDEDRM C#CCCCS(=O)(=O)[N-]c1nn(CC)cc1C(=O)OCC ZINC000903674296 711242623 /nfs/dbraw/zinc/24/26/23/711242623.db2.gz BFUAFSKHWJQIJW-UHFFFAOYSA-N -1 0 313.379 1.235 20 30 DDEDRM C#CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1CSC1 ZINC000912366001 711293737 /nfs/dbraw/zinc/29/37/37/711293737.db2.gz CDCFDQCUJOLQBC-JTQLQIEISA-N -1 0 322.352 1.267 20 30 DDEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC000903844326 711299944 /nfs/dbraw/zinc/29/99/44/711299944.db2.gz ICUMTZAADVOFMH-ZDUSSCGKSA-N -1 0 308.359 1.164 20 30 DDEDRM CC(F)(F)CCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1 ZINC000903852302 711302572 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603310707 /nfs/dbraw/zinc/31/07/07/603310707.db2.gz UJBAPXIVIFSIII-JSGCOSHPSA-N -1 0 317.345 1.490 20 30 DDEDRM C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CCN1C(=O)[O-] ZINC000739180193 603375046 /nfs/dbraw/zinc/37/50/46/603375046.db2.gz YIRVYGZWXCKVOW-SNVBAGLBSA-N -1 0 304.375 1.939 20 30 DDEDRM O=C([O-])Nc1ccc(C=NNS(=O)(=O)c2ccccc2)cn1 ZINC000832839962 603485028 /nfs/dbraw/zinc/48/50/28/603485028.db2.gz AFGAGNPDSJRFPT-UHFFFAOYSA-N -1 0 320.330 1.484 20 30 DDEDRM COC(=O)[C@H](NC[C@@H](NC(=O)[O-])C(C)C)c1cccc(C#N)c1 ZINC000828613200 603565487 /nfs/dbraw/zinc/56/54/87/603565487.db2.gz VEFLUZCANUAQBK-ZIAGYGMSSA-N -1 0 319.361 1.654 20 30 DDEDRM COCc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1 ZINC000829039702 603588133 /nfs/dbraw/zinc/58/81/33/603588133.db2.gz ABGFUNQWGZAVCJ-ZDUSSCGKSA-N -1 0 303.318 1.161 20 30 DDEDRM COc1cc(C#N)ccc1OCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000829076564 603658130 /nfs/dbraw/zinc/65/81/30/603658130.db2.gz HVSXBUMRRYRNTQ-UHFFFAOYSA-N -1 0 321.333 1.108 20 30 DDEDRM C[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)[C@H]1CNC(=O)[O-] ZINC000825912384 603663447 /nfs/dbraw/zinc/66/34/47/603663447.db2.gz IGWGFWPGZZYYIS-MFKMUULPSA-N -1 0 302.334 1.462 20 30 DDEDRM N#Cc1cccc(OCCN2CCN(C(=O)[O-])C[C@H]2C#N)c1 ZINC000831153020 603729856 /nfs/dbraw/zinc/72/98/56/603729856.db2.gz VHGXVKKTHYZYNE-CYBMUJFWSA-N -1 0 300.318 1.125 20 30 DDEDRM C=CCSCCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823516623 603741672 /nfs/dbraw/zinc/74/16/72/603741672.db2.gz QFHQCVSGPQJRBT-GHMZBOCLSA-N -1 0 301.412 1.641 20 30 DDEDRM C[C@@H]1CCCN(S(=O)(=O)CCCCC#N)[C@@H]1CNC(=O)[O-] ZINC000825931193 603759082 /nfs/dbraw/zinc/75/90/82/603759082.db2.gz HQGFSOZBNXTQNA-VXGBXAGGSA-N -1 0 317.411 1.378 20 30 DDEDRM N#CCc1cccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000831109524 603772696 /nfs/dbraw/zinc/77/26/96/603772696.db2.gz LMAPZJFVRRBGGD-CYBMUJFWSA-N -1 0 302.286 1.231 20 30 DDEDRM C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823721846 603799414 /nfs/dbraw/zinc/79/94/14/603799414.db2.gz AHZAZNGUASLUNP-AAEUAGOBSA-N -1 0 316.361 1.569 20 30 DDEDRM C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CCN1C(=O)[O-] ZINC000826007482 603900438 /nfs/dbraw/zinc/90/04/38/603900438.db2.gz KTJRUGOILNXGFZ-SNVBAGLBSA-N -1 0 320.324 1.591 20 30 DDEDRM CC(C)(NC(=O)[O-])c1noc(CN(CCC#N)CC2CC2)n1 ZINC000824029502 603907423 /nfs/dbraw/zinc/90/74/23/603907423.db2.gz HNTBMPGQFSRTEK-UHFFFAOYSA-N -1 0 307.354 1.698 20 30 DDEDRM C[C@@H](NC(=O)N(C)CCCNC(=O)[O-])c1cccc(C#N)c1 ZINC000825136767 603917484 /nfs/dbraw/zinc/91/74/84/603917484.db2.gz UVBWBGANAHYSHE-LLVKDONJSA-N -1 0 304.350 1.918 20 30 DDEDRM C[C@H](C#N)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000823647753 603931142 /nfs/dbraw/zinc/93/11/42/603931142.db2.gz NHMUNQYLQYMJQP-ZWNOBZJWSA-N -1 0 304.350 1.337 20 30 DDEDRM N#C[C@@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C1CC1 ZINC000831070654 603975896 /nfs/dbraw/zinc/97/58/96/603975896.db2.gz PMNOYTCXJCUSGA-ZIAGYGMSSA-N -1 0 301.346 1.674 20 30 DDEDRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])c1cccc(C#N)c1 ZINC000825091796 604010639 /nfs/dbraw/zinc/01/06/39/604010639.db2.gz CYBXZPAHNVBMGP-GXFFZTMASA-N -1 0 303.318 1.114 20 30 DDEDRM N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-] ZINC000831076037 604029473 /nfs/dbraw/zinc/02/94/73/604029473.db2.gz GFNAFLACYYIRLO-AEGPPILISA-N -1 0 313.357 1.900 20 30 DDEDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000825282074 604053912 /nfs/dbraw/zinc/05/39/12/604053912.db2.gz XMYARLCQSCZUIX-ZJUUUORDSA-N -1 0 319.321 1.734 20 30 DDEDRM Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C#N)c1C ZINC000830887192 604058548 /nfs/dbraw/zinc/05/85/48/604058548.db2.gz BYBVNNDXXHPPRE-NEPJUHHUSA-N -1 0 303.366 1.838 20 30 DDEDRM Cc1cc(C)n([C@@H](C)CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1 ZINC000830018065 604076082 /nfs/dbraw/zinc/07/60/82/604076082.db2.gz UFJGFUGMOVSPOR-STQMWFEESA-N -1 0 319.365 1.165 20 30 DDEDRM COc1ccc(/C=C\C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1 ZINC000829332738 604083170 /nfs/dbraw/zinc/08/31/70/604083170.db2.gz UFWQWQBYFYGWSZ-IRBQFCFKSA-N -1 0 315.329 1.423 20 30 DDEDRM C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[C@@H]1NC(=O)[O-] ZINC000826033866 604221650 /nfs/dbraw/zinc/22/16/50/604221650.db2.gz CLWICXOQJVSYCD-UFBFGSQYSA-N -1 0 323.299 1.955 20 30 DDEDRM N#CCN(CC(=O)[O-])Cc1ccc(OCC(F)(F)F)nc1 ZINC000833067115 604350694 /nfs/dbraw/zinc/35/06/94/604350694.db2.gz PPYBQSBCGFTOQR-UHFFFAOYSA-N -1 0 303.240 1.433 20 30 DDEDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cc1cccc(C#N)c1 ZINC000827007092 604431001 /nfs/dbraw/zinc/43/10/01/604431001.db2.gz SBOJZTTUGLJOGD-CQSZACIVSA-N -1 0 304.346 1.437 20 30 DDEDRM C[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000826087705 604442384 /nfs/dbraw/zinc/44/23/84/604442384.db2.gz QYOSDSQQIISVGQ-WPRPVWTQSA-N -1 0 305.294 1.344 20 30 DDEDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc(C#N)cc1 ZINC000827001997 604445384 /nfs/dbraw/zinc/44/53/84/604445384.db2.gz UMUNFNPXARGZOL-AWEZNQCLSA-N -1 0 320.345 1.274 20 30 DDEDRM C[C@@H](NC(=O)[O-])[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CCO1 ZINC000825371212 604452654 /nfs/dbraw/zinc/45/26/54/604452654.db2.gz DLFKAVOXPNOWBA-KCJUWKMLSA-N -1 0 310.741 1.468 20 30 DDEDRM C[C@H](NC(=O)[O-])[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000825371275 604453170 /nfs/dbraw/zinc/45/31/70/604453170.db2.gz FAVKSBXPLYFBQY-ZANVPECISA-N -1 0 320.305 1.328 20 30 DDEDRM N#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000831102638 604564241 /nfs/dbraw/zinc/56/42/41/604564241.db2.gz POCMXBPIRYZEPT-NSHDSACASA-N -1 0 307.281 1.809 20 30 DDEDRM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833665833 604610637 /nfs/dbraw/zinc/61/06/37/604610637.db2.gz NLTWMJWYNNYLQM-LLVKDONJSA-N -1 0 324.402 1.511 20 30 DDEDRM N#CCCCOc1cccc(CN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000821320384 604629548 /nfs/dbraw/zinc/62/95/48/604629548.db2.gz NRGBKHPZWDZSCY-OAHLLOKOSA-N -1 0 304.346 1.655 20 30 DDEDRM CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@@H](C)CCCCC(=O)[O-] ZINC000814843011 604638926 /nfs/dbraw/zinc/63/89/26/604638926.db2.gz JHDNSEUBUAFXMP-QMMMGPOBSA-N -1 0 320.353 1.501 20 30 DDEDRM CN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828365800 604693603 /nfs/dbraw/zinc/69/36/03/604693603.db2.gz HPKMWGZPWXKDTG-AWEZNQCLSA-N -1 0 317.345 1.286 20 30 DDEDRM C=CCOc1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000823516193 604746619 /nfs/dbraw/zinc/74/66/19/604746619.db2.gz BYEMSDCVDCZHHB-CYBMUJFWSA-N -1 0 306.318 1.569 20 30 DDEDRM C=CCNc1ncc(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)s1 ZINC000823511054 604812476 /nfs/dbraw/zinc/81/24/76/604812476.db2.gz OJGWDWJEUUZOHK-JTQLQIEISA-N -1 0 324.406 1.861 20 30 DDEDRM CC(C)N(CCC(=O)[O-])C(=O)Cc1cccc(OCC#N)c1 ZINC000833496614 604908015 /nfs/dbraw/zinc/90/80/15/604908015.db2.gz FYSVVZYUFBJVBG-UHFFFAOYSA-N -1 0 304.346 1.843 20 30 DDEDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)NCC1CCC1 ZINC000833408509 605040321 /nfs/dbraw/zinc/04/03/21/605040321.db2.gz ZGKCLYKHKBIBLF-SNVBAGLBSA-N -1 0 308.407 1.732 20 30 DDEDRM N#C[C@@H](COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)Cc1ccccc1 ZINC000831066818 605086587 /nfs/dbraw/zinc/08/65/87/605086587.db2.gz ZHLRAPCEPSPPNV-KBPBESRZSA-N -1 0 318.329 1.291 20 30 DDEDRM CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833408327 605122359 /nfs/dbraw/zinc/12/23/59/605122359.db2.gz ROWNSCNCBQMESB-UHFFFAOYSA-N -1 0 307.281 1.128 20 30 DDEDRM C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000823457151 605233918 /nfs/dbraw/zinc/23/39/18/605233918.db2.gz VNYHGVILYKGIEE-VXGBXAGGSA-N -1 0 324.377 1.084 20 30 DDEDRM O=C([O-])NC[C@H]1CCCC1=NNC(=S)Nc1ccccn1 ZINC000832451765 605241723 /nfs/dbraw/zinc/24/17/23/605241723.db2.gz PHJXCPJRYUSMOX-SECBINFHSA-N -1 0 307.379 1.792 20 30 DDEDRM C=C(C)CN(CC)C(=O)Cn1nc(C(=O)[O-])c2c1CCCC2 ZINC000833369447 605297723 /nfs/dbraw/zinc/29/77/23/605297723.db2.gz YVBIEEGVVYCXBV-UHFFFAOYSA-N -1 0 305.378 1.885 20 30 DDEDRM C=CCn1nnnc1S[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833381007 605334283 /nfs/dbraw/zinc/33/42/83/605334283.db2.gz XNKKOKHWHLQBAY-LLVKDONJSA-N -1 0 308.338 1.786 20 30 DDEDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CNc1ccc(C#N)cc1 ZINC000825807046 605362310 /nfs/dbraw/zinc/36/23/10/605362310.db2.gz AXRXEXJKOAFROY-BXUZGUMPSA-N -1 0 316.361 1.617 20 30 DDEDRM COC[C@](C)(C#N)NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828886119 605400617 /nfs/dbraw/zinc/40/06/17/605400617.db2.gz SLGBYZYLVBZZJC-ZOWXZIJZSA-N -1 0 311.382 1.447 20 30 DDEDRM N#CCCCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000158995507 605405800 /nfs/dbraw/zinc/40/58/00/605405800.db2.gz ISHWSNYUKCDLOV-UHFFFAOYSA-N -1 0 308.359 1.385 20 30 DDEDRM N#CC1(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CC1 ZINC000833964064 605420084 /nfs/dbraw/zinc/42/00/84/605420084.db2.gz BXOZAMPSFUJPEA-CYBMUJFWSA-N -1 0 300.314 1.938 20 30 DDEDRM N#CCc1ccc(C(=O)N2CCC(CNC(=O)[O-])CC2)cc1 ZINC000833967814 605445092 /nfs/dbraw/zinc/44/50/92/605445092.db2.gz NSFLRMJKCUMKMH-UHFFFAOYSA-N -1 0 301.346 1.872 20 30 DDEDRM C#CCOCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000833366495 605445854 /nfs/dbraw/zinc/44/58/54/605445854.db2.gz 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ZINC000833618220 605625385 /nfs/dbraw/zinc/62/53/85/605625385.db2.gz MAVXZXGPUMAKKY-UVWXRNBGSA-N -1 0 324.377 1.427 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(F)c(F)cc1F ZINC000833967153 605650430 /nfs/dbraw/zinc/65/04/30/605650430.db2.gz PYFRUSDFKLWACK-SSDOTTSWSA-N -1 0 313.235 1.432 20 30 DDEDRM N#C[C@H]1CN(C(=O)[O-])C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000833968553 605674503 /nfs/dbraw/zinc/67/45/03/605674503.db2.gz WIBFOCKDDPKKAW-WCQYABFASA-N -1 0 304.306 1.229 20 30 DDEDRM N#CCc1ccnc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1 ZINC000831109825 605681517 /nfs/dbraw/zinc/68/15/17/605681517.db2.gz WGFSJRVGWAPDGV-LLVKDONJSA-N -1 0 320.374 1.572 20 30 DDEDRM N#CC1(COC(=O)[C@@H](CC(F)F)NC(=O)[O-])CCOCC1 ZINC000833964944 605781978 /nfs/dbraw/zinc/78/19/78/605781978.db2.gz VAYSILZSGAGXEX-MRVPVSSYSA-N -1 0 306.265 1.141 20 30 DDEDRM CCCN(C(=O)c1ccc(C#N)nc1)C1CCN(C(=O)[O-])CC1 ZINC000826884329 605818759 /nfs/dbraw/zinc/81/87/59/605818759.db2.gz MWSYJDRQITXRGG-UHFFFAOYSA-N -1 0 316.361 1.948 20 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CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000065764052 696347124 /nfs/dbraw/zinc/34/71/24/696347124.db2.gz KQSFVQTUQFMIFQ-ZETCQYMHSA-N -1 0 318.301 1.234 20 30 DDEDRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Oc1ccc(C#N)cc1 ZINC000067019196 696358161 /nfs/dbraw/zinc/35/81/61/696358161.db2.gz CAOLEYYCNGWBOF-UHFFFAOYSA-N -1 0 322.324 1.659 20 30 DDEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccc2nncn2c1 ZINC000073288876 696402782 /nfs/dbraw/zinc/40/27/82/696402782.db2.gz CQTKHMRJSWWYDJ-UHFFFAOYSA-N -1 0 322.390 1.944 20 30 DDEDRM Cn1cccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000077942154 696446726 /nfs/dbraw/zinc/44/67/26/696446726.db2.gz QPWQGEOSOMLCKN-UHFFFAOYSA-N -1 0 309.303 1.627 20 30 DDEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000078323565 696449915 /nfs/dbraw/zinc/44/99/15/696449915.db2.gz XQVUBGAUCBZJMN-JTQLQIEISA-N -1 0 323.378 1.744 20 30 DDEDRM Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000089490418 696577302 /nfs/dbraw/zinc/57/73/02/696577302.db2.gz 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C#CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2)cc1 ZINC000159415048 697309641 /nfs/dbraw/zinc/30/96/41/697309641.db2.gz XAWSQEVBXKLLGW-UHFFFAOYSA-N -1 0 321.379 1.879 20 30 DDEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccnn2C)cc1 ZINC000159824061 697312433 /nfs/dbraw/zinc/31/24/33/697312433.db2.gz YOWCAUFTYJJQOY-ZDUSSCGKSA-N -1 0 312.329 1.068 20 30 DDEDRM C[C@H](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC000160702505 697319397 /nfs/dbraw/zinc/31/93/97/697319397.db2.gz ZJHKQQPIETUDAY-MRVPVSSYSA-N -1 0 316.766 1.601 20 30 DDEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2cnccn2)n1 ZINC000172667931 697370579 /nfs/dbraw/zinc/37/05/79/697370579.db2.gz XREXFGGJSAPSFJ-SECBINFHSA-N -1 0 315.358 1.447 20 30 DDEDRM CNC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(OC)cc2)s1 ZINC000173990730 697382870 /nfs/dbraw/zinc/38/28/70/697382870.db2.gz XIKMBLFFXYSBEQ-NSHDSACASA-N -1 0 315.354 1.887 20 30 DDEDRM CNC(=O)C(C#N)=C([O-])c1cc(Br)cn1C(C)C ZINC000173990684 697382890 /nfs/dbraw/zinc/38/28/90/697382890.db2.gz TXVJYZZTOQUVCV-VIFPVBQESA-N -1 0 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C=C[C@@H](C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000846551058 703295681 /nfs/dbraw/zinc/29/56/81/703295681.db2.gz SLQNDGVKACOHDS-BDAKNGLRSA-N -1 0 304.393 1.037 20 30 DDEDRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCCCC#N ZINC000847351079 703405726 /nfs/dbraw/zinc/40/57/26/703405726.db2.gz ZZLJSFMWARCTLJ-NXEZZACHSA-N -1 0 320.315 1.531 20 30 DDEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC#N)cc1N(C)C ZINC000847661751 703449620 /nfs/dbraw/zinc/44/96/20/703449620.db2.gz FHBFDQDGGLCDNG-UHFFFAOYSA-N -1 0 323.418 1.950 20 30 DDEDRM N#CCCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000847687843 703453392 /nfs/dbraw/zinc/45/33/92/703453392.db2.gz JMRGMLUYUKYOFF-UHFFFAOYSA-N -1 0 302.302 1.854 20 30 DDEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCc1n[n-]c(=S)o1 ZINC000847752325 703461854 /nfs/dbraw/zinc/46/18/54/703461854.db2.gz ORFNCZJTOHGPEG-JTQLQIEISA-N -1 0 316.386 1.767 20 30 DDEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000849219481 703625633 /nfs/dbraw/zinc/62/56/33/703625633.db2.gz 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DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)C2(c3ccccc3OC)CC2)CC1 ZINC000870832486 704138932 /nfs/dbraw/zinc/13/89/32/704138932.db2.gz JDOBPUBUBBLWPP-UHFFFAOYSA-N -1 0 321.398 1.891 20 30 DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2csc(COC)n2)CC1 ZINC000870832949 704139277 /nfs/dbraw/zinc/13/92/77/704139277.db2.gz IPZIJFKIPDWJES-UHFFFAOYSA-N -1 0 302.377 1.068 20 30 DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2nc(C)n3ccccc23)CC1 ZINC000870834579 704139681 /nfs/dbraw/zinc/13/96/81/704139681.db2.gz IWIMDQNCFDHKDM-UHFFFAOYSA-N -1 0 305.359 1.421 20 30 DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)nc(NC)c2)CC1 ZINC000870834616 704139704 /nfs/dbraw/zinc/13/97/04/704139704.db2.gz KBWCIRRUVSUAJN-UHFFFAOYSA-N -1 0 315.782 1.555 20 30 DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC000870835276 704139724 /nfs/dbraw/zinc/13/97/24/704139724.db2.gz JPXIHPFXAXXFHE-CQSZACIVSA-N -1 0 322.430 1.844 20 30 DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000870838059 704140317 /nfs/dbraw/zinc/14/03/17/704140317.db2.gz JUTLXOUJCXFJIR-UHFFFAOYSA-N -1 0 323.296 1.217 20 30 DDEDRM N#Cc1ccccc1CS(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000853067935 704191427 /nfs/dbraw/zinc/19/14/27/704191427.db2.gz JTBDQCMHEZUWJK-ZDUSSCGKSA-N -1 0 306.343 1.151 20 30 DDEDRM C#CCOc1ccc(F)cc1NC(=O)CCCc1nnn[n-]1 ZINC000820270526 704249882 /nfs/dbraw/zinc/24/98/82/704249882.db2.gz GJQNMBKAQDMRBT-UHFFFAOYSA-N -1 0 303.297 1.312 20 30 DDEDRM N#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000821582806 704424541 /nfs/dbraw/zinc/42/45/41/704424541.db2.gz XZJVDAJNIRSFQU-NEPJUHHUSA-N -1 0 312.778 1.803 20 30 DDEDRM C#CCO[N-]C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000855606997 704493322 /nfs/dbraw/zinc/49/33/22/704493322.db2.gz UZIKUQQQRHSTQC-UHFFFAOYSA-N -1 0 314.263 1.635 20 30 DDEDRM C=CCCO[N-]C(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000856030403 704510301 /nfs/dbraw/zinc/51/03/01/704510301.db2.gz YDSINKSJZIRZQU-CYBMUJFWSA-N -1 0 306.387 1.826 20 30 DDEDRM C=CCCO[N-]C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000856032518 704510400 /nfs/dbraw/zinc/51/04/00/704510400.db2.gz QDZBWCRTGAVMIC-OAHLLOKOSA-N -1 0 308.353 1.823 20 30 DDEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccnn1CCc1ccccc1 ZINC000857010073 704546932 /nfs/dbraw/zinc/54/69/32/704546932.db2.gz CUXYPRPPAIQTLJ-OAHLLOKOSA-N -1 0 324.384 1.973 20 30 DDEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cn2nccc2C)n1 ZINC000860064136 705085368 /nfs/dbraw/zinc/08/53/68/705085368.db2.gz HOXZGAYOKLPZFZ-NSHDSACASA-N -1 0 318.358 1.376 20 30 DDEDRM CC[C@@H](C#N)OC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000860309148 705153990 /nfs/dbraw/zinc/15/39/90/705153990.db2.gz QAXMWIRGEYTLOO-ZETCQYMHSA-N -1 0 304.224 1.917 20 30 DDEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cn2c(n1)COCC2 ZINC000860470186 705198243 /nfs/dbraw/zinc/19/82/43/705198243.db2.gz XFQQVCGFDZASBZ-GFCCVEGCSA-N -1 0 316.361 1.185 20 30 DDEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCCF)c(F)c1 ZINC000861015352 705350748 /nfs/dbraw/zinc/35/07/48/705350748.db2.gz JZUMEJDITQWAQM-UHFFFAOYSA-N -1 0 302.302 1.393 20 30 DDEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2(F)F)c1 ZINC000835117463 707175058 /nfs/dbraw/zinc/17/50/58/707175058.db2.gz DXIYBFAIKNZUKD-JTQLQIEISA-N -1 0 300.286 1.159 20 30 DDEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1csnc1Cl ZINC000861400696 705457847 /nfs/dbraw/zinc/45/78/47/705457847.db2.gz XZEMAELWTHLKJT-UHFFFAOYSA-N -1 0 306.796 1.651 20 30 DDEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000861898146 705598198 /nfs/dbraw/zinc/59/81/98/705598198.db2.gz DAMYTKZWBGTKNP-SNVBAGLBSA-N -1 0 308.334 1.402 20 30 DDEDRM N#CCCS(=O)(=O)[N-]C(=O)c1ccccc1OC1CCC1 ZINC000835411812 707246173 /nfs/dbraw/zinc/24/61/73/707246173.db2.gz VGMAUTHCNKLNKU-UHFFFAOYSA-N -1 0 308.359 1.591 20 30 DDEDRM N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000835412164 707246233 /nfs/dbraw/zinc/24/62/33/707246233.db2.gz RYBPUMSETBAUOW-IUCAKERBSA-N -1 0 312.313 1.715 20 30 DDEDRM Cc1ccc(SCCC(=O)[N-]S(=O)(=O)CCC#N)cc1 ZINC000835414172 707246881 /nfs/dbraw/zinc/24/68/81/707246881.db2.gz XNOIRKABQSDVBO-UHFFFAOYSA-N -1 0 312.416 1.837 20 30 DDEDRM C#C[C@H](C)NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000871951172 707252836 /nfs/dbraw/zinc/25/28/36/707252836.db2.gz KRPFNJHRVODLGJ-ZETCQYMHSA-N -1 0 317.750 1.347 20 30 DDEDRM C#C[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000871951315 707252867 /nfs/dbraw/zinc/25/28/67/707252867.db2.gz PRDIDAKDINZNDZ-MRVPVSSYSA-N -1 0 315.778 1.989 20 30 DDEDRM C=CCOC[C@H](NC(=O)c1ccc(COC)c(F)c1)C(=O)[O-] ZINC000864146809 706080450 /nfs/dbraw/zinc/08/04/50/706080450.db2.gz YPKAEEZPVJKEMA-ZDUSSCGKSA-N -1 0 311.309 1.358 20 30 DDEDRM C=CCn1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)nn1 ZINC000864226706 706105438 /nfs/dbraw/zinc/10/54/38/706105438.db2.gz OGDOYADDKJZMQF-LLVKDONJSA-N -1 0 312.329 1.683 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)NCCc1cccc(C)n1)C(=O)[O-] ZINC000908968621 712905219 /nfs/dbraw/zinc/90/52/19/712905219.db2.gz LOJZXUCYSAHKHW-LBPRGKRZSA-N -1 0 311.769 1.828 20 30 DDEDRM C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H]1C(=O)[O-] ZINC000864435995 706168650 /nfs/dbraw/zinc/16/86/50/706168650.db2.gz PUROANRXUBDDDU-PRHODGIISA-N -1 0 312.322 1.181 20 30 DDEDRM C=C(C)C[C@@H](NS(=O)(=O)c1c(F)cc(C)cc1F)C(=O)[O-] ZINC000864451967 706173682 /nfs/dbraw/zinc/17/36/82/706173682.db2.gz MEMKUUYLVLYHEH-LLVKDONJSA-N -1 0 319.329 1.971 20 30 DDEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000864453392 706174138 /nfs/dbraw/zinc/17/41/38/706174138.db2.gz ZJQVNLBLGWOFGU-NSHDSACASA-N -1 0 319.329 1.971 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)NCCCOCC(C)C)C(=O)[O-] ZINC000864523077 706186996 /nfs/dbraw/zinc/18/69/96/706186996.db2.gz NZAMERUJLGOQLC-NSHDSACASA-N -1 0 306.790 1.944 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)NC[C@H]1CCC12CCOCC2)C(=O)[O-] ZINC000864546722 706192000 /nfs/dbraw/zinc/19/20/00/706192000.db2.gz FGYGQVQBAPAWMX-CHWSQXEVSA-N -1 0 310.394 1.912 20 30 DDEDRM CSCCCNC(=S)N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC000865250408 706388077 /nfs/dbraw/zinc/38/80/77/706388077.db2.gz BYSHISNYLSEQRS-UHFFFAOYSA-N -1 0 322.459 1.645 20 30 DDEDRM 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ZINC000910051322 709754553 /nfs/dbraw/zinc/75/45/53/709754553.db2.gz SMMVODCVHOHJTF-ZDUSSCGKSA-N -1 0 309.325 1.714 20 30 DDEDRM C=CCOc1ccccc1C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000910314872 709885150 /nfs/dbraw/zinc/88/51/50/709885150.db2.gz IAASAQYNVRSTMP-INIZCTEOSA-N -1 0 305.330 1.567 20 30 DDEDRM C#C[C@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000890649607 709939055 /nfs/dbraw/zinc/93/90/55/709939055.db2.gz GNUMUVRHQTXLJI-JTQLQIEISA-N -1 0 312.329 1.372 20 30 DDEDRM CC(C)(C)C1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])nc1 ZINC000901137850 709942492 /nfs/dbraw/zinc/94/24/92/709942492.db2.gz CGJZUFUSHNHUSL-UHFFFAOYSA-N -1 0 305.363 1.840 20 30 DDEDRM CCNN=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000901278802 709995646 /nfs/dbraw/zinc/99/56/46/709995646.db2.gz HVYIZLOQRWDVMJ-UHFFFAOYSA-N -1 0 301.140 1.856 20 30 DDEDRM C=C[C@@](C)(O)C(=O)N1CCC(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000910788140 710076424 /nfs/dbraw/zinc/07/64/24/710076424.db2.gz OIYIFBCOEYHDBI-OAHLLOKOSA-N -1 0 324.402 1.559 20 30 DDEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2COC[C@@H]2C2CC2)cc1C#N ZINC000891064365 710077525 /nfs/dbraw/zinc/07/75/25/710077525.db2.gz ATAORJSOSJBFJT-VXGBXAGGSA-N -1 0 319.386 1.536 20 30 DDEDRM Cc1c([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cnn1C ZINC000901639692 710105039 /nfs/dbraw/zinc/10/50/39/710105039.db2.gz MJGSHGRRBVUCQC-UHFFFAOYSA-N -1 0 304.375 1.986 20 30 DDEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892863890 710515038 /nfs/dbraw/zinc/51/50/38/710515038.db2.gz QJOVXWYKCHJXPL-NWDGAFQWSA-N -1 0 301.346 1.661 20 30 DDEDRM C#CCSCC(=O)[N-]S(=O)(=O)Cc1c(C)cccc1C ZINC000893084295 710552284 /nfs/dbraw/zinc/55/22/84/710552284.db2.gz HFDDQYOXVMQVJR-UHFFFAOYSA-N -1 0 311.428 1.616 20 30 DDEDRM C=CC1(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(CC)nc2C)CC1 ZINC000893304643 710591435 /nfs/dbraw/zinc/59/14/35/710591435.db2.gz FPUJYAKCEMVBCZ-UHFFFAOYSA-N -1 0 323.418 1.363 20 30 DDEDRM CC(C)(C(=O)[O-])C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000902296255 710702494 /nfs/dbraw/zinc/70/24/94/710702494.db2.gz HHEHVQLKJKCPOM-UHFFFAOYSA-N -1 0 315.373 1.754 20 30 DDEDRM C=CCCOCC(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC000893683771 710776219 /nfs/dbraw/zinc/77/62/19/710776219.db2.gz RSJSJBKDOLOSOB-UHFFFAOYSA-N -1 0 309.387 1.193 20 30 DDEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000911567225 710857654 /nfs/dbraw/zinc/85/76/54/710857654.db2.gz CFECOCIWABAGGS-MJBXVCDLSA-N -1 0 304.346 1.175 20 30 DDEDRM C#CCN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893968966 710904841 /nfs/dbraw/zinc/90/48/41/710904841.db2.gz PAOCOIGRVOMQDF-LBPRGKRZSA-N -1 0 315.341 1.293 20 30 DDEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C1CCOCC1 ZINC000911788709 710988996 /nfs/dbraw/zinc/98/89/96/710988996.db2.gz DNLWECKJFLHQQB-CQSZACIVSA-N -1 0 305.305 1.682 20 30 DDEDRM N#C[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000903884378 711315743 /nfs/dbraw/zinc/31/57/43/711315743.db2.gz YBNJDKOFRNIVOP-SECBINFHSA-N -1 0 312.322 1.448 20 30 DDEDRM C[C@H]1/C(=C/c2ccc(OCCC(=O)[O-])cc2)C(=O)c2ncnn21 ZINC000905079873 711929489 /nfs/dbraw/zinc/92/94/89/711929489.db2.gz GMPNHFXPVCEFIR-AAIQCTMTSA-N -1 0 313.313 1.973 20 30 DDEDRM CC#CC[C@@H](NS(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-] ZINC000905987589 712211376 /nfs/dbraw/zinc/21/13/76/712211376.db2.gz IFWYGEZYRXHWKK-SECBINFHSA-N -1 0 316.766 1.188 20 30 DDEDRM C#CCN(CC(=O)[O-])S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000905997842 712215217 /nfs/dbraw/zinc/21/52/17/712215217.db2.gz OVDQRDHTKYMRAH-OLZOCXBDSA-N -1 0 311.334 1.031 20 30 DDEDRM C=C(C)C[C@@H](NS(=O)(=O)CCCc1ccccc1)C(=O)[O-] ZINC000906001925 712217467 /nfs/dbraw/zinc/21/74/67/712217467.db2.gz SNCAKEKVYAULRE-CQSZACIVSA-N -1 0 311.403 1.958 20 30 DDEDRM CCC[C@H](C#N)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000906060452 712233948 /nfs/dbraw/zinc/23/39/48/712233948.db2.gz JXAVQYUBKCWLQK-NSPYISDASA-N -1 0 315.420 1.670 20 30 DDEDRM C#CCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000906886591 712428163 /nfs/dbraw/zinc/42/81/63/712428163.db2.gz DCTAZMQWPXZGGT-UHFFFAOYSA-N -1 0 321.398 1.955 20 30 DDEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC000906960809 712449989 /nfs/dbraw/zinc/44/99/89/712449989.db2.gz ANEDHJQGKYEWHJ-UHFFFAOYSA-N -1 0 312.322 1.367 20 30 DDEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(C#N)C1 ZINC000906996531 712459357 /nfs/dbraw/zinc/45/93/57/712459357.db2.gz FPGLURZVNJRXCM-UHFFFAOYSA-N -1 0 308.359 1.652 20 30 DDEDRM N#CCC1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000907039406 712472235 /nfs/dbraw/zinc/47/22/35/712472235.db2.gz QDTHNWOHBOFHJK-UHFFFAOYSA-N -1 0 314.750 1.572 20 30 DDEDRM C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000907127894 712494437 /nfs/dbraw/zinc/49/44/37/712494437.db2.gz OPUXLQIPZIVLMC-CQSZACIVSA-N -1 0 321.398 1.880 20 30 DDEDRM N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CC2(Cl)Cl)nc1 ZINC000907301049 712537379 /nfs/dbraw/zinc/53/73/79/712537379.db2.gz WVVWFGYWHIAXIB-SECBINFHSA-N -1 0 320.201 1.815 20 30 DDEDRM C=CCOCCCNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907705193 712616657 /nfs/dbraw/zinc/61/66/57/712616657.db2.gz UYZLAIBVLHUBDM-RHSMWYFYSA-N -1 0 303.358 1.954 20 30 DDEDRM CC[C@@H]1CN(C(=O)C2(C#N)CCSCC2)C[C@@]1(F)C(=O)[O-] ZINC000907761104 712623072 /nfs/dbraw/zinc/62/30/72/712623072.db2.gz ZNZQQJIDPZWNNO-YGRLFVJLSA-N -1 0 314.382 1.685 20 30 DDEDRM C=CCCC[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C(=O)[O-] ZINC000907780408 712625365 /nfs/dbraw/zinc/62/53/65/712625365.db2.gz DWXMUUJJBKUUAS-MRVPVSSYSA-N -1 0 301.293 1.897 20 30 DDEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2c(c1)C[C@@H](C)O2)C(=O)[O-] ZINC000908633817 712826635 /nfs/dbraw/zinc/82/66/35/712826635.db2.gz CYXVDGIEMVOXOT-ZWNOBZJWSA-N -1 0 320.345 1.787 20 30 DDEDRM C=C(Br)CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000908762829 712849951 /nfs/dbraw/zinc/84/99/51/712849951.db2.gz LDWRXZWIDUAPIO-UHFFFAOYSA-N -1 0 316.155 1.386 20 30 DDEDRM C=CCOC[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1)C(=O)[O-] ZINC000908852457 712869370 /nfs/dbraw/zinc/86/93/70/712869370.db2.gz CLTVAERMMWZODA-GXTWGEPZSA-N -1 0 322.361 1.409 20 30 DDEDRM C#CCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000908853822 712869715 /nfs/dbraw/zinc/86/97/15/712869715.db2.gz GRSRHFRILZZUCL-BXUZGUMPSA-N -1 0 305.330 1.366 20 30 DDEDRM C=CCC[C@H](NC(=O)NCc1ccc2c(c1)COC2)C(=O)[O-] ZINC000908925070 712888561 /nfs/dbraw/zinc/88/85/61/712888561.db2.gz ZCSPHYWNXHNCMI-AWEZNQCLSA-N -1 0 304.346 1.935 20 30 DDEDRM NC(=O)c1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1 ZINC000915944074 713436063 /nfs/dbraw/zinc/43/60/63/713436063.db2.gz BMRGGOQWORWZGP-UHFFFAOYSA-N -1 0 315.280 1.567 20 30 DDEDRM O=C([O-])COc1ccccc1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000915968874 713436831 /nfs/dbraw/zinc/43/68/31/713436831.db2.gz HYFGCCLYZMLZON-UHFFFAOYSA-N -1 0 316.273 1.899 20 30 DDEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC)c([N+](=O)[O-])c1 ZINC000916916956 713473573 /nfs/dbraw/zinc/47/35/73/713473573.db2.gz FJDOUMBDSWEQFZ-SNVBAGLBSA-N -1 0 302.290 1.261 20 30 DDEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc1C ZINC000916946723 713475599 /nfs/dbraw/zinc/47/55/99/713475599.db2.gz HCOLQOFMZGQYEY-LBPRGKRZSA-N -1 0 317.345 1.414 20 30 DDEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ncnc3[nH]cnc31)O2 ZINC000917556086 713503253 /nfs/dbraw/zinc/50/32/53/713503253.db2.gz SVBGYNUCVXELNX-UHFFFAOYSA-N -1 0 310.273 1.368 20 30 DDEDRM Cc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)sc1C(C)(C)C ZINC000917859075 713516806 /nfs/dbraw/zinc/51/68/06/713516806.db2.gz NFGQOQJOXKRRQP-UHFFFAOYSA-N -1 0 304.375 1.519 20 30 DDEDRM C=CCOC[C@H](NC(=O)N[C@H]1CCc2cc(C)ccc21)C(=O)[O-] ZINC000929029758 713532810 /nfs/dbraw/zinc/53/28/10/713532810.db2.gz NUKBYEMYCSKVMQ-GJZGRUSLSA-N -1 0 318.373 1.937 20 30 DDEDRM C=CCC[C@@H](NC(=O)N[C@H]1COCc2ccccc21)C(=O)[O-] ZINC000929031667 713533325 /nfs/dbraw/zinc/53/33/25/713533325.db2.gz JLRPSQGWZMNWCD-KGLIPLIRSA-N -1 0 304.346 1.977 20 30 DDEDRM C#CC[C@@H](NC(=O)N(C)[C@H](COCC)C(=O)[O-])c1ccccc1 ZINC000929033250 713533744 /nfs/dbraw/zinc/53/37/44/713533744.db2.gz LCJMTUJYYHQPFK-HUUCEWRRSA-N -1 0 318.373 1.882 20 30 DDEDRM CC1CC(C#N)(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000923055404 714223865 /nfs/dbraw/zinc/22/38/65/714223865.db2.gz CPVFQBWXSSZXMR-TVIZTDCDSA-N -1 0 300.358 1.986 20 30 DDEDRM N#C[C@]1(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCOC1 ZINC000923078089 714230668 /nfs/dbraw/zinc/23/06/68/714230668.db2.gz DMZDVHXTQTVRER-VXGBXAGGSA-N -1 0 320.267 1.172 20 30 DDEDRM C=CC[C@H](NS(=O)(=O)c1cscc1C(F)F)C(=O)[O-] ZINC000926454023 715068817 /nfs/dbraw/zinc/06/88/17/715068817.db2.gz SOYFAWIPWWBPDZ-ZETCQYMHSA-N -1 0 311.331 1.993 20 30 DDEDRM C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000926565221 715087718 /nfs/dbraw/zinc/08/77/18/715087718.db2.gz OZRMZANZZPJYHF-QMMMGPOBSA-N -1 0 312.322 1.589 20 30 DDEDRM C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540003 719654899 /nfs/dbraw/zinc/65/48/99/719654899.db2.gz SAWRYAWKRHWVDP-PWSUYJOCSA-N -1 0 314.345 1.002 20 30 DDEDRM C[C@]1(C#N)CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000694601378 736290212 /nfs/dbraw/zinc/29/02/12/736290212.db2.gz HKWCRMSWKITKOZ-LLVKDONJSA-N -1 0 300.361 1.371 20 30 DDEDRM 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C=CCSCCNC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738505564 602827344 /nfs/dbraw/zinc/82/73/44/602827344.db2.gz MVXWMOQCTLEAEK-WDEREUQCSA-N -1 0 301.412 1.593 20 30 DDEDRM CCC[C@@H](NC(=O)[O-])C(=O)NCCOc1ccc(C#N)cc1 ZINC000739318616 602969833 /nfs/dbraw/zinc/96/98/33/602969833.db2.gz WJCWBRXVSUIBRI-CYBMUJFWSA-N -1 0 305.334 1.490 20 30 DDEDRM N#Cc1ccccc1OCC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000831156562 603131832 /nfs/dbraw/zinc/13/18/32/603131832.db2.gz CCQVXAUBYBHIAQ-LBPRGKRZSA-N -1 0 303.318 1.196 20 30 DDEDRM CC(C)CCNC(=S)NN=C1CCC[C@H]1CNC(=O)[O-] ZINC000738818114 603318970 /nfs/dbraw/zinc/31/89/70/603318970.db2.gz JVCVZYSCCLGHNN-JTQLQIEISA-N -1 0 300.428 1.920 20 30 DDEDRM CC(C)[C@@H](CCN(C)C(=O)C1(C#N)CCOCC1)NC(=O)[O-] ZINC000824079721 603561672 /nfs/dbraw/zinc/56/16/72/603561672.db2.gz TXQFFWVWNPNZQJ-GFCCVEGCSA-N -1 0 311.382 1.447 20 30 DDEDRM COc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1OC ZINC000829537174 603590557 /nfs/dbraw/zinc/59/05/57/603590557.db2.gz 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COc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(Cl)c1 ZINC000829277326 604080032 /nfs/dbraw/zinc/08/00/32/604080032.db2.gz PXAWLGDKJHTUMA-VIFPVBQESA-N -1 0 323.736 1.677 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(C(F)F)c1 ZINC000831087359 604080756 /nfs/dbraw/zinc/08/07/56/604080756.db2.gz KOVJBHQNQIHKDH-LLVKDONJSA-N -1 0 309.272 1.952 20 30 DDEDRM CC(N=Nc1ncnc2c1cnn2C)[C@@H]1CCCCN1C(=O)[O-] ZINC000823533394 604087844 /nfs/dbraw/zinc/08/78/44/604087844.db2.gz RWWWIFYOJOPTMK-NSHDSACASA-N -1 0 317.353 1.684 20 30 DDEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccnc2ccccc21 ZINC000831092360 604129694 /nfs/dbraw/zinc/12/96/94/604129694.db2.gz UVENDCMBPAMBEE-LLVKDONJSA-N -1 0 310.313 1.563 20 30 DDEDRM C#CCOc1ccccc1CNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000823466892 604138192 /nfs/dbraw/zinc/13/81/92/604138192.db2.gz LFYDSYHZOUIOMK-UHFFFAOYSA-N -1 0 319.361 1.544 20 30 DDEDRM N#CCCN(Cc1ccccn1)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000831097785 604151192 /nfs/dbraw/zinc/15/11/92/604151192.db2.gz 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ZINC000823466867 604360812 /nfs/dbraw/zinc/36/08/12/604360812.db2.gz KOCGRDBWMHXASH-OLZOCXBDSA-N -1 0 312.435 1.885 20 30 DDEDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCOc1ccccc1C#N ZINC000736381680 604381354 /nfs/dbraw/zinc/38/13/54/604381354.db2.gz WUFRAGBOWFAPQQ-ZDUSSCGKSA-N -1 0 306.318 1.772 20 30 DDEDRM CN(C[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1)C(=O)[O-] ZINC000828265981 604442390 /nfs/dbraw/zinc/44/23/90/604442390.db2.gz AJVRAXJSIFAFER-VIFPVBQESA-N -1 0 305.294 1.298 20 30 DDEDRM N#CCc1ccnc(NC(=O)C2(CNC(=O)[O-])CCCC2)c1 ZINC000831109902 604524118 /nfs/dbraw/zinc/52/41/18/604524118.db2.gz ZGJWDLKRQIMVAK-UHFFFAOYSA-N -1 0 302.334 1.914 20 30 DDEDRM COC1(C(=O)Nc2cc(CC#N)ccn2)CCN(C(=O)[O-])CC1 ZINC000828856592 604555107 /nfs/dbraw/zinc/55/51/07/604555107.db2.gz QTBGOCSNJLHSGI-UHFFFAOYSA-N -1 0 318.333 1.245 20 30 DDEDRM CC(=O)NC[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833395782 604604181 /nfs/dbraw/zinc/60/41/81/604604181.db2.gz BHKUVMBNPMRGSX-ZDUSSCGKSA-N -1 0 315.373 1.605 20 30 DDEDRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833406711 604609253 /nfs/dbraw/zinc/60/92/53/604609253.db2.gz DVWQYNGDEPPBSO-MNOVXSKESA-N -1 0 324.402 1.510 20 30 DDEDRM C=C(C)[C@H](CC(=O)N1CCCn2nc(C(=O)[O-])nc21)OCC ZINC000833367006 604616487 /nfs/dbraw/zinc/61/64/87/604616487.db2.gz GNHXGGZWQOLGIL-JTQLQIEISA-N -1 0 308.338 1.084 20 30 DDEDRM CCOc1cc(C(=O)OC[C@H](C)C#N)ccc1OCC(=O)[O-] ZINC000830037361 604736639 /nfs/dbraw/zinc/73/66/39/604736639.db2.gz ATPWRDWFGAGYFR-SNVBAGLBSA-N -1 0 307.302 1.865 20 30 DDEDRM CC(C)NC(=O)[C@H](C#N)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833502935 604765845 /nfs/dbraw/zinc/76/58/45/604765845.db2.gz YKLJLXKGFJQKEI-CYBMUJFWSA-N -1 0 302.330 1.551 20 30 DDEDRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cnc2ccc(C#N)cn12 ZINC000833505100 604767173 /nfs/dbraw/zinc/76/71/73/604767173.db2.gz HGRGAHXRSBIYCN-CQSZACIVSA-N -1 0 316.361 1.516 20 30 DDEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cn(CC(=O)[O-])nn1 ZINC000825808757 604786542 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C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000927959868 713088247 /nfs/dbraw/zinc/08/82/47/713088247.db2.gz PUHJDWQOHXHQAG-UPJWGTAASA-N -1 0 310.394 1.465 20 30 DDEDRM N#Cc1sccc1S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1 ZINC000899927357 709239720 /nfs/dbraw/zinc/23/97/20/709239720.db2.gz VREHBQKZJMZTJH-SNVBAGLBSA-N -1 0 324.383 1.108 20 30 DDEDRM COC(=O)CCCO[N-]C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000888816178 709384847 /nfs/dbraw/zinc/38/48/47/709384847.db2.gz AMQZMIAZCBOAAV-CQSZACIVSA-N -1 0 304.346 1.760 20 30 DDEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000909516913 709498559 /nfs/dbraw/zinc/49/85/59/709498559.db2.gz SWPCZQCXTAWSTJ-LSDHHAIUSA-N -1 0 302.374 1.955 20 30 DDEDRM C=CC(C)(C)CCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC000900286118 709521280 /nfs/dbraw/zinc/52/12/80/709521280.db2.gz VGYOJDBYOCAZQL-OAHLLOKOSA-N -1 0 308.382 1.628 20 30 DDEDRM C=CCC[C@H](NC(=O)NCc1cccc2c1OCCO2)C(=O)[O-] ZINC000900314249 709536301 /nfs/dbraw/zinc/53/63/01/709536301.db2.gz 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323.320 1.755 20 30 DDEDRM C=C(Cl)C[C@H](NC(=O)[C@H](Cc1ccccc1)OC)C(=O)[O-] ZINC000910272841 709856624 /nfs/dbraw/zinc/85/66/24/709856624.db2.gz WYZSXLDJPSLCEM-STQMWFEESA-N -1 0 311.765 1.956 20 30 DDEDRM C=C(C)C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000910291170 709870734 /nfs/dbraw/zinc/87/07/34/709870734.db2.gz FUWNORYLFCDABW-SECBINFHSA-N -1 0 319.283 1.746 20 30 DDEDRM C=C(C)C[C@H](NC(=O)Cn1nc(C)c2cccnc21)C(=O)[O-] ZINC000910294037 709871939 /nfs/dbraw/zinc/87/19/39/709871939.db2.gz NMLVMFFIPNUJQO-LBPRGKRZSA-N -1 0 302.334 1.275 20 30 DDEDRM Cn1nc(C(=O)[O-])cc1C=NNCC(F)(F)C(F)(F)F ZINC000901270297 709991284 /nfs/dbraw/zinc/99/12/84/709991284.db2.gz WJDPCOFFALPWSM-UHFFFAOYSA-N -1 0 300.187 1.239 20 30 DDEDRM C=CCCOCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000910768884 710069444 /nfs/dbraw/zinc/06/94/44/710069444.db2.gz IEFNDFGHYBTNFS-HNNXBMFYSA-N -1 0 307.346 1.872 20 30 DDEDRM C=CCCC[C@@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-] ZINC000910914449 710117229 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