smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H](CC(=O)Nc1nc2nc(CC)cc(=O)n2[n-]1)c1ccccc1 ZINC001438070715 1090628063 /nfs/dbraw/zinc/62/80/63/1090628063.db2.gz JNZXMHAMERBBCZ-LBPRGKRZSA-N -1 1 337.383 2.278 10 30 EEEEMM C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001493773858 1108649998 /nfs/dbraw/zinc/64/99/98/1108649998.db2.gz CYNMVWAKIBDDKC-KFWWJZLASA-N -1 1 343.427 2.205 10 30 EEEEMM C[C@H](C[N-]C(=O)C(C)(F)F)N(C)C(=O)CC(F)(F)C(F)(F)F ZINC001508708861 1115615963 /nfs/dbraw/zinc/61/59/63/1115615963.db2.gz OFNRPGZKASGHDR-ZCFIWIBFSA-N -1 1 340.239 2.192 10 30 EEEEMM C=C[C@](C)(CC)C(=O)N(C)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001510413691 1116041098 /nfs/dbraw/zinc/04/10/98/1116041098.db2.gz YOPORLRUGNOELY-AUUYWEPGSA-N -1 1 345.443 2.356 10 30 EEEEMM N#Cc1ccc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)o1 ZINC000341930589 465274638 /nfs/dbraw/zinc/27/46/38/465274638.db2.gz VZOFSWJDAGCLGZ-UHFFFAOYSA-N -1 1 327.731 2.697 10 30 EEEEMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000095393237 463074683 /nfs/dbraw/zinc/07/46/83/463074683.db2.gz WEHZRQWFGZAKIU-IWSPIJDZSA-N -1 1 345.325 2.449 10 30 EEEEMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000151593406 463558454 /nfs/dbraw/zinc/55/84/54/463558454.db2.gz GVFWPHBCBZCZKE-UHFFFAOYSA-N -1 1 325.353 2.144 10 30 EEEEMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnc2ccccn21 ZINC000442650982 467576582 /nfs/dbraw/zinc/57/65/82/467576582.db2.gz PVHGWGXTCSJQCP-INIZCTEOSA-N -1 1 335.367 2.434 10 30 EEEEMM N#Cc1ccc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)cc1F ZINC000573552259 469158351 /nfs/dbraw/zinc/15/83/51/469158351.db2.gz XFKHNPBMSKNNJO-UHFFFAOYSA-N -1 1 342.355 2.456 10 30 EEEEMM N#Cc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)cc1F ZINC000573552259 469158358 /nfs/dbraw/zinc/15/83/58/469158358.db2.gz XFKHNPBMSKNNJO-UHFFFAOYSA-N -1 1 342.355 2.456 10 30 EEEEMM COc1cc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000765572200 577503293 /nfs/dbraw/zinc/50/32/93/577503293.db2.gz KVEJGQAHBRMFTA-UHFFFAOYSA-N -1 1 347.371 2.297 10 30 EEEEMM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867514746 686369497 /nfs/dbraw/zinc/36/94/97/686369497.db2.gz DKKSIGHZIWFCRO-UHFFFAOYSA-N -1 1 325.217 2.259 10 30 EEEEMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2-c2ccnn2C)c(=O)o1 ZINC000814187345 1199348346 /nfs/dbraw/zinc/34/83/46/1199348346.db2.gz GZLFNYHXZJVVLT-DVBCCOPCSA-N -1 1 336.347 2.315 10 30 EEEEMM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cccc(C#N)c1[O-] ZINC000866316457 1201490913 /nfs/dbraw/zinc/49/09/13/1201490913.db2.gz PNAGNULDCPSYMB-ZDUSSCGKSA-N -1 1 336.395 2.373 10 30 EEEEMM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCOCC1 ZINC000851828728 1291868353 /nfs/dbraw/zinc/86/83/53/1291868353.db2.gz DBPRVCLWZAJVBO-GFCCVEGCSA-N -1 1 331.796 2.186 10 30 EEEEMM CCOC(=O)[C@]([N-]C(=O)[C@H](F)C(F)(F)F)(C1CC1)C(F)(F)F ZINC000857668105 1293886378 /nfs/dbraw/zinc/88/63/78/1293886378.db2.gz MOEYKWAZRMIPNY-IMTBSYHQSA-N -1 1 339.207 2.277 10 30 EEEEMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCOC2(CCC2)C1 ZINC001122490662 1310308973 /nfs/dbraw/zinc/30/89/73/1310308973.db2.gz PNNNXYINJIRYRJ-UHFFFAOYSA-N -1 1 349.826 2.052 10 30 EEEEMM C#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC001671139505 1320235344 /nfs/dbraw/zinc/23/53/44/1320235344.db2.gz FRMBJGUSGYBMRB-UHFFFAOYSA-N -1 1 328.777 2.473 10 30 EEEEMM C=C(C)Cn1c(-c2noc(=O)[n-]2)nnc1N(C)[C@H](C)c1cccs1 ZINC001263349526 1322468049 /nfs/dbraw/zinc/46/80/49/1322468049.db2.gz SXHGCDHWIWWFHA-SNVBAGLBSA-N -1 1 346.416 2.456 10 30 EEEEMM C=C[C@@](C)(CC)C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001279986775 1324049979 /nfs/dbraw/zinc/04/99/79/1324049979.db2.gz LOOUFSRUDDYXDQ-KJBLDROHSA-N -1 1 331.416 2.014 10 30 EEEEMM C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001283383504 1326040622 /nfs/dbraw/zinc/04/06/22/1326040622.db2.gz XTVKLCUQJFSEEJ-ZDUSSCGKSA-N -1 1 331.416 2.062 10 30 EEEEMM C=C[C@H](C)[C@@H](C)C(=O)N(CCC)CCNC(=O)c1ncccc1[O-] ZINC001284706461 1326676199 /nfs/dbraw/zinc/67/61/99/1326676199.db2.gz RXVKGMYBLFTUKX-UONOGXRCSA-N -1 1 333.432 2.214 10 30 EEEEMM C=CC(C)(C)CC(=O)N1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001285013523 1326828305 /nfs/dbraw/zinc/82/83/05/1326828305.db2.gz QGUDBOFDTQHMNO-CQSZACIVSA-N -1 1 345.443 2.453 10 30 EEEEMM C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001285184421 1326905236 /nfs/dbraw/zinc/90/52/36/1326905236.db2.gz QKIIUSQOQDJUMZ-CYBMUJFWSA-N -1 1 331.416 2.110 10 30 EEEEMM C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC001285393109 1326979982 /nfs/dbraw/zinc/97/99/82/1326979982.db2.gz YSWRCIBWNRUKGB-LSDHHAIUSA-N -1 1 343.427 2.207 10 30 EEEEMM C=CC(C)(C)CC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001288955291 1327988040 /nfs/dbraw/zinc/98/80/40/1327988040.db2.gz IALQCMIDWLFWEK-UONOGXRCSA-N -1 1 343.427 2.062 10 30 EEEEMM C=CCCC(=O)N1CC[C@@H](N(CCC)C(=O)c2ncccc2[O-])C1 ZINC001296775008 1329920449 /nfs/dbraw/zinc/92/04/49/1329920449.db2.gz MTRLMKVSZBGSLQ-CQSZACIVSA-N -1 1 331.416 2.207 10 30 EEEEMM C=C(C)C(C)(C)C(=O)N(CC)CCCNC(=O)c1ncccc1[O-] ZINC001352121923 1337894592 /nfs/dbraw/zinc/89/45/92/1337894592.db2.gz IUEQFZPQVKFNFB-UHFFFAOYSA-N -1 1 333.432 2.358 10 30 EEEEMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCc2ccsc2[C@@H]1C ZINC001355976945 1338777309 /nfs/dbraw/zinc/77/73/09/1338777309.db2.gz OZBDTADMMWOFOR-JTQLQIEISA-N -1 1 342.432 2.220 10 30 EEEEMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCc2ccsc2[C@@H]1C ZINC001355976945 1338777312 /nfs/dbraw/zinc/77/73/12/1338777312.db2.gz OZBDTADMMWOFOR-JTQLQIEISA-N -1 1 342.432 2.220 10 30 EEEEMM Cc1cc(C=O)c([O-])c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 ZINC001634259980 1352624559 /nfs/dbraw/zinc/62/45/59/1352624559.db2.gz NABXAMBAHYYBCJ-UHFFFAOYSA-N -1 1 335.363 2.321 10 30 EEEEMM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001662812795 1354852416 /nfs/dbraw/zinc/85/24/16/1354852416.db2.gz KEGWGMKTBKHJRB-ZETCQYMHSA-N -1 1 333.182 2.313 10 30 EEEEMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000716904195 796483264 /nfs/dbraw/zinc/48/32/64/796483264.db2.gz VBSWTXJTBBJMPT-QMMMGPOBSA-N -1 1 340.203 2.449 10 30 EEEEMM CSc1nc(C)c(CCC(=O)Nc2cccc(CC#N)n2)c(=O)[n-]1 ZINC001438818639 1091435390 /nfs/dbraw/zinc/43/53/90/1091435390.db2.gz JRNZPTQWGQWDCN-UHFFFAOYSA-N -1 1 343.412 2.245 10 30 EEEEMM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001479746378 1098881764 /nfs/dbraw/zinc/88/17/64/1098881764.db2.gz TYNZHYUVDLFBJI-ZDUSSCGKSA-N -1 1 349.479 2.219 10 30 EEEEMM C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001497063048 1101909676 /nfs/dbraw/zinc/90/96/76/1101909676.db2.gz YIYIQGPEHHEKAZ-KBPBESRZSA-N -1 1 331.416 2.110 10 30 EEEEMM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001534496020 1123345478 /nfs/dbraw/zinc/34/54/78/1123345478.db2.gz GSWSHZPYGJVPIK-KBPBESRZSA-N -1 1 345.443 2.404 10 30 EEEEMM C=C(C)CCC(=O)N1CC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001536248543 1123672565 /nfs/dbraw/zinc/67/25/65/1123672565.db2.gz CCKUELCMBAWDCD-LJQANCHMSA-N -1 1 343.427 2.208 10 30 EEEEMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)ccc1Cl ZINC000055586178 202694820 /nfs/dbraw/zinc/69/48/20/202694820.db2.gz WLFNDUKZUUUMOX-UHFFFAOYSA-N -1 1 349.799 2.040 10 30 EEEEMM CC(=NN=C1NC(=O)C(CC(=O)[O-])S1)c1ccc(OC(C)C)cc1 ZINC000252589371 464983919 /nfs/dbraw/zinc/98/39/19/464983919.db2.gz AJUFRNLOQAHIQY-ZDUSSCGKSA-N -1 1 349.412 2.260 10 30 EEEEMM CSc1[n-]c(=O)c(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1C#N ZINC000354339064 466486976 /nfs/dbraw/zinc/48/69/76/466486976.db2.gz KIDZEJZYSKELLO-UHFFFAOYSA-N -1 1 330.373 2.019 10 30 EEEEMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)o1 ZINC000377666713 467110930 /nfs/dbraw/zinc/11/09/30/467110930.db2.gz IWPVKJNFOOCEHF-CABCVRRESA-N -1 1 332.381 2.350 10 30 EEEEMM COc1cc(F)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1F ZINC000427270123 467147577 /nfs/dbraw/zinc/14/75/77/467147577.db2.gz QVNYHVBIDNVPJN-UHFFFAOYSA-N -1 1 339.323 2.349 10 30 EEEEMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427320924 467150537 /nfs/dbraw/zinc/15/05/37/467150537.db2.gz AULKXIKMGPSANH-UHFFFAOYSA-N -1 1 327.316 2.032 10 30 EEEEMM C=CCOCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594850530 468704225 /nfs/dbraw/zinc/70/42/25/468704225.db2.gz RAJXHVOPTOGRKV-UHFFFAOYSA-N -1 1 334.781 2.119 10 30 EEEEMM Cc1cnc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c([O-])c1 ZINC000598247267 468805833 /nfs/dbraw/zinc/80/58/33/468805833.db2.gz XBHWASUMVIJNMI-UHFFFAOYSA-N -1 1 337.379 2.403 10 30 EEEEMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000598551613 468910280 /nfs/dbraw/zinc/91/02/80/468910280.db2.gz RLFSZLFULZZAKC-KRWDZBQOSA-N -1 1 337.379 2.293 10 30 EEEEMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000610123943 469982427 /nfs/dbraw/zinc/98/24/27/469982427.db2.gz TZJHXNQZQIMMAA-UHFFFAOYSA-N -1 1 339.380 2.248 10 30 EEEEMM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000757873702 577865916 /nfs/dbraw/zinc/86/59/16/577865916.db2.gz BFGCRWHLEFKYFZ-CABCVRRESA-N -1 1 344.419 2.377 10 30 EEEEMM C#CC1(O)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895386320 684574206 /nfs/dbraw/zinc/57/42/06/684574206.db2.gz YASZENVGOUPRBN-UHFFFAOYSA-N -1 1 328.181 2.254 10 30 EEEEMM CC1(c2ccc(CNC(=O)c3cc([O-])cc(C#N)c3)cc2)OCCO1 ZINC000869969559 1200380924 /nfs/dbraw/zinc/38/09/24/1200380924.db2.gz AYLUEENSVSCAEZ-UHFFFAOYSA-N -1 1 338.363 2.413 10 30 EEEEMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1cccnc1 ZINC001412983343 1216356918 /nfs/dbraw/zinc/35/69/18/1216356918.db2.gz QRUVBCCMHGGWRC-AWEZNQCLSA-N -1 1 345.305 2.076 10 30 EEEEMM N#C[C@@]1(c2ccccn2)CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000855302323 1293163945 /nfs/dbraw/zinc/16/39/45/1293163945.db2.gz DIGFEDJZAULAMV-IBGZPJMESA-N -1 1 335.363 2.054 10 30 EEEEMM C=CCN(CC(=O)OCC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001151283884 1316495511 /nfs/dbraw/zinc/49/55/11/1316495511.db2.gz JJUVHRHGLHONOL-UHFFFAOYSA-N -1 1 332.331 2.271 10 30 EEEEMM C#CCN1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001293715979 1328794511 /nfs/dbraw/zinc/79/45/11/1328794511.db2.gz QLXUEDBHGZEFSY-UHFFFAOYSA-N -1 1 326.318 2.192 10 30 EEEEMM C=CCn1c(-c2nnn[n-]2)nnc1N(CCC)Cc1ccccc1F ZINC001262990408 1322417864 /nfs/dbraw/zinc/41/78/64/1322417864.db2.gz AJIUNQRRFMLBJE-UHFFFAOYSA-N -1 1 342.382 2.200 10 30 EEEEMM C=CCn1c(-c2nn[n-]n2)nnc1N(CCC)Cc1ccccc1F ZINC001262990408 1322417869 /nfs/dbraw/zinc/41/78/69/1322417869.db2.gz AJIUNQRRFMLBJE-UHFFFAOYSA-N -1 1 342.382 2.200 10 30 EEEEMM C#CCCCC(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001282314036 1325687257 /nfs/dbraw/zinc/68/72/57/1325687257.db2.gz KNAKVFQRJOHYLU-HNNXBMFYSA-N -1 1 343.427 2.092 10 30 EEEEMM C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001290609170 1328238740 /nfs/dbraw/zinc/23/87/40/1328238740.db2.gz UPYBHDHKEMPPNG-MJBXVCDLSA-N -1 1 331.416 2.109 10 30 EEEEMM C=CCO[C@H]1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001341490643 1337292974 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EEEEMM C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001479746529 1098880281 /nfs/dbraw/zinc/88/02/81/1098880281.db2.gz UFZGKNXDVGKKII-ZIAGYGMSSA-N -1 1 349.479 2.219 10 30 EEEEMM C=CCCCC(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001510129508 1115985456 /nfs/dbraw/zinc/98/54/56/1115985456.db2.gz RPOCGJGCKKSLFE-UHFFFAOYSA-N -1 1 331.416 2.207 10 30 EEEEMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001515030814 1118929514 /nfs/dbraw/zinc/92/95/14/1118929514.db2.gz DCOIHZWTELWOHX-LLVKDONJSA-N -1 1 342.382 2.371 10 30 EEEEMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001515030814 1118929517 /nfs/dbraw/zinc/92/95/17/1118929517.db2.gz DCOIHZWTELWOHX-LLVKDONJSA-N -1 1 342.382 2.371 10 30 EEEEMM C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001521950026 1119289387 /nfs/dbraw/zinc/28/93/87/1119289387.db2.gz SYLCIOLPXPRTHR-PJIJBLCYSA-N -1 1 345.443 2.214 10 30 EEEEMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1Cl ZINC000180177943 464259935 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CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000757873704 577865895 /nfs/dbraw/zinc/86/58/95/577865895.db2.gz BFGCRWHLEFKYFZ-HUUCEWRRSA-N -1 1 344.419 2.377 10 30 EEEEMM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000904192889 694324560 /nfs/dbraw/zinc/32/45/60/694324560.db2.gz ZKNICQASQDQTPJ-MNOVXSKESA-N -1 1 339.697 2.404 10 30 EEEEMM C=CCCCC(=O)N[C@@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@H]1C ZINC001481963632 1183053517 /nfs/dbraw/zinc/05/35/17/1183053517.db2.gz WUGYTXCMMGEAKW-CXAGYDPISA-N -1 1 335.452 2.021 10 30 EEEEMM C=CCC1(C=NN=C2[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC000872342281 1198151091 /nfs/dbraw/zinc/15/10/91/1198151091.db2.gz LHVHVJLWPFGAJV-UHFFFAOYSA-N -1 1 333.413 2.084 10 30 EEEEMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CCOCC1 ZINC000851826857 1291866552 /nfs/dbraw/zinc/86/65/52/1291866552.db2.gz ALBFBBNXIUPEMB-CYBMUJFWSA-N -1 1 331.796 2.186 10 30 EEEEMM C=C[C@H](C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC001123832720 1310722486 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2.092 10 30 EEEEMM CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785422231 769675702 /nfs/dbraw/zinc/67/57/02/769675702.db2.gz QVKHONPPHWOGKY-SNAWJCMRSA-N -1 1 331.372 2.075 10 30 EEEEMM Cc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1C#N ZINC000921638971 790236607 /nfs/dbraw/zinc/23/66/07/790236607.db2.gz FOUTVCJRTKLJQJ-NRFANRHFSA-N -1 1 343.474 2.097 10 30 EEEEMM CCN(CC[N-]C(=O)C(C)(F)F)C(=O)CC(F)(F)C(F)(F)F ZINC001496624749 1101227803 /nfs/dbraw/zinc/22/78/03/1101227803.db2.gz OMDFWTCEZYHEAW-UHFFFAOYSA-N -1 1 340.239 2.194 10 30 EEEEMM C=C[C@](C)(CC)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001510351252 1116024689 /nfs/dbraw/zinc/02/46/89/1116024689.db2.gz HKSBEDUGKMUVFB-IFXJQAMLSA-N -1 1 345.443 2.356 10 30 EEEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001520596849 1119179288 /nfs/dbraw/zinc/17/92/88/1119179288.db2.gz SRSZXIWQJDFKJL-RKDXNWHRSA-N -1 1 339.856 2.233 10 30 EEEEMM C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001530149078 1121800111 /nfs/dbraw/zinc/80/01/11/1121800111.db2.gz GROOOHYKARLGIZ-CQSZACIVSA-N -1 1 345.443 2.310 10 30 EEEEMM C[C@H]1[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC(=O)N1Cc1ccccc1 ZINC000343915347 161180224 /nfs/dbraw/zinc/18/02/24/161180224.db2.gz OAUOEZBKMXDOFO-SUMWQHHRSA-N -1 1 349.390 2.183 10 30 EEEEMM N#Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000436977484 270020379 /nfs/dbraw/zinc/02/03/79/270020379.db2.gz DNIDOMDTDOZBRP-UHFFFAOYSA-N -1 1 342.786 2.275 10 30 EEEEMM Cc1cc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)no1 ZINC000179459339 464139105 /nfs/dbraw/zinc/13/91/05/464139105.db2.gz HNPFIORPAURQFF-VIFPVBQESA-N -1 1 343.368 2.144 10 30 EEEEMM N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1[O-] ZINC000188554622 464310476 /nfs/dbraw/zinc/31/04/76/464310476.db2.gz FFXAOJJTUPYKRR-LSDHHAIUSA-N -1 1 332.425 2.391 10 30 EEEEMM N#CCCCCC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000594343738 468558006 /nfs/dbraw/zinc/55/80/06/468558006.db2.gz XOTMHGOCAPLGAU-CYBMUJFWSA-N -1 1 336.758 2.282 10 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EEEEMM Cc1[nH]nc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC001566181054 1125589139 /nfs/dbraw/zinc/58/91/39/1125589139.db2.gz LDYCQPCSPDDBRH-JTQLQIEISA-N -1 1 340.261 2.317 10 30 EEEEMM C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001510413694 1116040762 /nfs/dbraw/zinc/04/07/62/1116040762.db2.gz YOPORLRUGNOELY-LIRRHRJNSA-N -1 1 345.443 2.356 10 30 EEEEMM C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC001520412465 1119158652 /nfs/dbraw/zinc/15/86/52/1119158652.db2.gz UYJPRCHHOIZAID-CQSZACIVSA-N -1 1 331.416 2.254 10 30 EEEEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(C#N)CCCC1 ZINC000355060496 465220122 /nfs/dbraw/zinc/22/01/22/465220122.db2.gz FGXMBXWDLKYRJT-UHFFFAOYSA-N -1 1 337.383 2.048 10 30 EEEEMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000130504624 462759619 /nfs/dbraw/zinc/75/96/19/462759619.db2.gz XZUROBYDYRXLLE-CABZTGNLSA-N -1 1 329.403 2.407 10 30 EEEEMM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188404657 464272685 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N#Cc1ccc(NC(=O)COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000749283217 577974030 /nfs/dbraw/zinc/97/40/30/577974030.db2.gz SHXYIWOXJSEYBH-UHFFFAOYSA-N -1 1 332.262 2.338 10 30 EEEEMM C=C(C)C(C)(C)C(=O)NCC[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001267210285 1178504954 /nfs/dbraw/zinc/50/49/54/1178504954.db2.gz DFQAXFGPOGNMNW-UHFFFAOYSA-N -1 1 332.448 2.210 10 30 EEEEMM C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001746837499 1181993163 /nfs/dbraw/zinc/99/31/63/1181993163.db2.gz AIIQXQYNKNQTRK-ZDUSSCGKSA-N -1 1 333.432 2.260 10 30 EEEEMM C=CCCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001486687579 1194157873 /nfs/dbraw/zinc/15/78/73/1194157873.db2.gz NJEYDHCVCQVGKC-QWHCGFSZSA-N -1 1 331.416 2.157 10 30 EEEEMM C=C(C)[C@H](CO)Sc1nc(C)c(CCC(=O)OCC)c(=O)[n-]1 ZINC000871693716 1197839661 /nfs/dbraw/zinc/83/96/61/1197839661.db2.gz AVDAMZZFFCHRQX-LBPRGKRZSA-N -1 1 326.418 2.015 10 30 EEEEMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000814822119 1199749011 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331.416 2.110 10 30 EEEEMM C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001512130653 1118416621 /nfs/dbraw/zinc/41/66/21/1118416621.db2.gz USWRCNFVLDEFTA-HUUCEWRRSA-N -1 1 343.427 2.090 10 30 EEEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001524215568 1120007477 /nfs/dbraw/zinc/00/74/77/1120007477.db2.gz JPPCXUNCNCULOC-VXGBXAGGSA-N -1 1 346.460 2.139 10 30 EEEEMM C=CC(C)(C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001524420966 1120105802 /nfs/dbraw/zinc/10/58/02/1120105802.db2.gz NTRJXCHNJKVYOB-ZDUSSCGKSA-N -1 1 331.416 2.014 10 30 EEEEMM C=CCNC(=O)c1ccc(NC(=O)c2cnc(SC)[n-]c2=O)cc1 ZINC001544878599 1124171114 /nfs/dbraw/zinc/17/11/14/1124171114.db2.gz WATOBWZFIJKRNA-UHFFFAOYSA-N -1 1 344.396 2.072 10 30 EEEEMM N#Cc1cccc(CNC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000436251196 270020233 /nfs/dbraw/zinc/02/02/33/270020233.db2.gz DTZZAYDETNDUCR-UHFFFAOYSA-N -1 1 340.408 2.340 10 30 EEEEMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cccc(C)c2C#N)C2CC2)no1 ZINC000565458673 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EEEEMM C=CCn1c(-c2nn[n-]n2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001520590460 1119178530 /nfs/dbraw/zinc/17/85/30/1119178530.db2.gz QGBBTNYJGNWYNF-GXTWGEPZSA-N -1 1 336.403 2.232 10 30 EEEEMM C=C(C)C[C@@H](C)C(=O)N(CCC)CCNC(=O)c1ncccc1[O-] ZINC001529531366 1121473209 /nfs/dbraw/zinc/47/32/09/1121473209.db2.gz HFPPCEGEKSOOQS-CQSZACIVSA-N -1 1 333.432 2.358 10 30 EEEEMM C=C[C@H](CC)CC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001536798804 1123814842 /nfs/dbraw/zinc/81/48/42/1123814842.db2.gz AHTHQIXVTDXXOX-ACJLOTCBSA-N -1 1 331.416 2.110 10 30 EEEEMM COC[C@](C)(C#N)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001545508442 1124193689 /nfs/dbraw/zinc/19/36/89/1124193689.db2.gz BQTOKNPPWYTCDP-KRWDZBQOSA-N -1 1 328.324 2.123 10 30 EEEEMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188335461 291600468 /nfs/dbraw/zinc/60/04/68/291600468.db2.gz FBCSJFQYKBOLSS-UGFHNGPFSA-N -1 1 328.368 2.210 10 30 EEEEMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163198806 463570695 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333.432 2.260 10 30 EEEEMM C=CCC1(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)CCCC1 ZINC001522449907 1119386328 /nfs/dbraw/zinc/38/63/28/1119386328.db2.gz CWZXLXUXEHEVBO-UHFFFAOYSA-N -1 1 343.427 2.208 10 30 EEEEMM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001534496022 1123345223 /nfs/dbraw/zinc/34/52/23/1123345223.db2.gz GSWSHZPYGJVPIK-UONOGXRCSA-N -1 1 345.443 2.404 10 30 EEEEMM N#Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1[O-] ZINC000360556169 164337444 /nfs/dbraw/zinc/33/74/44/164337444.db2.gz GZZNBWALSVEHCP-KRWDZBQOSA-N -1 1 338.363 2.184 10 30 EEEEMM CN(C)c1ccc(/C=C2/[N-]S(=O)(=O)c3ccccc3C2=O)cc1 ZINC000004500002 289404370 /nfs/dbraw/zinc/40/43/70/289404370.db2.gz TZUPWQYBQUBAOK-RVDMUPIBSA-N -1 1 328.393 2.268 10 30 EEEEMM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(F)c1 ZINC000078869022 463157439 /nfs/dbraw/zinc/15/74/39/463157439.db2.gz CDUISQHRTXXPOK-UHFFFAOYSA-N -1 1 343.343 2.079 10 30 EEEEMM C#CCNC(=O)c1oc2ccccc2c1CSc1nccc(=O)[n-]1 ZINC000058341453 463581942 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COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]2CCC[C@@H]21 ZINC000600553185 468590045 /nfs/dbraw/zinc/59/00/45/468590045.db2.gz SSQQZQZACWWYKT-KFWWJZLASA-N -1 1 328.368 2.068 10 30 EEEEMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000594790967 468685769 /nfs/dbraw/zinc/68/57/69/468685769.db2.gz ZUJBQEGAUWVZSW-RYUDHWBXSA-N -1 1 327.402 2.479 10 30 EEEEMM CCN(C[C@@H](C)C#N)C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601086720 468738310 /nfs/dbraw/zinc/73/83/10/468738310.db2.gz BJCNZQRKDNQDBA-JTQLQIEISA-N -1 1 334.445 2.468 10 30 EEEEMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nnc2ccccn21 ZINC000589184483 469207614 /nfs/dbraw/zinc/20/76/14/469207614.db2.gz RRARETZCPSNXPV-MRXNPFEDSA-N -1 1 335.367 2.434 10 30 EEEEMM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(-c2cccnc2)[nH]n1 ZINC000743433839 577885270 /nfs/dbraw/zinc/88/52/70/577885270.db2.gz MHBIOBMYBLGKJL-UHFFFAOYSA-N -1 1 348.391 2.353 10 30 EEEEMM C=C[C@H](CC)CC(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001745538463 1182044886 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C=CCC(C)(C)C(=O)NCC1(CCNC(=O)c2ncccc2[O-])CC1 ZINC001281533424 1325236520 /nfs/dbraw/zinc/23/65/20/1325236520.db2.gz GTGZQBXQNFNVSM-UHFFFAOYSA-N -1 1 345.443 2.406 10 30 EEEEMM C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001297324548 1329961491 /nfs/dbraw/zinc/96/14/91/1329961491.db2.gz XNJAJNCCSJZLOE-LSDHHAIUSA-N -1 1 345.443 2.453 10 30 EEEEMM C#CCCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001333551241 1336068698 /nfs/dbraw/zinc/06/86/98/1336068698.db2.gz IFUXPIDRMMOVRS-HNNXBMFYSA-N -1 1 343.427 2.044 10 30 EEEEMM C=CCC1(C(=O)NC2CC(N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC001339181506 1336971398 /nfs/dbraw/zinc/97/13/98/1336971398.db2.gz RHDHAORNJKJPTR-UHFFFAOYSA-N -1 1 343.427 2.253 10 30 EEEEMM C=CC[C@H]1CCN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001341279259 1337288609 /nfs/dbraw/zinc/28/86/09/1337288609.db2.gz FSUZDFPGSYYKQQ-LBPRGKRZSA-N -1 1 339.417 2.249 10 30 EEEEMM N#Cc1cccc(O[N-]C(=O)CCN2C(=O)CCc3ccccc32)c1 ZINC001631982614 1352592305 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COc1cnc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nc1 ZINC001519598798 1119091802 /nfs/dbraw/zinc/09/18/02/1119091802.db2.gz YLIVJJGAHCBDRS-UHFFFAOYSA-N -1 1 333.691 2.171 10 30 EEEEMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1Cl ZINC000055549420 214329584 /nfs/dbraw/zinc/32/95/84/214329584.db2.gz WEHKESJYIFKMHM-UHFFFAOYSA-N -1 1 335.772 2.111 10 30 EEEEMM C/C=C\C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OCC ZINC000433878013 539950166 /nfs/dbraw/zinc/95/01/66/539950166.db2.gz OIYANUHQMVPHED-MFBWXBCUSA-N -1 1 342.461 2.278 10 30 EEEEMM Cc1cc(NC(=O)c2cccc(C#N)c2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000038740572 213223468 /nfs/dbraw/zinc/22/34/68/213223468.db2.gz SGEIWCRIQPYLPX-UHFFFAOYSA-N -1 1 348.366 2.417 10 30 EEEEMM N#CCCN(Cc1cccnc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000080779841 463355515 /nfs/dbraw/zinc/35/55/15/463355515.db2.gz PRHCCSXTQZRMII-UHFFFAOYSA-N -1 1 333.351 2.286 10 30 EEEEMM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2n1 ZINC000427775422 467177778 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C#CC1(O)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000899119506 693618065 /nfs/dbraw/zinc/61/80/65/693618065.db2.gz OWSKPJKPBZWZCD-UHFFFAOYSA-N -1 1 330.771 2.194 10 30 EEEEMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1ccccc1C)C(=O)OCC ZINC000867592100 1201640174 /nfs/dbraw/zinc/64/01/74/1201640174.db2.gz PNGLLQNYEILPLL-AWEZNQCLSA-N -1 1 345.848 2.489 10 30 EEEEMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000780205887 1244268919 /nfs/dbraw/zinc/26/89/19/1244268919.db2.gz NZBWURJJMLXEGR-SFHVURJKSA-N -1 1 339.347 2.286 10 30 EEEEMM C#Cc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC001190549082 1280945238 /nfs/dbraw/zinc/94/52/38/1280945238.db2.gz VWHBFPSSGKROOW-JOCHJYFZSA-N -1 1 348.449 2.159 10 30 EEEEMM C#C[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000856115713 1293411197 /nfs/dbraw/zinc/41/11/97/1293411197.db2.gz HXKKFTFOWJCUGY-ZDUSSCGKSA-N -1 1 338.201 2.313 10 30 EEEEMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(F)cc1OC ZINC000863177136 1296141269 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C=C(C)C(C)(C)C(=O)NCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001280812634 1324536722 /nfs/dbraw/zinc/53/67/22/1324536722.db2.gz QEFMSMZITJYZRU-CYBMUJFWSA-N -1 1 333.432 2.404 10 30 EEEEMM C=C(C)CCC(=O)N1CC=C(CCNC(=O)c2ncccc2[O-])CC1 ZINC001281515060 1325205225 /nfs/dbraw/zinc/20/52/25/1325205225.db2.gz VPNVMJLXZNACKA-UHFFFAOYSA-N -1 1 343.427 2.422 10 30 EEEEMM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001282254104 1325669978 /nfs/dbraw/zinc/66/99/78/1325669978.db2.gz RPGSUFKPTNXGCM-UONOGXRCSA-N -1 1 331.416 2.253 10 30 EEEEMM C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282728253 1325773994 /nfs/dbraw/zinc/77/39/94/1325773994.db2.gz KYMSRDDMPZIHMS-MCIONIFRSA-N -1 1 343.427 2.251 10 30 EEEEMM C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001288040407 1327606206 /nfs/dbraw/zinc/60/62/06/1327606206.db2.gz NIBAXNWYJULNME-ZIAGYGMSSA-N -1 1 331.416 2.158 10 30 EEEEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC001292564461 1328439403 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C=C1CC(C)(C(=O)NCCCN(CC)C(=O)c2ncccc2[O-])C1 ZINC001523942395 1119931405 /nfs/dbraw/zinc/93/14/05/1119931405.db2.gz DHGNZJBVSHLSRM-UHFFFAOYSA-N -1 1 331.416 2.112 10 30 EEEEMM C=C(C)CCC(=O)N1CC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001536248542 1123672611 /nfs/dbraw/zinc/67/26/11/1123672611.db2.gz CCKUELCMBAWDCD-IBGZPJMESA-N -1 1 343.427 2.208 10 30 EEEEMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000125220172 292294812 /nfs/dbraw/zinc/29/48/12/292294812.db2.gz ZQDFLSIQSHGEDV-LBPRGKRZSA-N -1 1 340.401 2.079 10 30 EEEEMM Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000525952425 268096205 /nfs/dbraw/zinc/09/62/05/268096205.db2.gz FIPFNWFHQXKCFQ-HNNXBMFYSA-N -1 1 341.367 2.300 10 30 EEEEMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)o1 ZINC000528558128 268258851 /nfs/dbraw/zinc/25/88/51/268258851.db2.gz PYTOEEFKMVJEME-NILFDRSVSA-N -1 1 334.784 2.421 10 30 EEEEMM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1 ZINC000360234473 465546473 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EEEEMM C=CC(C)(C)C(=O)NCCCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001340684164 1337228758 /nfs/dbraw/zinc/22/87/58/1337228758.db2.gz KTWDNJXJWLWGKQ-ZDUSSCGKSA-N -1 1 333.432 2.404 10 30 EEEEMM CC#CCCCC(=O)N1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001582338569 1344736196 /nfs/dbraw/zinc/73/61/96/1344736196.db2.gz HOOYTSVRGYZLHD-OAHLLOKOSA-N -1 1 343.427 2.044 10 30 EEEEMM C#C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001622280754 1352380783 /nfs/dbraw/zinc/38/07/83/1352380783.db2.gz SAKDBEQSYKWTMM-ZDUSSCGKSA-N -1 1 334.328 2.387 10 30 EEEEMM Cn1c(C#N)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001623365025 1352395352 /nfs/dbraw/zinc/39/53/52/1352395352.db2.gz WMERCDZFWDEVLR-UHFFFAOYSA-N -1 1 334.173 2.295 10 30 EEEEMM C#Cc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC001631537727 1352585886 /nfs/dbraw/zinc/58/58/86/1352585886.db2.gz VEUNFMATPZTUAW-UHFFFAOYSA-N -1 1 332.356 2.431 10 30 EEEEMM C=CC[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)OCC ZINC001632661152 1352599912 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2.356 10 30 EEEEMM C=C[C@@H](CC)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001532722342 1122907085 /nfs/dbraw/zinc/90/70/85/1122907085.db2.gz KNYNRXNKGBMUPZ-UONOGXRCSA-N -1 1 333.432 2.260 10 30 EEEEMM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)ccc1OC ZINC000417586045 466888458 /nfs/dbraw/zinc/88/84/58/466888458.db2.gz AJRFANGPGCBEIP-QGZVFWFLSA-N -1 1 345.399 2.299 10 30 EEEEMM Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCC2)[n-]c(=O)c1C1CC1 ZINC000601088368 468738218 /nfs/dbraw/zinc/73/82/18/468738218.db2.gz OFNHSRGYIDAOBE-JTQLQIEISA-N -1 1 332.429 2.411 10 30 EEEEMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c1 ZINC000619620884 469652173 /nfs/dbraw/zinc/65/21/73/469652173.db2.gz ZHJJCOUFPXFDLE-UHFFFAOYSA-N -1 1 341.392 2.290 10 30 EEEEMM Cc1cc(C=Nn2c(=O)cn[n-]c2=S)c(C)n1-c1ccccc1 ZINC000766477177 577520142 /nfs/dbraw/zinc/52/01/42/577520142.db2.gz GLFCMYAWFJVVIQ-UHFFFAOYSA-N -1 1 325.397 2.217 10 30 EEEEMM CCCCn1cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c(C)n1 ZINC000901769808 694079383 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338.282 2.151 10 30 EEEEMM CCCCCCCN1CC2(C1)C[C@@H](NC(=O)c1ncccc1[O-])CO2 ZINC001273697272 1283537296 /nfs/dbraw/zinc/53/72/96/1283537296.db2.gz UORKYUOYCOBCED-OAHLLOKOSA-N -1 1 347.459 2.331 10 30 EEEEMM C=CCn1c(-c2nnn[n-]2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001121716167 1310117619 /nfs/dbraw/zinc/11/76/19/1310117619.db2.gz BJWMUSXFEQNSKJ-GXTWGEPZSA-N -1 1 336.403 2.027 10 30 EEEEMM C=CCn1c(-c2nn[n-]n2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001121716167 1310117623 /nfs/dbraw/zinc/11/76/23/1310117623.db2.gz BJWMUSXFEQNSKJ-GXTWGEPZSA-N -1 1 336.403 2.027 10 30 EEEEMM C=CC(C)(C)CC(=O)NC[C@@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001285130629 1326880662 /nfs/dbraw/zinc/88/06/62/1326880662.db2.gz BSPMQTBVMKRHSA-LJQANCHMSA-N -1 1 345.443 2.404 10 30 EEEEMM C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001288465307 1327784283 /nfs/dbraw/zinc/78/42/83/1327784283.db2.gz DFFAPSRLGMMDGB-ZIAGYGMSSA-N -1 1 345.443 2.499 10 30 EEEEMM C=CC1(CC(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCCCC1 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343.390 2.229 10 30 EEEEMM C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001680712805 1357905788 /nfs/dbraw/zinc/90/57/88/1357905788.db2.gz HGCMXGUWQPTPJN-QWHCGFSZSA-N -1 1 331.416 2.014 10 30 EEEEMM C=CC1(CC(=O)Nc2nc3nc(CC)cc(=O)n3[n-]2)CCCCC1 ZINC000906058660 783674186 /nfs/dbraw/zinc/67/41/86/783674186.db2.gz WNCDRZKUXAZUKP-UHFFFAOYSA-N -1 1 329.404 2.445 10 30 EEEEMM C=C(C)C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908748292 785687721 /nfs/dbraw/zinc/68/77/21/785687721.db2.gz CSVVAUBRGRRVGK-HUUCEWRRSA-N -1 1 337.395 2.147 10 30 EEEEMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000908814726 785749744 /nfs/dbraw/zinc/74/97/44/785749744.db2.gz SKIYQBMZQCELEE-ZIAGYGMSSA-N -1 1 339.461 2.460 10 30 EEEEMM N#Cc1cc(Br)ccc1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000845365895 789747142 /nfs/dbraw/zinc/74/71/42/789747142.db2.gz DRUTWIBLALFQQM-CQSZACIVSA-N -1 1 339.189 2.438 10 30 EEEEMM COc1ccccc1-c1ncc(C=NNc2nc(C)cc(=O)[n-]2)cn1 ZINC000792870386 810038614 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C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001299629012 1319733145 /nfs/dbraw/zinc/73/31/45/1319733145.db2.gz PFYKXGXSIJCOMN-IBGZPJMESA-N -1 1 345.443 2.358 10 30 EEEEMM C=CCC(C)(C)C(=O)N1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC001280887152 1324607670 /nfs/dbraw/zinc/60/76/70/1324607670.db2.gz SJHRFMICLPFLQW-UHFFFAOYSA-N -1 1 345.443 2.453 10 30 EEEEMM C=CCCCC(=O)N(C)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001280966068 1324681378 /nfs/dbraw/zinc/68/13/78/1324681378.db2.gz AWWYYKXYOAVLBS-AWEZNQCLSA-N -1 1 331.416 2.110 10 30 EEEEMM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001282113892 1325625863 /nfs/dbraw/zinc/62/58/63/1325625863.db2.gz OMSPAGOPMLERDC-UONOGXRCSA-N -1 1 345.443 2.404 10 30 EEEEMM C=C(C)C[C@H](C)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001283930646 1326324514 /nfs/dbraw/zinc/32/45/14/1326324514.db2.gz LYQILCQTPAEHLF-GXTWGEPZSA-N -1 1 331.416 2.014 10 30 EEEEMM C=CC(C)(C)CC(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001286124566 1327301787 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CC(=O)N1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)Oc2ccccc21 ZINC001184347867 801997146 /nfs/dbraw/zinc/99/71/46/801997146.db2.gz HSPZLIXHYMCMBB-QGZVFWFLSA-N -1 1 344.342 2.358 10 30 EEEEMM C=C(C)CCC(=O)N[C@@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001503008224 1113870716 /nfs/dbraw/zinc/87/07/16/1113870716.db2.gz UMAVQDUEUKMOHC-LBPRGKRZSA-N -1 1 348.447 2.205 10 30 EEEEMM C=CCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001505564237 1114052536 /nfs/dbraw/zinc/05/25/36/1114052536.db2.gz WTYHBAHDPRDSAT-KGLIPLIRSA-N -1 1 331.416 2.110 10 30 EEEEMM Cc1cccc2nc([C@H](C#N)C(=O)c3cc4c(cn3)nc[nH]c4=O)[nH]c21 ZINC000426869026 241348757 /nfs/dbraw/zinc/34/87/57/241348757.db2.gz MWMKADKBYXFFQP-LLVKDONJSA-N -1 1 344.334 2.405 10 30 EEEEMM CCc1nc(C2([N-]S(=O)(=O)c3ccccc3C#N)CCCC2)no1 ZINC000124651565 463448981 /nfs/dbraw/zinc/44/89/81/463448981.db2.gz HHOXUHCCBARPQH-UHFFFAOYSA-N -1 1 346.412 2.251 10 30 EEEEMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000579464080 468361715 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O=C(NC1(c2nn[n-]n2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000571465663 468792648 /nfs/dbraw/zinc/79/26/48/468792648.db2.gz LICYQGDIPFTCBI-UHFFFAOYSA-N -1 1 329.363 2.019 10 30 EEEEMM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593595007 469050993 /nfs/dbraw/zinc/05/09/93/469050993.db2.gz KGQBESDOQIUDSZ-UHFFFAOYSA-N -1 1 325.415 2.438 10 30 EEEEMM N#Cc1cc([O-])cc(C(=O)NCc2ccn(Cc3ccccc3)n2)c1 ZINC000586840279 469075975 /nfs/dbraw/zinc/07/59/75/469075975.db2.gz AWPOSGSGDASDPF-UHFFFAOYSA-N -1 1 332.363 2.439 10 30 EEEEMM COCCOc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589170565 469206844 /nfs/dbraw/zinc/20/68/44/469206844.db2.gz RBBMYJRPBRDKFL-UHFFFAOYSA-N -1 1 326.352 2.219 10 30 EEEEMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nnc2ccccn21 ZINC000589184482 469207792 /nfs/dbraw/zinc/20/77/92/469207792.db2.gz RRARETZCPSNXPV-INIZCTEOSA-N -1 1 335.367 2.434 10 30 EEEEMM COc1ccccc1N1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589189163 469210232 /nfs/dbraw/zinc/21/02/32/469210232.db2.gz JTVDHUZUGFIXFP-HNNXBMFYSA-N -1 1 337.379 2.281 10 30 EEEEMM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc([O-])cc(C#N)c1)C[C@H](C)O2 ZINC000619545258 469635751 /nfs/dbraw/zinc/63/57/51/469635751.db2.gz PVNIVWFYAVAXTH-FHSNZYRGSA-N -1 1 330.384 2.062 10 30 EEEEMM C#CCC1(O)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000899224765 693670227 /nfs/dbraw/zinc/67/02/27/693670227.db2.gz UEHHVCSPPDUZLY-UHFFFAOYSA-N -1 1 325.364 2.241 10 30 EEEEMM C=C(C)CCC(=O)N[C@@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@H]1C ZINC001267867346 1180653566 /nfs/dbraw/zinc/65/35/66/1180653566.db2.gz SUPWILAPVJDBRK-CXAGYDPISA-N -1 1 335.452 2.021 10 30 EEEEMM C=CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccncc1 ZINC000872450178 1198188950 /nfs/dbraw/zinc/18/89/50/1198188950.db2.gz WWOQABJRZFBJAH-LRTDBIEQSA-N -1 1 345.490 2.430 10 30 EEEEMM N#Cc1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000802666972 1237957693 /nfs/dbraw/zinc/95/76/93/1237957693.db2.gz IKSNPDOXDHRQHU-UHFFFAOYSA-N -1 1 328.755 2.261 10 30 EEEEMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC001190518667 1280926607 /nfs/dbraw/zinc/92/66/07/1280926607.db2.gz MVZDGWJGESMRSI-AWEZNQCLSA-N -1 1 347.795 2.346 10 30 EEEEMM COCCCC1(C=NN=C2[N-]S(=O)(=O)c3ccccc32)CCC1 ZINC000863079536 1296112877 /nfs/dbraw/zinc/11/28/77/1296112877.db2.gz QEFZAHWHGBUJQK-UHFFFAOYSA-N -1 1 335.429 2.308 10 30 EEEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccns1 ZINC001122491173 1310309353 /nfs/dbraw/zinc/30/93/53/1310309353.db2.gz IVCFHUMBWWSODQ-UHFFFAOYSA-N -1 1 331.405 2.043 10 30 EEEEMM C#C[C@H](CCC)NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001252466991 1317608373 /nfs/dbraw/zinc/60/83/73/1317608373.db2.gz DBBRZOCPSDNQIT-TUAOUCFPSA-N -1 1 333.354 2.029 10 30 EEEEMM C=CCn1c(-c2nnn[n-]2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001262990734 1322418020 /nfs/dbraw/zinc/41/80/20/1322418020.db2.gz MEMVTKSBABHJQO-TZMCWYRMSA-N -1 1 336.403 2.027 10 30 EEEEMM C=CCn1c(-c2nn[n-]n2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001262990734 1322418024 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EEEEMM C=C(C)CCC(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001288899550 1327980362 /nfs/dbraw/zinc/98/03/62/1327980362.db2.gz WAKQAOBAKYCKOP-CABCVRRESA-N -1 1 345.443 2.358 10 30 EEEEMM C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001341147338 1337284845 /nfs/dbraw/zinc/28/48/45/1337284845.db2.gz UZIXZBSTKJPBJU-QLFBSQMISA-N -1 1 343.427 2.062 10 30 EEEEMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001341750016 1337297626 /nfs/dbraw/zinc/29/76/26/1337297626.db2.gz MJCQXLPWAJHLHK-CQSZACIVSA-N -1 1 336.403 2.158 10 30 EEEEMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001341750016 1337297630 /nfs/dbraw/zinc/29/76/30/1337297630.db2.gz MJCQXLPWAJHLHK-CQSZACIVSA-N -1 1 336.403 2.158 10 30 EEEEMM C=C[C@@H](C)ONC(=O)c1cc(I)ccc1[O-] ZINC001452738680 1105668283 /nfs/dbraw/zinc/66/82/83/1105668283.db2.gz PVSXHSNROVUMON-SSDOTTSWSA-N -1 1 333.125 2.233 10 30 EEEEMM C=CCC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(=O)OCC ZINC001462248376 1110354905 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/nfs/dbraw/zinc/11/99/06/1293119906.db2.gz VOHUOQVVKUVXHL-OAHLLOKOSA-N -1 1 337.379 2.281 10 30 EEEEMM C=CCn1c(-c2noc(=O)[n-]2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001262935188 1322398434 /nfs/dbraw/zinc/39/84/34/1322398434.db2.gz MBXPQYMDUQIJCH-ZDUSSCGKSA-N -1 1 338.371 2.279 10 30 EEEEMM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001284682020 1326664227 /nfs/dbraw/zinc/66/42/27/1326664227.db2.gz QMXDZFCKXZAOOO-ZDUSSCGKSA-N -1 1 331.416 2.110 10 30 EEEEMM C=CCC1(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])CCCC1 ZINC001285723774 1327124246 /nfs/dbraw/zinc/12/42/46/1327124246.db2.gz XUYPCSMYUCIFKE-ZDUSSCGKSA-N -1 1 331.416 2.158 10 30 EEEEMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001356148508 1338800519 /nfs/dbraw/zinc/80/05/19/1338800519.db2.gz LVLRSCNTMCRXHV-CYBMUJFWSA-N -1 1 328.424 2.193 10 30 EEEEMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001356148508 1338800522 /nfs/dbraw/zinc/80/05/22/1338800522.db2.gz LVLRSCNTMCRXHV-CYBMUJFWSA-N -1 1 328.424 2.193 10 30 EEEEMM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001684979427 1358294460 /nfs/dbraw/zinc/29/44/60/1358294460.db2.gz VILMJIKLZSVSEG-LSDHHAIUSA-N -1 1 343.427 2.090 10 30 EEEEMM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001681558473 1358030346 /nfs/dbraw/zinc/03/03/46/1358030346.db2.gz RAZQIJPKRBWCAM-STQMWFEESA-N -1 1 333.432 2.403 10 30 EEEEMM N#C[C@]1(C(=O)Nc2cccc([O-])c2Br)CCCOC1 ZINC000908718464 785646830 /nfs/dbraw/zinc/64/68/30/785646830.db2.gz YPTMOHZKWBSORJ-CYBMUJFWSA-N -1 1 325.162 2.414 10 30 EEEEMM C=CCCC[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)C(=O)[O-] ZINC000908747702 785686924 /nfs/dbraw/zinc/68/69/24/785686924.db2.gz UYCOCSJTLGGMJK-QWHCGFSZSA-N -1 1 339.461 2.460 10 30 EEEEMM C=C(Cl)C[C@@H](NC(=O)c1ccc(CN(CC)CC)o1)C(=O)[O-] ZINC000910266999 786593904 /nfs/dbraw/zinc/59/39/04/786593904.db2.gz PSINDMJIYHSDPF-GFCCVEGCSA-N -1 1 328.796 2.447 10 30 EEEEMM Cc1cccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)c1C#N ZINC000921863851 797720797 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CC[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cccc(C#N)c1[O-] ZINC000926118096 1206194338 /nfs/dbraw/zinc/19/43/38/1206194338.db2.gz VSMUCMPIUGWALG-OAHLLOKOSA-N -1 1 327.388 2.112 10 30 EEEEMM C=CCCC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(=O)OC ZINC001155475086 1317612459 /nfs/dbraw/zinc/61/24/59/1317612459.db2.gz KTDKYIODYMITSB-LBPRGKRZSA-N -1 1 349.431 2.416 10 30 EEEEMM C#CC[C@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)C1 ZINC001263742475 1322510533 /nfs/dbraw/zinc/51/05/33/1322510533.db2.gz SNBIVTQZELLOET-NSHDSACASA-N -1 1 345.838 2.366 10 30 EEEEMM C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001284670401 1326657138 /nfs/dbraw/zinc/65/71/38/1326657138.db2.gz AUEQBGINZJFNOZ-ZDUSSCGKSA-N -1 1 331.416 2.110 10 30 EEEEMM C=CC(C)(C)CC(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001285130628 1326880728 /nfs/dbraw/zinc/88/07/28/1326880728.db2.gz BSPMQTBVMKRHSA-IBGZPJMESA-N -1 1 345.443 2.404 10 30 EEEEMM C=CCCC[C@H](C)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001333178387 1335976595 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EEEEMM C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001688207195 1358843450 /nfs/dbraw/zinc/84/34/50/1358843450.db2.gz VUQVKDCJNXOXSZ-CQSZACIVSA-N -1 1 343.427 2.134 10 30 EEEEMM C=C(C)C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908748293 785687986 /nfs/dbraw/zinc/68/79/86/785687986.db2.gz CSVVAUBRGRRVGK-LSDHHAIUSA-N -1 1 337.395 2.147 10 30 EEEEMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC(CC(C)C)CC1 ZINC001515032407 1118929767 /nfs/dbraw/zinc/92/97/67/1118929767.db2.gz VQMRLBYJKLJZNV-UHFFFAOYSA-N -1 1 330.440 2.297 10 30 EEEEMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC(CC(C)C)CC1 ZINC001515032407 1118929770 /nfs/dbraw/zinc/92/97/70/1118929770.db2.gz VQMRLBYJKLJZNV-UHFFFAOYSA-N -1 1 330.440 2.297 10 30 EEEEMM C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001529243064 1121378558 /nfs/dbraw/zinc/37/85/58/1121378558.db2.gz CEXAYMQXFVVDKF-KBPBESRZSA-N -1 1 331.416 2.110 10 30 EEEEMM N#CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)CCCCC1 ZINC000562319344 468936006 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C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(=O)OCC ZINC000882644466 1201912604 /nfs/dbraw/zinc/91/26/04/1201912604.db2.gz GWRMVERLPNUKJI-HNNXBMFYSA-N -1 1 343.420 2.451 10 30 EEEEMM COC(=O)c1ccc(N=NCc2cc(C(=O)[O-])c(C)[nH]2)c(OC)c1 ZINC000800815200 1234613746 /nfs/dbraw/zinc/61/37/46/1234613746.db2.gz PDYZWLCVAAYTDR-UHFFFAOYSA-N -1 1 331.328 2.263 10 30 EEEEMM N#CC1(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)CCOCC1 ZINC000850299303 1277150284 /nfs/dbraw/zinc/15/02/84/1277150284.db2.gz RQRWILNAMMYJTC-UHFFFAOYSA-N -1 1 343.335 2.252 10 30 EEEEMM C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001489229968 1290480555 /nfs/dbraw/zinc/48/05/55/1290480555.db2.gz YROUTMNXNKPOIS-SOUVJXGZSA-N -1 1 343.427 2.062 10 30 EEEEMM N#Cc1cccc(COc2cccc(NC(=O)CCc3nn[n-]n3)c2)c1 ZINC001141690306 1315242525 /nfs/dbraw/zinc/24/25/25/1315242525.db2.gz HFSQRYHLLAYBAO-UHFFFAOYSA-N -1 1 348.366 2.222 10 30 EEEEMM C=C(C)C[C@@H](C)C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001293762427 1328804898 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EEEEMM C=CCC(C)(C)C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001523221793 1119708001 /nfs/dbraw/zinc/70/80/01/1119708001.db2.gz VFRLKAZUFHYTIQ-UHFFFAOYSA-N -1 1 331.416 2.110 10 30 EEEEMM N#C[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000230894206 539660085 /nfs/dbraw/zinc/66/00/85/539660085.db2.gz CDBGTRRVETWCOZ-JTQLQIEISA-N -1 1 342.136 2.029 10 30 EEEEMM N#Cc1ccc(C2(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)CC2)cc1 ZINC000520571024 268208459 /nfs/dbraw/zinc/20/84/59/268208459.db2.gz RJSYTNIPSCGVOI-ZDUSSCGKSA-N -1 1 338.367 2.085 10 30 EEEEMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(CCC)n[nH]2)c1 ZINC000126497248 463641654 /nfs/dbraw/zinc/64/16/54/463641654.db2.gz OUPTXZCUYMTYLY-UHFFFAOYSA-N -1 1 348.428 2.079 10 30 EEEEMM N#Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1[O-] ZINC000188381730 464267769 /nfs/dbraw/zinc/26/77/69/464267769.db2.gz OELJXNMUDNKPIT-UHFFFAOYSA-N -1 1 341.411 2.129 10 30 EEEEMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000324576334 466648174 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C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OC ZINC000601502795 468898315 /nfs/dbraw/zinc/89/83/15/468898315.db2.gz XVXPVNUYTUGQAS-CYBMUJFWSA-N -1 1 349.811 2.406 10 30 EEEEMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1S(C)(=O)=O ZINC000589196665 469212057 /nfs/dbraw/zinc/21/20/57/469212057.db2.gz RDARYCNMVLTPSU-UHFFFAOYSA-N -1 1 330.365 2.228 10 30 EEEEMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000614292860 469901702 /nfs/dbraw/zinc/90/17/02/469901702.db2.gz CDVTUFPGOJPSPU-LBPRGKRZSA-N -1 1 333.351 2.336 10 30 EEEEMM N#Cc1ccsc1NC(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000749279640 577973913 /nfs/dbraw/zinc/97/39/13/577973913.db2.gz ORPDAFOKXNFXOB-UHFFFAOYSA-N -1 1 338.291 2.399 10 30 EEEEMM C=C(C)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OCC ZINC000882644746 1201912633 /nfs/dbraw/zinc/91/26/33/1201912633.db2.gz PXNRMQDJPCCOBN-AWEZNQCLSA-N -1 1 342.461 2.278 10 30 EEEEMM N#CC[C@H]([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)C(F)(F)F ZINC000901770284 1236296882 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C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001661978421 1354732732 /nfs/dbraw/zinc/73/27/32/1354732732.db2.gz UQNXKFIQIGZRGB-LSDHHAIUSA-N -1 1 347.463 2.212 10 30 EEEEMM C=C(C)C[C@H](C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001681599747 1358038364 /nfs/dbraw/zinc/03/83/64/1358038364.db2.gz NHDMXHQVEVTRTL-AWEZNQCLSA-N -1 1 343.427 2.064 10 30 EEEEMM C#CC[C@H]1CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000843679658 770076573 /nfs/dbraw/zinc/07/65/73/770076573.db2.gz UYDLHEYAJYUTNR-ZDUSSCGKSA-N -1 1 333.457 2.407 10 30 EEEEMM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccccc1F)C(=O)OC ZINC000921384502 773319995 /nfs/dbraw/zinc/31/99/95/773319995.db2.gz QCZSAIGSHDSVAJ-AWEZNQCLSA-N -1 1 329.393 2.143 10 30 EEEEMM Cc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1C#N ZINC000921638972 790237153 /nfs/dbraw/zinc/23/71/53/790237153.db2.gz FOUTVCJRTKLJQJ-OAQYLSRUSA-N -1 1 343.474 2.097 10 30 EEEEMM C=C(CCC(=O)OC)C(=O)NCc1cccc(Br)c1[O-] ZINC001467764342 1110462980 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EEEEMM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)s1 ZINC000619547330 469635617 /nfs/dbraw/zinc/63/56/17/469635617.db2.gz IWKOTUFEZIFDNU-UHFFFAOYSA-N -1 1 331.382 2.001 10 30 EEEEMM Cc1cc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c(C)n1-c1ccccc1 ZINC000731157779 577083644 /nfs/dbraw/zinc/08/36/44/577083644.db2.gz QXCTVXFHGVYHAH-UHFFFAOYSA-N -1 1 347.382 2.286 10 30 EEEEMM C#CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001487126988 1197230110 /nfs/dbraw/zinc/23/01/10/1197230110.db2.gz MZDCTBQSUOGRPV-HNNXBMFYSA-N -1 1 343.427 2.092 10 30 EEEEMM C=CCCSCC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872505490 1198218281 /nfs/dbraw/zinc/21/82/81/1198218281.db2.gz TVRHLGJRPKSXKC-SFHVURJKSA-N -1 1 328.525 2.026 10 30 EEEEMM N#C[C@@H](NC(=O)c1ccc(I)cc1[O-])C1CC1 ZINC000865634308 1198308701 /nfs/dbraw/zinc/30/87/01/1198308701.db2.gz AWBZRAOZMYXQLS-SNVBAGLBSA-N -1 1 342.136 2.029 10 30 EEEEMM C#C[C@H]1CC[C@H](NC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000873297975 1198554741 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C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001280775799 1324501129 /nfs/dbraw/zinc/50/11/29/1324501129.db2.gz PYXFEBHILUTAKW-LXIYXOSZSA-N -1 1 331.416 2.014 10 30 EEEEMM C=CC(C)(C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001285405318 1326985964 /nfs/dbraw/zinc/98/59/64/1326985964.db2.gz UECGEOMMQCQFGY-KBPBESRZSA-N -1 1 345.443 2.404 10 30 EEEEMM C=C(C)CCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001287999668 1327590539 /nfs/dbraw/zinc/59/05/39/1327590539.db2.gz DHIFASAEBPJBQJ-KBPBESRZSA-N -1 1 331.416 2.253 10 30 EEEEMM C=C(C)CCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001338346959 1336844722 /nfs/dbraw/zinc/84/47/22/1336844722.db2.gz BCXCCSXKBWKNDC-KGLIPLIRSA-N -1 1 331.416 2.158 10 30 EEEEMM C=CC(C)(C)C(=O)NCCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001340684162 1337228629 /nfs/dbraw/zinc/22/86/29/1337228629.db2.gz KTWDNJXJWLWGKQ-CYBMUJFWSA-N -1 1 333.432 2.404 10 30 EEEEMM C=C(C)CCC(=O)N(C)C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001353241169 1338222566 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C=CCCC1(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])CC1 ZINC001679963104 1357779385 /nfs/dbraw/zinc/77/93/85/1357779385.db2.gz JGFZOMDEMFRBLR-ZDUSSCGKSA-N -1 1 331.416 2.110 10 30 EEEEMM C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001681508401 1358017971 /nfs/dbraw/zinc/01/79/71/1358017971.db2.gz PWCXRFWBLLSXOQ-LSDHHAIUSA-N -1 1 345.443 2.358 10 30 EEEEMM CC(Cc1ccn(C(C)C)n1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000782901113 761994075 /nfs/dbraw/zinc/99/40/75/761994075.db2.gz ASNVCAYIOYQDTE-UHFFFAOYSA-N -1 1 345.428 2.121 10 30 EEEEMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)C1CCCCCC1 ZINC000916829040 797901313 /nfs/dbraw/zinc/90/13/13/797901313.db2.gz DOGNXNCVYQQDRH-AWEZNQCLSA-N -1 1 344.477 2.358 10 30 EEEEMM Cn1[n-]cc2c(=NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)ccnc1-2 ZINC000808784031 812854946 /nfs/dbraw/zinc/85/49/46/812854946.db2.gz NGQMJZYCSDGWJK-UHFFFAOYSA-N -1 1 335.342 2.023 10 30 EEEEMM