smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)c1ccc(NC(=O)Cn2cnc(N)n2)cc1 ZINC000315310320 774814135 /nfs/dbraw/zinc/81/41/35/774814135.db2.gz RDNOPRIXZUVAHF-UHFFFAOYSA-N 0 0 300.322 0.415 10 30 DCEERN O=S(=O)(NCC#CCO)c1ccc(Br)cc1F ZINC000717553741 951553051 /nfs/dbraw/zinc/55/30/51/951553051.db2.gz NLKXONYUEXXHJV-UHFFFAOYSA-N 0 0 322.155 0.862 10 30 DCEERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000362782927 529704185 /nfs/dbraw/zinc/70/41/85/529704185.db2.gz XUDQOANQUSLGFK-GXTWGEPZSA-N 0 0 321.425 0.673 10 30 DCEERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](C#N)C1)CC2 ZINC000114975215 529751337 /nfs/dbraw/zinc/75/13/37/529751337.db2.gz FDLGSLFHWWMEAK-GHMZBOCLSA-N 0 0 304.354 0.089 10 30 DCEERN CNC(=O)C(C)(C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000378220794 529838084 /nfs/dbraw/zinc/83/80/84/529838084.db2.gz WLYMFTXXXGXYCC-GFCCVEGCSA-N 0 0 307.398 0.140 10 30 DCEERN COC(=O)[C@@H]1C=C[C@@H](C#N)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000005837394 181288524 /nfs/dbraw/zinc/28/85/24/181288524.db2.gz QBCGTNVSOADNPU-RYUDHWBXSA-N 0 0 312.285 0.149 10 30 DCEERN CCCN(C[C@@H]1CCCCO1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301281080 283280257 /nfs/dbraw/zinc/28/02/57/283280257.db2.gz QACMCRVRVBUENN-LBPRGKRZSA-N 0 0 320.393 0.741 10 30 DCEERN Cn1cc(CNC(=O)N2CCO[C@H](C#N)C2)c(C(F)(F)F)n1 ZINC000160892302 237089053 /nfs/dbraw/zinc/08/90/53/237089053.db2.gz LCMYORJGGIMIHD-SECBINFHSA-N 0 0 317.271 0.873 10 30 DCEERN N#CCOc1ccccc1C(=O)N1CCCN(C(N)=O)CC1 ZINC000171496049 237134419 /nfs/dbraw/zinc/13/44/19/237134419.db2.gz QXWVPLZGSKPWGE-UHFFFAOYSA-N 0 0 302.334 0.816 10 30 DCEERN Cc1cc(C(C)C)nc(N2CCN(CC(=O)NCC#N)CC2)n1 ZINC000186877434 237331010 /nfs/dbraw/zinc/33/10/10/237331010.db2.gz CQHBPQUZAYNEQD-UHFFFAOYSA-N 0 0 316.409 0.670 10 30 DCEERN C[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@H]1N1CCOCC1 ZINC000246489313 238159617 /nfs/dbraw/zinc/15/96/17/238159617.db2.gz 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239166055 /nfs/dbraw/zinc/16/60/55/239166055.db2.gz WMMZKLINONHQIO-CQSZACIVSA-N 0 0 302.382 0.655 10 30 DCEERN N#C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCN1C1CC1 ZINC000370984647 239180332 /nfs/dbraw/zinc/18/03/32/239180332.db2.gz ILMPFFUYVCGCLV-HUUCEWRRSA-N 0 0 307.394 0.771 10 30 DCEERN N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C1CC1 ZINC000370373952 239175132 /nfs/dbraw/zinc/17/51/32/239175132.db2.gz IYHHDFOMVIIAFX-LLVKDONJSA-N 0 0 316.321 0.384 10 30 DCEERN N#C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1C1CC1 ZINC000377679241 239241108 /nfs/dbraw/zinc/24/11/08/239241108.db2.gz UUIJVGYHMLPGKG-HNNXBMFYSA-N 0 0 323.360 0.475 10 30 DCEERN N#C[C@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)CCN1C1CC1 ZINC000374553061 239213172 /nfs/dbraw/zinc/21/31/72/239213172.db2.gz VLEUIAXUVNVMIJ-HNNXBMFYSA-N 0 0 323.360 0.475 10 30 DCEERN Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000408065862 239260415 /nfs/dbraw/zinc/26/04/15/239260415.db2.gz QYTGCJGWQDAPRY-UHFFFAOYSA-N 0 0 303.366 0.164 10 30 DCEERN CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014880352 181973663 /nfs/dbraw/zinc/97/36/63/181973663.db2.gz QFAPUKLCALRPLH-ARILJUKYSA-N 0 0 306.399 0.554 10 30 DCEERN COCCNC(=O)c1oc2c(c1C)/C(=N/NC(N)=S)CCC2 ZINC000040824443 183137817 /nfs/dbraw/zinc/13/78/17/183137817.db2.gz WNQXIZBLEWIFKE-RQZCQDPDSA-N 0 0 324.406 0.838 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000273508821 210829537 /nfs/dbraw/zinc/82/95/37/210829537.db2.gz RKYBOKARJDMCLH-SECBINFHSA-N 0 0 302.352 0.197 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000273438677 210775450 /nfs/dbraw/zinc/77/54/50/210775450.db2.gz QQVASUWJGOJYLU-JTQLQIEISA-N 0 0 324.308 0.604 10 30 DCEERN CO[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cnn(C)c1 ZINC000373989714 533039270 /nfs/dbraw/zinc/03/92/70/533039270.db2.gz KPHBHNCWMDZWMF-KBPBESRZSA-N 0 0 303.366 0.306 10 30 DCEERN C[C@@H](NC(=O)c1cnn2ccncc12)C(=O)N1CCOCC1 ZINC000329435795 533105887 /nfs/dbraw/zinc/10/58/87/533105887.db2.gz 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395849362 /nfs/dbraw/zinc/84/93/62/395849362.db2.gz MLDKFCSNSJPUIW-ZDUSSCGKSA-N 0 0 322.390 0.391 10 30 DCEERN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000123227103 395892781 /nfs/dbraw/zinc/89/27/81/395892781.db2.gz YPSQCPDAUIRWQZ-AWEZNQCLSA-N 0 0 323.418 0.635 10 30 DCEERN C=CCn1nnnc1S[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000052910767 395873666 /nfs/dbraw/zinc/87/36/66/395873666.db2.gz IDXJIGVUSINMLS-VIFPVBQESA-N 0 0 324.410 0.077 10 30 DCEERN COC(=O)C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000246126484 395941921 /nfs/dbraw/zinc/94/19/21/395941921.db2.gz ZCJTUCGBRNSUEY-LSDHHAIUSA-N 0 0 304.346 0.856 10 30 DCEERN C[C@H](C#N)CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000171783888 396125278 /nfs/dbraw/zinc/12/52/78/396125278.db2.gz PSXJEFRWXGJKHM-LLVKDONJSA-N 0 0 306.366 0.859 10 30 DCEERN CC1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)COC1 ZINC000171856557 396126759 /nfs/dbraw/zinc/12/67/59/396126759.db2.gz RWBYLLIOPTVYEW-UHFFFAOYSA-N 0 0 315.377 0.821 10 30 DCEERN 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302.396 0.909 10 30 DCEERN C=CCn1c(C)nnc1N1CCN(Cc2nc(C)no2)CC1 ZINC000558675551 396612352 /nfs/dbraw/zinc/61/23/52/396612352.db2.gz YBNNBMKJJUJWNV-UHFFFAOYSA-N 0 0 303.370 0.786 10 30 DCEERN Cc1onc(CC(=O)N2CCC[C@H]2Cn2ccnn2)c1C#N ZINC000585817096 396660831 /nfs/dbraw/zinc/66/08/31/396660831.db2.gz QGZUAUBKKJOWCJ-NSHDSACASA-N 0 0 300.322 0.680 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000300161811 396714912 /nfs/dbraw/zinc/71/49/12/396714912.db2.gz NVJQWBIDAAITMS-CHWSQXEVSA-N 0 0 305.359 0.457 10 30 DCEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@H](CNC(=O)NC)C1 ZINC000624980689 396738946 /nfs/dbraw/zinc/73/89/46/396738946.db2.gz ZOVFANZZAVLTNX-GFCCVEGCSA-N 0 0 322.413 0.551 10 30 DCEERN C=C[C@H](CO)NS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000625286864 396831105 /nfs/dbraw/zinc/83/11/05/396831105.db2.gz KHAODYFOLUEVKH-KGLIPLIRSA-N 0 0 317.382 0.850 10 30 DCEERN C[C@@H]1NC(=O)CC[C@@H]1NC([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329039584 396837305 /nfs/dbraw/zinc/83/73/05/396837305.db2.gz ZYDUJDGXMVVMKD-XWLWVQCSSA-N 0 0 308.342 0.229 10 30 DCEERN C=C(C)[C@@H](CO)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000611237155 396841682 /nfs/dbraw/zinc/84/16/82/396841682.db2.gz AEEGTPXAGCOBBS-UONOGXRCSA-N 0 0 312.410 0.657 10 30 DCEERN C=CC[C@@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC000625353639 396844372 /nfs/dbraw/zinc/84/43/72/396844372.db2.gz DTKYTOQAAQYRAP-CQSZACIVSA-N 0 0 302.440 0.937 10 30 DCEERN C=C[C@H](O)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000597039608 396878239 /nfs/dbraw/zinc/87/82/39/396878239.db2.gz SMRDLDONHXPFQW-OLZOCXBDSA-N 0 0 317.370 0.945 10 30 DCEERN C=CCOCCNC(=O)Nc1cccn(CC(=O)OCC)c1=O ZINC000611557920 396886122 /nfs/dbraw/zinc/88/61/22/396886122.db2.gz CAUCJEPGZDWSHE-UHFFFAOYSA-N 0 0 323.349 0.736 10 30 DCEERN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)ccn1 ZINC000618137935 396909645 /nfs/dbraw/zinc/90/96/45/396909645.db2.gz RTLSBFRIXDAROO-LBPRGKRZSA-N 0 0 315.333 0.019 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 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DCEERN C=C(C)C[C@@H]1NC(=O)N(CC(C)(C)NS(C)(=O)=O)C1=O ZINC000630972493 397148951 /nfs/dbraw/zinc/14/89/51/397148951.db2.gz HTKQAPBWUFSSOX-VIFPVBQESA-N 0 0 303.384 0.201 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O ZINC000630976705 397150003 /nfs/dbraw/zinc/15/00/03/397150003.db2.gz FEVCJEMPRJXXGM-WOPDTQHZSA-N 0 0 309.366 0.509 10 30 DCEERN COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c(OC)n1 ZINC000619589433 397154149 /nfs/dbraw/zinc/15/41/49/397154149.db2.gz PAYGIMVORPOLQX-MRVPVSSYSA-N 0 0 302.294 0.762 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC ZINC000601501952 397154664 /nfs/dbraw/zinc/15/46/64/397154664.db2.gz HZYHMPNWCIIVPM-NWDGAFQWSA-N 0 0 305.396 0.983 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)OC ZINC000601502026 397154678 /nfs/dbraw/zinc/15/46/78/397154678.db2.gz IWQAXQRSFWRGHB-SNVBAGLBSA-N 0 0 307.368 0.367 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)OC ZINC000601501530 397155107 /nfs/dbraw/zinc/15/51/07/397155107.db2.gz 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C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000620245957 397254868 /nfs/dbraw/zinc/25/48/68/397254868.db2.gz CRXXEUASLBARKQ-LSDHHAIUSA-N 0 0 321.421 0.928 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1C#N ZINC000408363148 397354556 /nfs/dbraw/zinc/35/45/56/397354556.db2.gz URLRRJBTRGJGJR-LLVKDONJSA-N 0 0 308.388 0.891 10 30 DCEERN C=C(C)[C@H](CO)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382897 397383191 /nfs/dbraw/zinc/38/31/91/397383191.db2.gz IBPWNKGKIOCDKB-HNNXBMFYSA-N 0 0 307.369 0.984 10 30 DCEERN C=CCNC(=O)CNC(=O)NCc1ccc(CC(=O)OC)cc1 ZINC000599018891 397324375 /nfs/dbraw/zinc/32/43/75/397324375.db2.gz FDROWYQETOOBJX-UHFFFAOYSA-N 0 0 319.361 0.504 10 30 DCEERN C=CCNC(=O)CNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602584812 397443472 /nfs/dbraw/zinc/44/34/72/397443472.db2.gz LEKYKUOGISHGIJ-UHFFFAOYSA-N 0 0 308.382 0.767 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cnn(CCOC)c1 ZINC000614477944 397446118 /nfs/dbraw/zinc/44/61/18/397446118.db2.gz FVLKURPEQSRJII-AWEZNQCLSA-N 0 0 308.382 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ABYVHOZLQGONTD-UHFFFAOYSA-N 0 0 310.313 0.555 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000172568227 158395606 /nfs/dbraw/zinc/39/56/06/158395606.db2.gz GYYSXIYFMZEKNF-NEPJUHHUSA-N 0 0 322.386 0.971 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCO[C@@H](C3CCCCC3)C2)n1 ZINC000329426912 159091722 /nfs/dbraw/zinc/09/17/22/159091722.db2.gz JHRYVTQMTLIOKF-CYBMUJFWSA-N 0 0 303.366 0.957 10 30 DCEERN N#Cc1nccnc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408036902 160018868 /nfs/dbraw/zinc/01/88/68/160018868.db2.gz WVBUDUHLUJEISA-HNNXBMFYSA-N 0 0 301.350 0.302 10 30 DCEERN Cc1onc(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C#N ZINC000408151965 160048531 /nfs/dbraw/zinc/04/85/31/160048531.db2.gz YWJGDAJRWLDEKB-ABAIWWIYSA-N 0 0 318.377 0.576 10 30 DCEERN CN1CCO[C@@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@H]21 ZINC000408180220 160054479 /nfs/dbraw/zinc/05/44/79/160054479.db2.gz OHIFBVQYUHZOHU-HUUCEWRRSA-N 0 0 321.402 0.403 10 30 DCEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H](O)[C@H](O)C1 ZINC000408443615 160109086 /nfs/dbraw/zinc/10/90/86/160109086.db2.gz QIDWRMBMIFZMSH-GGZOMVNGSA-N 0 0 321.402 0.473 10 30 DCEERN COC(=O)[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc(C#N)c1 ZINC000083031862 415488459 /nfs/dbraw/zinc/48/84/59/415488459.db2.gz JMWRLKDTBXVYDS-HIFRSBDPSA-N 0 0 301.346 0.983 10 30 DCEERN CC[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)N1CCOCC1 ZINC000084222913 415492721 /nfs/dbraw/zinc/49/27/21/415492721.db2.gz NYDOCILULMTDOS-GFCCVEGCSA-N 0 0 304.350 0.264 10 30 DCEERN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H](C)O1 ZINC000086448127 415510392 /nfs/dbraw/zinc/51/03/92/415510392.db2.gz UKGVMPPANIDZLR-GHMZBOCLSA-N 0 0 305.338 0.371 10 30 DCEERN C=CCS(=O)(=O)CCN1C(=O)[C@H](CC(C)C)N(C)C1=O ZINC000292499972 415844660 /nfs/dbraw/zinc/84/46/60/415844660.db2.gz OYYNWIFHZZSWAI-NSHDSACASA-N 0 0 302.396 0.896 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 ZINC000292767707 415849897 /nfs/dbraw/zinc/84/98/97/415849897.db2.gz XGXJJCKBANZOIR-JTQLQIEISA-N 0 0 314.363 0.392 10 30 DCEERN C=C(C)CN(CC)C(=O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000354474089 415796606 /nfs/dbraw/zinc/79/66/06/415796606.db2.gz ZTGDHGMBZVLQNF-CYBMUJFWSA-N 0 0 302.440 0.778 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000290872408 415826583 /nfs/dbraw/zinc/82/65/83/415826583.db2.gz LJNFCAYASUHLKY-LBPRGKRZSA-N 0 0 312.391 0.327 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)CNC(=O)c2ccsc2)C1=O ZINC000337077282 415905243 /nfs/dbraw/zinc/90/52/43/415905243.db2.gz RNEGNPOJHUXAIK-LBPRGKRZSA-N 0 0 321.402 0.723 10 30 DCEERN C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337103933 415911054 /nfs/dbraw/zinc/91/10/54/415911054.db2.gz AFZYBHROBHZMSA-NEPJUHHUSA-N 0 0 303.428 0.922 10 30 DCEERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)O1 ZINC000124739653 415853475 /nfs/dbraw/zinc/85/34/75/415853475.db2.gz LLMJXYRFMXIJNN-SCRDCRAPSA-N 0 0 315.377 0.953 10 30 DCEERN C=C(C)COCCNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000337314648 415940941 /nfs/dbraw/zinc/94/09/41/415940941.db2.gz 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/nfs/dbraw/zinc/12/00/11/416120011.db2.gz NAIVKYCNNZKKGH-GFCCVEGCSA-N 0 0 300.322 0.537 10 30 DCEERN Cn1cc([C@H]2[C@H](CNc3ccc(C#N)cn3)CC(=O)N2C)cn1 ZINC000328615488 416123767 /nfs/dbraw/zinc/12/37/67/416123767.db2.gz YRJQSOGOXRZFJC-BLLLJJGKSA-N 0 0 310.361 1.318 10 30 DCEERN CSC[C@H](C)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328637789 416125911 /nfs/dbraw/zinc/12/59/11/416125911.db2.gz OVCQRWBQOKDCBO-WDEREUQCSA-N 0 0 318.443 0.820 10 30 DCEERN O=C(NCCc1cnc(C2CC2)nc1)N[C@H]1CC[S@@](=O)C1 ZINC000328880395 416137215 /nfs/dbraw/zinc/13/72/15/416137215.db2.gz VUJDAQFIQGEPNS-QKVFXAPYSA-N 0 0 308.407 0.921 10 30 DCEERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329052419 416147088 /nfs/dbraw/zinc/14/70/88/416147088.db2.gz ABLRIYMVVBZDPQ-MROQNXINSA-N 0 0 316.423 0.629 10 30 DCEERN COC[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CC(C)(C)O1 ZINC000329113744 416151967 /nfs/dbraw/zinc/15/19/67/416151967.db2.gz HLLUHKBBOZUXFA-STQMWFEESA-N 0 0 315.414 0.357 10 30 DCEERN 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C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C1CCC1 ZINC000584172130 416505296 /nfs/dbraw/zinc/50/52/96/416505296.db2.gz ZVHRALQFNFXCHT-KKUMJFAQSA-N 0 0 322.405 0.721 10 30 DCEERN C=C[C@](C)(O)CC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598546656 416603726 /nfs/dbraw/zinc/60/37/26/416603726.db2.gz MJQHVCMKBRWKPL-HNNXBMFYSA-N 0 0 309.366 1.490 10 30 DCEERN C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(C)C2)cc1 ZINC000538646564 416570560 /nfs/dbraw/zinc/57/05/60/416570560.db2.gz RDSJWOSEQTUGFY-UHFFFAOYSA-N 0 0 323.374 0.023 10 30 DCEERN C=CCC[C@@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597069858 416590701 /nfs/dbraw/zinc/59/07/01/416590701.db2.gz CWJZGOIBNACWCC-NSHDSACASA-N 0 0 324.381 1.240 10 30 DCEERN N#Cc1cnccc1NCCCN1CCN(c2ncccn2)CC1 ZINC000545239863 416669396 /nfs/dbraw/zinc/66/93/96/416669396.db2.gz HRMXJWCVJFNOAB-UHFFFAOYSA-N 0 0 323.404 0.789 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000614678296 416693106 /nfs/dbraw/zinc/69/31/06/416693106.db2.gz 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C=CCCCCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000568241308 417108958 /nfs/dbraw/zinc/10/89/58/417108958.db2.gz HYPLNYYUACFCIT-KGLIPLIRSA-N 0 0 312.410 0.847 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000632542381 417151636 /nfs/dbraw/zinc/15/16/36/417151636.db2.gz XNRKCIFSWOWIRM-CQSZACIVSA-N 0 0 323.437 0.638 10 30 DCEERN C=CCOC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)C(=O)OC ZINC000451380572 417339433 /nfs/dbraw/zinc/33/94/33/417339433.db2.gz DPMCUBAZWMTFFK-AVGNSLFASA-N 0 0 315.366 0.288 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnc(OC)c(OC)c1 ZINC000627470673 417427849 /nfs/dbraw/zinc/42/78/49/417427849.db2.gz WXEACYLDFJNHGL-VIFPVBQESA-N 0 0 309.322 0.091 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(CCOC)nn2C)C1 ZINC000627734652 417493394 /nfs/dbraw/zinc/49/33/94/417493394.db2.gz ZBMKTLAGWRAWGD-GFCCVEGCSA-N 0 0 320.393 0.972 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(COC)n2)C1 ZINC000627733316 417493881 /nfs/dbraw/zinc/49/38/81/417493881.db2.gz 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C[C@H](C(=O)NC[C@H](CO)Cc1ccco1)n1cnc(C#N)n1 ZINC000545259178 287991113 /nfs/dbraw/zinc/99/11/13/287991113.db2.gz MCKNLCNNIXHXJP-GHMZBOCLSA-N 0 0 303.322 0.271 10 30 DCEERN CCN(CCCNC(=O)c1ccnc(C#N)c1)S(C)(=O)=O ZINC000192816426 279184164 /nfs/dbraw/zinc/18/41/64/279184164.db2.gz FWQBDXCKCASYFY-UHFFFAOYSA-N 0 0 310.379 0.355 10 30 DCEERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000042747742 300057111 /nfs/dbraw/zinc/05/71/11/300057111.db2.gz YMBUZDUKZBTRHF-JQWIXIFHSA-N 0 0 307.375 0.833 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCSC2)CC1 ZINC000570704760 332804039 /nfs/dbraw/zinc/80/40/39/332804039.db2.gz QIHCOKDPKAIONK-ZDUSSCGKSA-N 0 0 311.451 0.576 10 30 DCEERN CC#CCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000517735398 331461042 /nfs/dbraw/zinc/46/10/42/331461042.db2.gz LUEZBBFPZDURGX-LBPRGKRZSA-N 0 0 322.386 0.934 10 30 DCEERN C#Cc1ccc(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000298108042 331635611 /nfs/dbraw/zinc/63/56/11/331635611.db2.gz XCTFRCVYBLSXHT-GFCCVEGCSA-N 0 0 300.318 0.097 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000185867251 331635705 /nfs/dbraw/zinc/63/57/05/331635705.db2.gz DRPLHDKEPSHKBG-JTQLQIEISA-N 0 0 318.420 0.470 10 30 DCEERN CC[C@H](CO)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000085600959 332013497 /nfs/dbraw/zinc/01/34/97/332013497.db2.gz VEAIXNYVFHGKNH-CYBMUJFWSA-N 0 0 320.397 0.717 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCCCCO)cc2C1=O ZINC000427833042 332531749 /nfs/dbraw/zinc/53/17/49/332531749.db2.gz VFUQDFUDMARZIL-UHFFFAOYSA-N 0 0 302.330 0.971 10 30 DCEERN C=CCCCS(=O)(=O)N[C@H](C[NH+]1CCCCC1)C(=O)[O-] ZINC000569996453 332701143 /nfs/dbraw/zinc/70/11/43/332701143.db2.gz MVIGLQNPZYSXNU-GFCCVEGCSA-N 0 0 304.412 0.811 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000294168432 335118877 /nfs/dbraw/zinc/11/88/77/335118877.db2.gz VQCISZZBKJUBSM-YLQAJVPDSA-N 0 0 321.373 0.923 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000330865398 334816542 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322.390 0.409 10 30 DCEERN C=C(C)COCCNCc1nccn1S(=O)(=O)N(C)C ZINC000356104298 526653926 /nfs/dbraw/zinc/65/39/26/526653926.db2.gz GVHBAIRXKFOPSN-UHFFFAOYSA-N 0 0 302.400 0.220 10 30 DCEERN C#CCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000376351250 526719556 /nfs/dbraw/zinc/71/95/56/526719556.db2.gz MVCZJWZXNUEAOQ-GXTWGEPZSA-N 0 0 315.391 0.241 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CC)C(=O)N1CCOCC1 ZINC000362754366 526764412 /nfs/dbraw/zinc/76/44/12/526764412.db2.gz YROAQHGVASNKHH-MJBXVCDLSA-N 0 0 310.394 0.721 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000374662957 526772187 /nfs/dbraw/zinc/77/21/87/526772187.db2.gz LCSKDTZKUGQFFL-UHFFFAOYSA-N 0 0 315.333 0.729 10 30 DCEERN C=CCOCCNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000371638788 526780447 /nfs/dbraw/zinc/78/04/47/526780447.db2.gz UZAKHBCDNLOZAE-LLVKDONJSA-N 0 0 309.366 0.558 10 30 DCEERN C=CCOC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)OC ZINC000360616244 526793070 /nfs/dbraw/zinc/79/30/70/526793070.db2.gz 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Cc1cc(C#N)nc(NCc2cccc(CS(N)(=O)=O)c2)n1 ZINC000587802881 416521748 /nfs/dbraw/zinc/52/17/48/416521748.db2.gz CKKRVKZDAZZFMC-UHFFFAOYSA-N 0 0 317.374 1.057 10 30 DCEERN C=CCCn1cc(CN(C)CCCc2[nH]nc(N)c2C#N)nn1 ZINC000593968991 416550604 /nfs/dbraw/zinc/55/06/04/416550604.db2.gz VDEMRZVQBFVELN-UHFFFAOYSA-N 0 0 314.397 1.096 10 30 DCEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000487774886 416557175 /nfs/dbraw/zinc/55/71/75/416557175.db2.gz XJGQJFOXMUKPBJ-MRVPVSSYSA-N 0 0 320.301 0.831 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(CC)C1=O ZINC000584049640 416494748 /nfs/dbraw/zinc/49/47/48/416494748.db2.gz ATLWWOIDXHIQRQ-ZIBATOQPSA-N 0 0 309.366 0.414 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000597459920 416594382 /nfs/dbraw/zinc/59/43/82/416594382.db2.gz JLSJDWGSQDYRNW-ZDUSSCGKSA-N 0 0 303.366 1.515 10 30 DCEERN CC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1CCCC1=O ZINC000362889675 416573449 /nfs/dbraw/zinc/57/34/49/416573449.db2.gz 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315.373 0.674 10 30 DCEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](O)C(F)F ZINC000357405508 526375207 /nfs/dbraw/zinc/37/52/07/526375207.db2.gz CQVXVMXVYRGBQG-OQPBUACISA-N 0 0 306.309 0.990 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)COC)cc2C1=O ZINC000357709241 526411472 /nfs/dbraw/zinc/41/14/72/526411472.db2.gz FXDCAWXYNKHVPU-NSHDSACASA-N 0 0 318.329 0.206 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1=O ZINC000281334924 526498425 /nfs/dbraw/zinc/49/84/25/526498425.db2.gz LABLQGVKRFCJQK-ZDUSSCGKSA-N 0 0 313.361 0.827 10 30 DCEERN C=CCNC(=O)CNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000347896578 526543375 /nfs/dbraw/zinc/54/33/75/526543375.db2.gz VJVVONDCWSZSIP-UHFFFAOYSA-N 0 0 321.337 0.084 10 30 DCEERN C=CCNC(=O)CNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000364307266 526559878 /nfs/dbraw/zinc/55/98/78/526559878.db2.gz JPDVOGZPMXSNIY-ZDUSSCGKSA-N 0 0 319.409 0.923 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC(c2nccc(C)n2)CC1 ZINC000371823146 526588706 /nfs/dbraw/zinc/58/87/06/526588706.db2.gz 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N#C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1 ZINC000820349069 671193912 /nfs/dbraw/zinc/19/39/12/671193912.db2.gz DICJUUXSIFXCSJ-MCIONIFRSA-N 0 0 311.341 0.805 10 30 DCEERN C#CCSCCNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000121477677 671840535 /nfs/dbraw/zinc/84/05/35/671840535.db2.gz JCKKPCBBZQLBQH-UHFFFAOYSA-N 0 0 321.450 0.614 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000718192989 685304451 /nfs/dbraw/zinc/30/44/51/685304451.db2.gz IMLLBYGNANSYLJ-SECBINFHSA-N 0 0 300.311 0.057 10 30 DCEERN C#C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000718201763 685304754 /nfs/dbraw/zinc/30/47/54/685304754.db2.gz OIVQASJJMJDLIZ-VIFPVBQESA-N 0 0 301.751 0.467 10 30 DCEERN C#CCCCS(=O)(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000720406012 685313703 /nfs/dbraw/zinc/31/37/03/685313703.db2.gz VATQHXGUIHMSKR-QWHCGFSZSA-N 0 0 302.465 0.899 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N(Cc2ncc3c(n2)CCOC3)C1=O ZINC000348362207 1158883916 /nfs/dbraw/zinc/88/39/16/1158883916.db2.gz LRRRKPXOEYGOEW-LBPRGKRZSA-N 0 0 318.333 0.172 10 30 DCEERN COCCN(CC#N)C(=O)c1cnn(C)c1Br ZINC000316559024 1190415116 /nfs/dbraw/zinc/41/51/16/1190415116.db2.gz FNYMWQQVQIAESS-UHFFFAOYSA-N 0 0 301.144 0.795 10 30 DCEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1cccnc1F ZINC000401792017 774066402 /nfs/dbraw/zinc/06/64/02/774066402.db2.gz ODXZZBJUZKAHNB-UHFFFAOYSA-N 0 0 302.327 0.961 10 30 DCEERN C=CCn1cc(CNC(=O)NCc2noc(C3CC3)n2)nn1 ZINC000425490089 334926486 /nfs/dbraw/zinc/92/64/86/334926486.db2.gz MHLCHHODCIPXGM-UHFFFAOYSA-N 0 0 303.326 0.724 10 30 DCEERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000180417769 529510618 /nfs/dbraw/zinc/51/06/18/529510618.db2.gz HSYLGKXOPKCULJ-LBPRGKRZSA-N 0 0 301.412 0.008 10 30 DCEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000408098413 529634092 /nfs/dbraw/zinc/63/40/92/529634092.db2.gz QPBKOSZYVIORNB-QJPTWQEYSA-N 0 0 311.407 0.685 10 30 DCEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCS1(=O)=O ZINC000172350523 198084824 /nfs/dbraw/zinc/08/48/24/198084824.db2.gz QQVKWROZBHZEPI-NSHDSACASA-N 0 0 307.375 0.887 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000287472330 219546993 /nfs/dbraw/zinc/54/69/93/219546993.db2.gz WYAQUBKFISFISF-ZCFIWIBFSA-N 0 0 306.800 0.796 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)N(CCC#N)CC2CC2)C[C@@H](C)O1 ZINC000078697232 191913428 /nfs/dbraw/zinc/91/34/28/191913428.db2.gz MYJHHWOIQAJSAN-VXGBXAGGSA-N 0 0 301.412 0.966 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1Cl ZINC000126391731 283185194 /nfs/dbraw/zinc/18/51/94/283185194.db2.gz OWAHWXNMXDFHLI-UHFFFAOYSA-N 0 0 313.766 0.722 10 30 DCEERN N#Cc1ccc(CN(C(=O)C[C@@H]2NC(=O)NC2=O)C2CC2)cc1 ZINC000179451144 199038010 /nfs/dbraw/zinc/03/80/10/199038010.db2.gz BCDNIPSZYIRDIP-ZDUSSCGKSA-N 0 0 312.329 0.647 10 30 DCEERN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C2CC2)cn1 ZINC000186673873 237321443 /nfs/dbraw/zinc/32/14/43/237321443.db2.gz NQIXOZWMURCNEZ-LLVKDONJSA-N 0 0 308.363 0.364 10 30 DCEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CCO)[C@H](C)C1 ZINC000187651554 200139866 /nfs/dbraw/zinc/13/98/66/200139866.db2.gz WYWUWWXQPTYVQT-KGLIPLIRSA-N 0 0 316.405 0.884 10 30 DCEERN Cc1cc(N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)n[nH]1 ZINC000187151582 237341305 /nfs/dbraw/zinc/34/13/05/237341305.db2.gz UDDAPHMZEXEEJN-MRXNPFEDSA-N 0 0 316.409 0.649 10 30 DCEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CCO)[C@@H](C)C1 ZINC000187718902 200148443 /nfs/dbraw/zinc/14/84/43/200148443.db2.gz GJEKVMLQGBUZDC-KBPBESRZSA-N 0 0 316.405 0.884 10 30 DCEERN O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)NC(=O)NC1CC1 ZINC000329195323 238598372 /nfs/dbraw/zinc/59/83/72/238598372.db2.gz UDPFNYSMFCJJSB-WCBMZHEXSA-N 0 0 301.368 0.138 10 30 DCEERN COC[C@H](NC(=O)NCC(=O)NCC#N)c1ccc(F)cc1 ZINC000358273704 239039639 /nfs/dbraw/zinc/03/96/39/239039639.db2.gz KJLCADCLVXGAFJ-LBPRGKRZSA-N 0 0 308.313 0.452 10 30 DCEERN C[C@H](C#N)NC(=O)CN(CC(=O)N[C@@H](C)C#N)c1ccccc1 ZINC000362734046 239104538 /nfs/dbraw/zinc/10/45/38/239104538.db2.gz LRXUIIZKGUVKSN-BETUJISGSA-N 0 0 313.361 0.550 10 30 DCEERN Cn1cc(CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 ZINC000369229177 239165024 /nfs/dbraw/zinc/16/50/24/239165024.db2.gz DOCPKFCLKVZRDU-HNNXBMFYSA-N 0 0 316.409 0.734 10 30 DCEERN C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cn1cccn1 ZINC000369228849 239165224 /nfs/dbraw/zinc/16/52/24/239165224.db2.gz HAHAFTRJZRGRJJ-HIFRSBDPSA-N 0 0 316.409 0.901 10 30 DCEERN N#C[C@H]1CN(C(=O)C(=O)Nc2cncc(F)c2)CCN1C1CC1 ZINC000370700523 239177179 /nfs/dbraw/zinc/17/71/79/239177179.db2.gz SQZQPQXCOURIJZ-ZDUSSCGKSA-N 0 0 317.324 0.358 10 30 DCEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2CCO)CCN1C1CC1 ZINC000376053142 239224561 /nfs/dbraw/zinc/22/45/61/239224561.db2.gz COEFDIFLRSRUNG-YUELXQCFSA-N 0 0 306.410 0.919 10 30 DCEERN N#CCOc1ccccc1C(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376438489 239230893 /nfs/dbraw/zinc/23/08/93/239230893.db2.gz YWUAWNQNCYKXJN-SMDDNHRTSA-N 0 0 320.370 0.848 10 30 DCEERN Cc1nc2cncc(N3CCN(C(=O)C(C)(C)C#N)CC3)n2n1 ZINC000408404171 239268272 /nfs/dbraw/zinc/26/82/72/239268272.db2.gz 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/nfs/dbraw/zinc/59/69/92/252596992.db2.gz NGOOZBHMDILWLD-UHFFFAOYSA-N 0 0 304.350 0.715 10 30 DCEERN CNc1cc(N2CCC[C@@H]2CNC(=O)CSCC#N)ncn1 ZINC000173410451 533048800 /nfs/dbraw/zinc/04/88/00/533048800.db2.gz KDQVRSHNARRSPA-LLVKDONJSA-N 0 0 320.422 0.860 10 30 DCEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)N(C)CCC#N ZINC000408257380 533089223 /nfs/dbraw/zinc/08/92/23/533089223.db2.gz SHMSMNROMRWXLR-SRVKXCTJSA-N 0 0 315.395 0.350 10 30 DCEERN C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)S(N)(=O)=O ZINC000350618092 254319262 /nfs/dbraw/zinc/31/92/62/254319262.db2.gz BWFSZIOIVWERHT-ZCFIWIBFSA-N 0 0 303.290 0.243 10 30 DCEERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCc2cncnc2C1 ZINC000329103402 533170709 /nfs/dbraw/zinc/17/07/09/533170709.db2.gz CDKYHDQTOCJDLB-NSHDSACASA-N 0 0 317.393 0.801 10 30 DCEERN COc1c2cnn(C)c2ncc1C(=O)N1CCOC[C@@H]1C#N ZINC000408180116 533452008 /nfs/dbraw/zinc/45/20/08/533452008.db2.gz MRIYRAFHECQWKE-VIFPVBQESA-N 0 0 301.306 0.341 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000375690772 533399285 /nfs/dbraw/zinc/39/92/85/533399285.db2.gz ICPSETCVIAAEJS-KXNHARMFSA-N 0 0 314.411 0.064 10 30 DCEERN C#CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000091480367 395725167 /nfs/dbraw/zinc/72/51/67/395725167.db2.gz ATWMVAMJGSPYEE-UHFFFAOYSA-N 0 0 302.334 0.839 10 30 DCEERN COC(=O)[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000092013371 395728173 /nfs/dbraw/zinc/72/81/73/395728173.db2.gz WTPJHTNSGSEGOY-RISCZKNCSA-N 0 0 314.345 0.968 10 30 DCEERN C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)ON1C(=O)CCC1=O ZINC000101150975 395764127 /nfs/dbraw/zinc/76/41/27/395764127.db2.gz YDSINCVWMDUPSG-VHSXEESVSA-N 0 0 311.338 0.614 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000273407915 395919199 /nfs/dbraw/zinc/91/91/99/395919199.db2.gz IEDPDTDUERWDDC-MRVPVSSYSA-N 0 0 305.377 0.750 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000273407917 395919215 /nfs/dbraw/zinc/91/92/15/395919215.db2.gz IEDPDTDUERWDDC-QMMMGPOBSA-N 0 0 305.377 0.750 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(F)c1C(=O)OC ZINC000273423857 395920861 /nfs/dbraw/zinc/92/08/61/395920861.db2.gz NIBOXFGTGVNCQT-VIFPVBQESA-N 0 0 324.308 0.604 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000273450609 395922647 /nfs/dbraw/zinc/92/26/47/395922647.db2.gz FUEKAOSYBYBQQL-LBPRGKRZSA-N 0 0 312.391 0.604 10 30 DCEERN CCCN(C)S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000119460276 395871602 /nfs/dbraw/zinc/87/16/02/395871602.db2.gz UDEPJUKFAFRQEQ-UHFFFAOYSA-N 0 0 323.422 0.662 10 30 DCEERN CS(=O)(=O)O[C@H]1[C@H](O)C=CO[C@@H]1CO[C@H]1CCCCO1 ZINC000146883550 395965702 /nfs/dbraw/zinc/96/57/02/395965702.db2.gz ZEJGRKQBQSYMEI-WYUUTHIRSA-N 0 0 308.352 0.148 10 30 DCEERN N#Cc1ccc(C(=O)N2CCCOCCNC(=O)CC2)cc1 ZINC000257192054 396035120 /nfs/dbraw/zinc/03/51/20/396035120.db2.gz QFZYXZRPMDWVLS-UHFFFAOYSA-N 0 0 301.346 0.927 10 30 DCEERN C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCS1(=O)=O ZINC000155383137 396050982 /nfs/dbraw/zinc/05/09/82/396050982.db2.gz KOIXAQAQHGWYLN-OCCSQVGLSA-N 0 0 324.402 0.417 10 30 DCEERN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](O)C[C@@H]1CO ZINC000249359006 396006482 /nfs/dbraw/zinc/00/64/82/396006482.db2.gz SCNSLWDVMCNWFP-WQAKAFBOSA-N 0 0 323.780 0.966 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)OC)CC1 ZINC000074789082 396172261 /nfs/dbraw/zinc/17/22/61/396172261.db2.gz ZIOBVGNVHBNKMZ-UHFFFAOYSA-N 0 0 312.414 0.041 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177628441 396180517 /nfs/dbraw/zinc/18/05/17/396180517.db2.gz ZGZJUYPXHJINEG-GFCCVEGCSA-N 0 0 324.344 0.528 10 30 DCEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO ZINC000177787223 396183707 /nfs/dbraw/zinc/18/37/07/396183707.db2.gz VIAWHWSYBDUXBE-GHMZBOCLSA-N 0 0 322.336 0.909 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000183183811 396264999 /nfs/dbraw/zinc/26/49/99/396264999.db2.gz YAJBUTQBMIGAJT-LBPRGKRZSA-N 0 0 314.345 0.864 10 30 DCEERN CCCC(=O)NCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184276985 396289511 /nfs/dbraw/zinc/28/95/11/396289511.db2.gz UPGWRNZQQIFYPO-UHFFFAOYSA-N 0 0 312.333 0.994 10 30 DCEERN COc1cc(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)ncn1 ZINC000184582755 396299228 /nfs/dbraw/zinc/29/92/28/396299228.db2.gz MIYTZNLTWZAINM-NSHDSACASA-N 0 0 304.354 0.476 10 30 DCEERN N#Cc1ccsc1N1CC[C@H](N2C[C@H](O)C[C@@H]2CO)C1=O ZINC000184726972 396303395 /nfs/dbraw/zinc/30/33/95/396303395.db2.gz AKOJLWYMUULZFA-UTUOFQBUSA-N 0 0 307.375 0.153 10 30 DCEERN CCN1C(=O)N=NC1S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000191044454 396414707 /nfs/dbraw/zinc/41/47/07/396414707.db2.gz AWQHYAGFJCDUBF-UHFFFAOYSA-N 0 0 310.310 0.988 10 30 DCEERN CC(=O)NC1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000191730665 396424188 /nfs/dbraw/zinc/42/41/88/396424188.db2.gz QJHBBNXFUWSTHP-UHFFFAOYSA-N 0 0 307.375 0.152 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCn1ccnc1 ZINC000515348498 396503604 /nfs/dbraw/zinc/50/36/04/396503604.db2.gz AJWUNAPGYOXSQX-KBPBESRZSA-N 0 0 320.393 0.487 10 30 DCEERN Cn1cc(N2CC[C@H](NC(=O)c3ccnc(C#N)c3)C2=O)cn1 ZINC000193295057 396448060 /nfs/dbraw/zinc/44/80/60/396448060.db2.gz RQJVXXQANAHQTK-ZDUSSCGKSA-N 0 0 310.317 0.222 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCn1c(C)cc(O)cc1=O ZINC000581007058 396518109 /nfs/dbraw/zinc/51/81/09/396518109.db2.gz DLKRNDGMBCAJMV-JSGCOSHPSA-N 0 0 306.362 0.960 10 30 DCEERN CC(=O)N1CCN(C(=O)CSc2ccncc2C#N)CC1 ZINC000594910562 396539286 /nfs/dbraw/zinc/53/92/86/396539286.db2.gz QKFNXFGBNFSUEY-UHFFFAOYSA-N 0 0 304.375 0.736 10 30 DCEERN C=CCCSCCNC(=O)C(=O)Nc1cn(C)nc1OC ZINC000595117433 396551533 /nfs/dbraw/zinc/55/15/33/396551533.db2.gz NKDKAJRNXCFZAS-UHFFFAOYSA-N 0 0 312.395 0.793 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000595187555 396562419 /nfs/dbraw/zinc/56/24/19/396562419.db2.gz WEZYRRMYZLWTJO-VXGBXAGGSA-N 0 0 316.423 0.020 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)c(F)c1 ZINC000585681619 396648621 /nfs/dbraw/zinc/64/86/21/396648621.db2.gz 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/nfs/dbraw/zinc/67/08/71/396670871.db2.gz CIABNONWDATGMB-UHFFFAOYSA-N 0 0 300.366 0.995 10 30 DCEERN C=C(C)Cn1c(COCC)nnc1N1CCO[C@H](CC(N)=O)C1 ZINC000624969215 396735446 /nfs/dbraw/zinc/73/54/46/396735446.db2.gz FBMUJTREWKJSAK-GFCCVEGCSA-N 0 0 323.397 0.471 10 30 DCEERN C=CCn1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)nn1 ZINC000617523298 396746090 /nfs/dbraw/zinc/74/60/90/396746090.db2.gz STLXOLKCOZEOMO-SGMGOOAPSA-N 0 0 308.382 0.760 10 30 DCEERN CC(=O)N1CC[C@H](CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000590374860 396763329 /nfs/dbraw/zinc/76/33/29/396763329.db2.gz XHWYVTOFLKXIOZ-CQSZACIVSA-N 0 0 300.362 0.955 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)CCO1 ZINC000611128976 396821607 /nfs/dbraw/zinc/82/16/07/396821607.db2.gz LZIWKKJNIRRMAY-CYBMUJFWSA-N 0 0 301.350 0.830 10 30 DCEERN N#Cc1cccc(CC(=O)N(CCO)CCN2CCOCC2)c1 ZINC000611136654 396821962 /nfs/dbraw/zinc/82/19/62/396821962.db2.gz IBZHVZVQAWUBAG-UHFFFAOYSA-N 0 0 317.389 0.254 10 30 DCEERN Cc1nnc2n1CCN(C1CN(C(=O)NCc3ccoc3)C1)C2 ZINC000328629093 396827311 /nfs/dbraw/zinc/82/73/11/396827311.db2.gz HXVMFZJDVZPTDE-UHFFFAOYSA-N 0 0 316.365 0.794 10 30 DCEERN C=CCN(CC1CCCCC1)C(=O)CNS(=O)(=O)NC ZINC000331317943 396868657 /nfs/dbraw/zinc/86/86/57/396868657.db2.gz JUZDAWSOPBHUBL-UHFFFAOYSA-N 0 0 303.428 0.635 10 30 DCEERN [O-]C(N[C@H]1CCc2c[nH]nc2C1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329097476 396838984 /nfs/dbraw/zinc/83/89/84/396838984.db2.gz YNAVCBZUDHYMSM-WCFLWFBJSA-N 0 0 317.353 0.002 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCc1ccc(C)o1 ZINC000564562267 396844103 /nfs/dbraw/zinc/84/41/03/396844103.db2.gz BXELPAKOKHSVEP-JSGCOSHPSA-N 0 0 306.362 0.954 10 30 DCEERN C=CCOCCNS(=O)(=O)c1csnc1C(=O)OC ZINC000611542107 396884653 /nfs/dbraw/zinc/88/46/53/396884653.db2.gz OIZKGLCEMYXSKW-UHFFFAOYSA-N 0 0 306.365 0.411 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000625492745 396894303 /nfs/dbraw/zinc/89/43/03/396894303.db2.gz SZLQGWIBNDCNBG-LLVKDONJSA-N 0 0 318.439 0.596 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000625577852 396932396 /nfs/dbraw/zinc/93/23/96/396932396.db2.gz MSEIIOPOZZFJGL-GFCCVEGCSA-N 0 0 302.346 0.234 10 30 DCEERN C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCO[C@H](C#N)C1 ZINC000597311687 396938104 /nfs/dbraw/zinc/93/81/04/396938104.db2.gz ZZOXOBCRXADIPL-LLVKDONJSA-N 0 0 314.353 0.378 10 30 DCEERN COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000591663702 396968187 /nfs/dbraw/zinc/96/81/87/396968187.db2.gz QOHWNQSPVPUSLO-HNNXBMFYSA-N 0 0 305.309 0.804 10 30 DCEERN C=CCOCCCNC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000618523432 396988460 /nfs/dbraw/zinc/98/84/60/396988460.db2.gz HOUVRVOGGRIPJD-UHFFFAOYSA-N 0 0 318.420 0.979 10 30 DCEERN C=CCOCCCNC(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000618526141 396988698 /nfs/dbraw/zinc/98/86/98/396988698.db2.gz MHZKHVZQDVXGGY-UHFFFAOYSA-N 0 0 302.352 0.558 10 30 DCEERN C=CCOCCCNC(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000618524927 396988822 /nfs/dbraw/zinc/98/88/22/396988822.db2.gz WDILBMLVBLULDO-UHFFFAOYSA-N 0 0 306.326 0.340 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1c[nH]c(C(=O)OCC)n1 ZINC000597566455 397016018 /nfs/dbraw/zinc/01/60/18/397016018.db2.gz XXZFYSOLTUGXLT-JTQLQIEISA-N 0 0 308.338 0.996 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1c[nH]c(C(=O)OCC)n1 ZINC000597566456 397016553 /nfs/dbraw/zinc/01/65/53/397016553.db2.gz XXZFYSOLTUGXLT-SNVBAGLBSA-N 0 0 308.338 0.996 10 30 DCEERN C=C1CC(C)(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000630538953 397040788 /nfs/dbraw/zinc/04/07/88/397040788.db2.gz SKKLXBLFTASZMY-CYBMUJFWSA-N 0 0 312.435 0.674 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC000612395213 397043741 /nfs/dbraw/zinc/04/37/41/397043741.db2.gz DETNDRXEGURKIM-CHWSQXEVSA-N 0 0 310.398 0.377 10 30 DCEERN C=CCSCCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000601322005 397054527 /nfs/dbraw/zinc/05/45/27/397054527.db2.gz WTTFSHDYMIUPFX-LLVKDONJSA-N 0 0 304.437 0.588 10 30 DCEERN C=CCCSCCNC(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000597970276 397142483 /nfs/dbraw/zinc/14/24/83/397142483.db2.gz MTYLCPYJFXFJOL-UHFFFAOYSA-N 0 0 315.420 0.919 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(CCCN(C)S(C)(=O)=O)C1=O ZINC000630967262 397148299 /nfs/dbraw/zinc/14/82/99/397148299.db2.gz JCDHQPWTOQGKDT-SNVBAGLBSA-N 0 0 303.384 0.155 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000612838532 397148724 /nfs/dbraw/zinc/14/87/24/397148724.db2.gz YCGKKCROKXQVJM-LSDHHAIUSA-N 0 0 319.409 0.988 10 30 DCEERN Cc1nn(C)c2ncc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc12 ZINC000619585261 397153232 /nfs/dbraw/zinc/15/32/32/397153232.db2.gz YZRCNGGQBLFMMJ-VIFPVBQESA-N 0 0 310.321 0.940 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1ccnn1COC)C(=O)OC ZINC000601501848 397154788 /nfs/dbraw/zinc/15/47/88/397154788.db2.gz HTCFXEIWJHWXOQ-JTQLQIEISA-N 0 0 317.367 0.273 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)OC ZINC000601502903 397156208 /nfs/dbraw/zinc/15/62/08/397156208.db2.gz WBSSARRJDPJYJE-NWDGAFQWSA-N 0 0 305.396 0.983 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)OC ZINC000601542926 397173727 /nfs/dbraw/zinc/17/37/27/397173727.db2.gz NHAHOCHJNXMPDS-MRVPVSSYSA-N 0 0 321.255 0.903 10 30 DCEERN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCN1S(C)(=O)=O ZINC000598222241 397190166 /nfs/dbraw/zinc/19/01/66/397190166.db2.gz XJTPWONDIGDKOK-LLVKDONJSA-N 0 0 307.375 0.664 10 30 DCEERN CCN1CC[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O ZINC000619825624 397198079 /nfs/dbraw/zinc/19/80/79/397198079.db2.gz UYIZDWZCUXWWCO-ZDUSSCGKSA-N 0 0 314.345 0.025 10 30 DCEERN C=C[C@@](C)(O)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000613133078 397199653 /nfs/dbraw/zinc/19/96/53/397199653.db2.gz VMBAPVXGUNVAQA-BDJLRTHQSA-N 0 0 301.346 0.838 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](O)C2)c(F)c1 ZINC000619878795 397202384 /nfs/dbraw/zinc/20/23/84/397202384.db2.gz CDYOOZLAPDQUPM-LBPRGKRZSA-N 0 0 305.309 0.297 10 30 DCEERN C=CCCn1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)OC)nn1 ZINC000601727230 397221999 /nfs/dbraw/zinc/22/19/99/397221999.db2.gz LUBYVMGUFJTASE-NHYWBVRUSA-N 0 0 322.365 0.647 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1nnc(C2CC2)n1C ZINC000613285059 397237764 /nfs/dbraw/zinc/23/77/64/397237764.db2.gz ILJXRLKDTSIHKE-GFCCVEGCSA-N 0 0 305.382 0.780 10 30 DCEERN C=C[C@H](CO)NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000620591182 397288183 /nfs/dbraw/zinc/28/81/83/397288183.db2.gz NCDWDZDNZYSFKN-KGLIPLIRSA-N 0 0 303.362 0.806 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(CCC)C(=O)C1 ZINC000613879474 397341389 /nfs/dbraw/zinc/34/13/89/397341389.db2.gz CTCCKMNRXFENHF-CQSZACIVSA-N 0 0 309.410 0.928 10 30 DCEERN CNS(=O)(=O)CCCN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000408453313 397357519 /nfs/dbraw/zinc/35/75/19/397357519.db2.gz SXMPIZBCOVIWGC-ZIAGYGMSSA-N 0 0 315.439 0.853 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000602267552 397358212 /nfs/dbraw/zinc/35/82/12/397358212.db2.gz YOMVYGTUPFFPNJ-PRWKNARSSA-N 0 0 302.440 0.978 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@@](C)(C(=O)OCC)C1 ZINC000602318811 397370506 /nfs/dbraw/zinc/37/05/06/397370506.db2.gz 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CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(C#N)CCCC1 ZINC000488159199 416555711 /nfs/dbraw/zinc/55/57/11/416555711.db2.gz GIGPRFVIKCEUAG-MNOVXSKESA-N 0 0 309.366 0.643 10 30 DCEERN C=CCN(CCC#N)C(=O)C(=O)Nc1cncc(OC(C)C)n1 ZINC000594306306 416557836 /nfs/dbraw/zinc/55/78/36/416557836.db2.gz RVTRCKDSRZOLDR-UHFFFAOYSA-N 0 0 317.349 1.131 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000438263363 416596341 /nfs/dbraw/zinc/59/63/41/416596341.db2.gz UXGWZTMWTMBHJZ-UHFFFAOYSA-N 0 0 318.402 0.680 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366979036 416639087 /nfs/dbraw/zinc/63/90/87/416639087.db2.gz AETRCDZXCORLKR-NSHDSACASA-N 0 0 318.381 0.250 10 30 DCEERN CCc1n[nH]cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000611406015 416662822 /nfs/dbraw/zinc/66/28/22/416662822.db2.gz YGKCAQGMDZYOQK-UHFFFAOYSA-N 0 0 301.354 0.854 10 30 DCEERN C[C@H](C(=O)N1CC(=O)N(C)[C@@H]1c1ccccc1)n1cnc(C#N)n1 ZINC000545240292 416669714 /nfs/dbraw/zinc/66/97/14/416669714.db2.gz 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C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000425877164 534587913 /nfs/dbraw/zinc/58/79/13/534587913.db2.gz WMAFOVFONYCEPV-AGIUHOORSA-N 0 0 306.366 0.095 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCC(F)(F)CO)cc2C1=O ZINC000344938409 526409555 /nfs/dbraw/zinc/40/95/55/526409555.db2.gz JPVAANSSUWWVQJ-UHFFFAOYSA-N 0 0 324.283 0.826 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CCO)cc2C1=O ZINC000121228570 526411342 /nfs/dbraw/zinc/41/13/42/526411342.db2.gz VQKHCAGLPNFHSX-JTQLQIEISA-N 0 0 302.330 0.969 10 30 DCEERN CC(C)(C)OC(=O)NCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377670142 526438205 /nfs/dbraw/zinc/43/82/05/526438205.db2.gz JMDXINYBSBJAOW-GFCCVEGCSA-N 0 0 308.382 0.710 10 30 DCEERN C=CCN1CC[C@H](N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)C1=O ZINC000281352441 526511596 /nfs/dbraw/zinc/51/15/96/526511596.db2.gz NFKAXAYSIINRJO-RWMBFGLXSA-N 0 0 306.366 0.927 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N2CCSCC2)CC1 ZINC000351713637 526532383 /nfs/dbraw/zinc/53/23/83/526532383.db2.gz 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/nfs/dbraw/zinc/77/73/87/526777387.db2.gz IHGBKRYUWRVILG-UHFFFAOYSA-N 0 0 305.382 0.819 10 30 DCEERN C=CCOC[C@H](NC(=O)[C@@H](OC)c1ccc(O)cc1)C(=O)OC ZINC000357675160 526805229 /nfs/dbraw/zinc/80/52/29/526805229.db2.gz LRAICNZKKPNYSI-KBPBESRZSA-N 0 0 323.345 0.940 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cscn1 ZINC000357863690 526844232 /nfs/dbraw/zinc/84/42/32/526844232.db2.gz HIXKFQCFMQQHJI-CMPLNLGQSA-N 0 0 309.391 0.857 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC000281314406 526845043 /nfs/dbraw/zinc/84/50/43/526845043.db2.gz IOEMJFJKSDZLAR-SWLSCSKDSA-N 0 0 303.362 0.909 10 30 DCEERN CC(C)(CC#N)CS(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000408457565 526960961 /nfs/dbraw/zinc/96/09/61/526960961.db2.gz BNLZQJXNZQUQGT-NWDGAFQWSA-N 0 0 313.423 0.999 10 30 DCEERN C#CCOCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000366737652 527062434 /nfs/dbraw/zinc/06/24/34/527062434.db2.gz DWXVKVFHCOKXQI-UHFFFAOYSA-N 0 0 315.373 0.842 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(F)c(OC)cc1F ZINC000183189641 527086136 /nfs/dbraw/zinc/08/61/36/527086136.db2.gz HIDYSHBTJUZWGZ-QMMMGPOBSA-N 0 0 314.288 0.965 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cn1c2ccccc2n(CC)c1=O ZINC000185903548 527088494 /nfs/dbraw/zinc/08/84/94/527088494.db2.gz VODZFMMMJQHBQE-LBPRGKRZSA-N 0 0 303.362 0.876 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000186657414 527102239 /nfs/dbraw/zinc/10/22/39/527102239.db2.gz ZEOKEMOIKHOVSJ-NSHDSACASA-N 0 0 310.375 0.188 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)OCC)CC1 ZINC000320597588 527102464 /nfs/dbraw/zinc/10/24/64/527102464.db2.gz BXNRLHOQWVVZNT-LBPRGKRZSA-N 0 0 320.411 0.033 10 30 DCEERN C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000287024023 527119331 /nfs/dbraw/zinc/11/93/31/527119331.db2.gz NRBWQEUGSGDUPH-CYBMUJFWSA-N 0 0 309.410 0.928 10 30 DCEERN C=CCCCCCN(C)C(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000286060883 527119931 /nfs/dbraw/zinc/11/99/31/527119931.db2.gz LUAPYGXIHUOTLU-CYBMUJFWSA-N 0 0 307.398 0.988 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000298831055 527173906 /nfs/dbraw/zinc/17/39/06/527173906.db2.gz VREBXVANDPPUJF-STQMWFEESA-N 0 0 307.394 0.681 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000410685394 527173987 /nfs/dbraw/zinc/17/39/87/527173987.db2.gz CPKARCXUBZSALZ-OAHLLOKOSA-N 0 0 323.437 0.592 10 30 DCEERN C=CCCCNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000360200344 527209228 /nfs/dbraw/zinc/20/92/28/527209228.db2.gz QRMUAMLEILHBLD-QWHCGFSZSA-N 0 0 314.382 0.006 10 30 DCEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCCCN1CCCC1=O ZINC000339529164 527256296 /nfs/dbraw/zinc/25/62/96/527256296.db2.gz WCKAGVMAZFFSIZ-CYBMUJFWSA-N 0 0 309.410 0.976 10 30 DCEERN C#C[C@H](NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C(C)C ZINC000374194665 527396956 /nfs/dbraw/zinc/39/69/56/527396956.db2.gz QBOJZTKWNWBTEH-UONOGXRCSA-N 0 0 307.394 0.723 10 30 DCEERN CC(C)(C)C(=O)NCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370975188 527585887 /nfs/dbraw/zinc/58/58/87/527585887.db2.gz 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536643204 /nfs/dbraw/zinc/64/32/04/536643204.db2.gz UCOCDQDJJHPFSN-ZDUSSCGKSA-N 0 0 309.391 0.690 10 30 DCEERN C=CCCO[C@H](C)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000074444339 545669755 /nfs/dbraw/zinc/66/97/55/545669755.db2.gz UEESBLWHNDQLDY-GFCCVEGCSA-N 0 0 304.412 0.462 10 30 DCEERN Cn1cc([C@@H]2CCN(C(=O)NCCN3C(=O)CCC3=O)C2)cn1 ZINC000329335653 546046193 /nfs/dbraw/zinc/04/61/93/546046193.db2.gz OSESIZMTCXOJGH-LLVKDONJSA-N 0 0 319.365 0.272 10 30 DCEERN C[C@H](Cn1cncn1)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000329633065 546052890 /nfs/dbraw/zinc/05/28/90/546052890.db2.gz WYUOSLVQNPSZGT-GMTAPVOTSA-N 0 0 315.399 0.088 10 30 DCEERN O=C(CNC(=O)c1ccsc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000329735127 546053514 /nfs/dbraw/zinc/05/35/14/546053514.db2.gz KSELBMOXGTZABS-CYBMUJFWSA-N 0 0 323.418 0.986 10 30 DCEERN C=C[C@](C)(CCOC)COC(=O)Cn1ccc(=O)n(C)c1=O ZINC000187559790 657991600 /nfs/dbraw/zinc/99/16/00/657991600.db2.gz YPINWSBOYDUCAS-OAHLLOKOSA-N 0 0 310.350 0.319 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@H]2C(N)=NO)C1 ZINC000250948075 665593847 /nfs/dbraw/zinc/59/38/47/665593847.db2.gz NFTSGNYPHSLCLK-RYUDHWBXSA-N 0 0 318.443 0.259 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)OCCc2ccccc2)C1=O ZINC000726043601 661389259 /nfs/dbraw/zinc/38/92/59/661389259.db2.gz WNSPDGZCKJWCSF-UHFFFAOYSA-N 0 0 316.313 0.749 10 30 DCEERN C=CCn1nnn(CN2CCO[C@@H](C(=O)OCC)C2)c1=S ZINC000741242028 664798962 /nfs/dbraw/zinc/79/89/62/664798962.db2.gz MTXWEPZWKOBVBZ-SNVBAGLBSA-N 0 0 313.383 0.216 10 30 DCEERN CC(C)CN1C[C@@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O ZINC000732650921 664950280 /nfs/dbraw/zinc/95/02/80/664950280.db2.gz MDTDCMUWQVNJOF-ZFWWWQNUSA-N 0 0 318.421 0.690 10 30 DCEERN CC(C)N1C(=O)CN(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000732666196 664951133 /nfs/dbraw/zinc/95/11/33/664951133.db2.gz LCURGLUBKRESJC-ZDUSSCGKSA-N 0 0 305.382 0.289 10 30 DCEERN Cn1c2ccccc2n(CN2CCN(C3CC3)[C@@H](C#N)C2)c1=O ZINC000732673093 664951389 /nfs/dbraw/zinc/95/13/89/664951389.db2.gz 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/nfs/dbraw/zinc/10/89/74/341108974.db2.gz YXOCFSCSQKYWMS-UHFFFAOYSA-N 0 0 320.441 0.416 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000546696704 341179230 /nfs/dbraw/zinc/17/92/30/341179230.db2.gz LLRAEDQESUUBIG-WBVHZDCISA-N 0 0 304.390 0.677 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247190014 341361977 /nfs/dbraw/zinc/36/19/77/341361977.db2.gz VHMWSYSLBJLRCP-WCQYABFASA-N 0 0 301.412 0.160 10 30 DCEERN C=CCCOCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553099999 341415990 /nfs/dbraw/zinc/41/59/90/341415990.db2.gz LBOPUMIYJKIPJE-UHFFFAOYSA-N 0 0 302.334 0.982 10 30 DCEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)CCNC(C)=O ZINC000573120100 341717657 /nfs/dbraw/zinc/71/76/57/341717657.db2.gz YYVXDPRALVRHPF-UHFFFAOYSA-N 0 0 318.385 0.140 10 30 DCEERN COc1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccn1 ZINC000377675561 533841981 /nfs/dbraw/zinc/84/19/81/533841981.db2.gz PGYBEAOCAFUJQJ-AWEZNQCLSA-N 0 0 315.377 0.972 10 30 DCEERN Cc1noc([C@@H]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)n1 ZINC000408030412 534459199 /nfs/dbraw/zinc/45/91/99/534459199.db2.gz KVMFFZOLHNJGPA-GXSJLCMTSA-N 0 0 313.383 0.646 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(O)cc1 ZINC000425860045 534586627 /nfs/dbraw/zinc/58/66/27/534586627.db2.gz GHJRNGWSLXTVKM-JSGCOSHPSA-N 0 0 304.346 0.716 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000425879347 534587976 /nfs/dbraw/zinc/58/79/76/534587976.db2.gz ZUGYPJDUUXZTLD-OSMZGAPFSA-N 0 0 320.393 0.613 10 30 DCEERN CC#CCCNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000361564964 526326838 /nfs/dbraw/zinc/32/68/38/526326838.db2.gz LFZPPMSNZBFBGY-ZDUSSCGKSA-N 0 0 317.393 0.624 10 30 DCEERN C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000154778211 526360991 /nfs/dbraw/zinc/36/09/91/526360991.db2.gz SIVZOJHDJBSFSF-LBPRGKRZSA-N 0 0 305.309 0.938 10 30 DCEERN C=CCN1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408236101 526450896 /nfs/dbraw/zinc/45/08/96/526450896.db2.gz NELSLFFKVMVMAD-OLZOCXBDSA-N 0 0 317.455 0.580 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2nnc(OC)s2)C1=O ZINC000282871860 526463489 /nfs/dbraw/zinc/46/34/89/526463489.db2.gz RDLCHOCOOFSSHR-MRVPVSSYSA-N 0 0 311.367 0.797 10 30 DCEERN C=C(C)CN(CC)C(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173657792 526522322 /nfs/dbraw/zinc/52/23/22/526522322.db2.gz OTUSKGROIDQRBK-CYBMUJFWSA-N 0 0 307.398 0.911 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000361495362 526539604 /nfs/dbraw/zinc/53/96/04/526539604.db2.gz DJEIJZXLPCIHKE-UHFFFAOYSA-N 0 0 320.441 0.453 10 30 DCEERN C=CCNC(=O)CNC(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000369854914 526551103 /nfs/dbraw/zinc/55/11/03/526551103.db2.gz BBHHOMINALRMLL-IUODEOHRSA-N 0 0 311.382 0.268 10 30 DCEERN C=CCNC(=O)CNC(=O)NCCc1cnc(C2CC2)nc1 ZINC000346829571 526553354 /nfs/dbraw/zinc/55/33/54/526553354.db2.gz GTPPAOACIZXFEA-UHFFFAOYSA-N 0 0 303.366 0.498 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000157198264 526595543 /nfs/dbraw/zinc/59/55/43/526595543.db2.gz UBQSMCRVHNFYMI-LSDHHAIUSA-N 0 0 315.373 0.955 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000249885200 526604292 /nfs/dbraw/zinc/60/42/92/526604292.db2.gz OWELWKGPAZISGX-GHMZBOCLSA-N 0 0 324.406 0.917 10 30 DCEERN C=CCNS(=O)(=O)c1cccc(C(=O)NN2CCCC2)c1 ZINC000282960167 526675512 /nfs/dbraw/zinc/67/55/12/526675512.db2.gz RIQMYVYKIYBLLT-UHFFFAOYSA-N 0 0 309.391 0.892 10 30 DCEERN C=C(C)CS(=O)(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000373745457 526680569 /nfs/dbraw/zinc/68/05/69/526680569.db2.gz PWMAQOHNUIONGK-NEPJUHHUSA-N 0 0 305.396 0.935 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000186430825 526695219 /nfs/dbraw/zinc/69/52/19/526695219.db2.gz SFGQYIWUKNCFJZ-GFCCVEGCSA-N 0 0 303.428 0.021 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000185186489 526706964 /nfs/dbraw/zinc/70/69/64/526706964.db2.gz KLALRCDNZXSMRH-AWEZNQCLSA-N 0 0 321.421 0.882 10 30 DCEERN C#CCCCS(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000366732576 526720336 /nfs/dbraw/zinc/72/03/36/526720336.db2.gz XNZILMHKYULOJL-CYBMUJFWSA-N 0 0 310.423 0.722 10 30 DCEERN C#CCCCS(=O)(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000367776138 526720356 /nfs/dbraw/zinc/72/03/56/526720356.db2.gz LCXDQKQGSSYMFR-CQSZACIVSA-N 0 0 321.402 0.910 10 30 DCEERN C#CCCNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000363410254 526738155 /nfs/dbraw/zinc/73/81/55/526738155.db2.gz CTOVQMBZPJYLPO-CYBMUJFWSA-N 0 0 314.341 0.950 10 30 DCEERN C=CCOCCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000365012435 526781856 /nfs/dbraw/zinc/78/18/56/526781856.db2.gz MWLWHELHSSBZIG-UHFFFAOYSA-N 0 0 310.375 0.453 10 30 DCEERN C#CCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000281146609 526873730 /nfs/dbraw/zinc/87/37/30/526873730.db2.gz BASPNEKOPBSMHO-NSHDSACASA-N 0 0 323.349 0.478 10 30 DCEERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365491961 526888921 /nfs/dbraw/zinc/88/89/21/526888921.db2.gz PMLRDMBKPGZPNY-JKSUJKDBSA-N 0 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/nfs/dbraw/zinc/21/13/39/527211339.db2.gz ZYPRISQLXWEVPW-MRVPVSSYSA-N 0 0 313.301 0.661 10 30 DCEERN C#C[C@@H](C)NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000186006315 527224733 /nfs/dbraw/zinc/22/47/33/527224733.db2.gz TUSIPPCGCYZPLP-OASPWFOLSA-N 0 0 307.306 0.310 10 30 DCEERN C=CCCS(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000367033613 527407680 /nfs/dbraw/zinc/40/76/80/527407680.db2.gz PBSQATWMSHBIKR-UHFFFAOYSA-N 0 0 322.452 0.392 10 30 DCEERN CC(C)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)n(C)n1 ZINC000408065984 528019367 /nfs/dbraw/zinc/01/93/67/528019367.db2.gz SKWXOKWJVDHBPY-UHFFFAOYSA-N 0 0 303.366 0.742 10 30 DCEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155707954 528624050 /nfs/dbraw/zinc/62/40/50/528624050.db2.gz OROGMWRVGRTUJU-NWDGAFQWSA-N 0 0 301.412 0.113 10 30 DCEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408328821 528807324 /nfs/dbraw/zinc/80/73/24/528807324.db2.gz HDOMAOZGNVSXKQ-JHJVBQTASA-N 0 0 313.423 0.999 10 30 DCEERN CCOCCS(=O)(=O)NCC(=O)N1CCC(C)(C#N)CC1 ZINC000357454807 528852181 /nfs/dbraw/zinc/85/21/81/528852181.db2.gz QOEQRWYSDQOIDZ-UHFFFAOYSA-N 0 0 317.411 0.095 10 30 DCEERN CC1(C)COCCN1CCNC(=O)N1CCc2cncnc2C1 ZINC000329282886 546045358 /nfs/dbraw/zinc/04/53/58/546045358.db2.gz NDPOLYYEBSSBPI-UHFFFAOYSA-N 0 0 319.409 0.860 10 30 DCEERN C=CCNC(=O)COC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000727550448 662187066 /nfs/dbraw/zinc/18/70/66/662187066.db2.gz XSETUFNUDDZYFA-AWEZNQCLSA-N 0 0 319.361 0.681 10 30 DCEERN C=CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1C ZINC000729294053 662763834 /nfs/dbraw/zinc/76/38/34/662763834.db2.gz DUZOMFPEXVWPTQ-GFCCVEGCSA-N 0 0 304.346 0.959 10 30 DCEERN COCCN1CCN(C(=O)c2cccc(C#CCO)c2)C[C@@H]1C ZINC000900743784 663277644 /nfs/dbraw/zinc/27/76/44/663277644.db2.gz GYMWYQUIMJWEJB-HNNXBMFYSA-N 0 0 316.401 0.823 10 30 DCEERN C[C@@H]1CN(c2nccnc2C#N)CCN1CN1CCOC1=S ZINC000151480769 664341844 /nfs/dbraw/zinc/34/18/44/664341844.db2.gz NUIZUYFWARAYKQ-LLVKDONJSA-N 0 0 318.406 0.433 10 30 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/nfs/dbraw/zinc/72/79/60/667727960.db2.gz CIPCGXSDCHGCAZ-INIZCTEOSA-N 0 0 312.377 0.964 10 30 DCEERN CO[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H]1c1cn(C)nn1 ZINC000886079962 667729548 /nfs/dbraw/zinc/72/95/48/667729548.db2.gz FUZXRFADYVOAGU-SMDDNHRTSA-N 0 0 323.360 0.953 10 30 DCEERN C#CCNC(=O)COC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000743173875 667804518 /nfs/dbraw/zinc/80/45/18/667804518.db2.gz YEDLEOAXMMNCTE-UHFFFAOYSA-N 0 0 318.304 0.837 10 30 DCEERN C#CCNC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000007683093 668155659 /nfs/dbraw/zinc/15/56/59/668155659.db2.gz IOKKHDIHSICNHJ-UHFFFAOYSA-N 0 0 323.780 0.968 10 30 DCEERN C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1OCCOC ZINC000190443902 670444614 /nfs/dbraw/zinc/44/46/14/670444614.db2.gz XTSSUQUXEJCZCG-UHFFFAOYSA-N 0 0 314.341 0.745 10 30 DCEERN CCC[C@H](C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000112494957 670607713 /nfs/dbraw/zinc/60/77/13/670607713.db2.gz NODULEBQCKOFTB-RYUDHWBXSA-N 0 0 314.407 0.779 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC000718579998 685305129 /nfs/dbraw/zinc/30/51/29/685305129.db2.gz WGDLFOMEIVMILG-VXGBXAGGSA-N 0 0 300.311 0.125 10 30 DCEERN CO[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H]1O ZINC000718577880 685305341 /nfs/dbraw/zinc/30/53/41/685305341.db2.gz MTXGGBWKJDLGJC-VXGBXAGGSA-N 0 0 300.311 0.078 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)cc1C#N ZINC000719083817 685308726 /nfs/dbraw/zinc/30/87/26/685308726.db2.gz ZDWWFOYNDAOEGO-LLVKDONJSA-N 0 0 323.374 0.645 10 30 DCEERN CC(=O)N1CCN(CCNC(=O)c2cnn3ccncc23)CC1 ZINC000329232631 1158092158 /nfs/dbraw/zinc/09/21/58/1158092158.db2.gz GDXCRPHSOPWWBL-UHFFFAOYSA-N 0 0 316.365 0.198 10 30 DCEERN C=CCC1(c2nc(-c3ncn(CC(N)=O)n3)no2)CCOCC1 ZINC000351347211 1159032291 /nfs/dbraw/zinc/03/22/91/1159032291.db2.gz MNDZKVSCKJSXHT-UHFFFAOYSA-N 0 0 318.337 0.438 10 30 DCEERN C=CCNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000171002203 1183704015 /nfs/dbraw/zinc/70/40/15/1183704015.db2.gz BMXHUQAASQMJPZ-OAHLLOKOSA-N 0 0 302.334 0.726 10 30 DCEERN C#CC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000717824313 951715915 /nfs/dbraw/zinc/71/59/15/951715915.db2.gz WRKDHHUSLUBOEQ-MRVPVSSYSA-N 0 0 318.738 0.911 10 30 DCEERN CCc1nnc([C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC000181349838 199284133 /nfs/dbraw/zinc/28/41/33/199284133.db2.gz ACUAWKHDBPJMQY-LLVKDONJSA-N 0 0 300.322 0.781 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)CCCCC#N)C[C@@H]21 ZINC000408017020 529790585 /nfs/dbraw/zinc/79/05/85/529790585.db2.gz PBFVBDQTCUYQOX-STQMWFEESA-N 0 0 301.412 0.415 10 30 DCEERN CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000163292745 530033858 /nfs/dbraw/zinc/03/38/58/530033858.db2.gz AGRRAGVAAQKGEZ-CQSZACIVSA-N 0 0 308.359 0.925 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000172308705 198077440 /nfs/dbraw/zinc/07/74/40/198077440.db2.gz SRTGCDPVIJQCNT-CYBMUJFWSA-N 0 0 316.361 0.252 10 30 DCEERN CCCCCCCCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000072400243 191151455 /nfs/dbraw/zinc/15/14/55/191151455.db2.gz 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/nfs/dbraw/zinc/15/89/84/239158984.db2.gz LTNZYCRNDKJDJL-CQSZACIVSA-N 0 0 302.382 0.785 10 30 DCEERN C[C@H](CN1CCOCC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233529 239165319 /nfs/dbraw/zinc/16/53/19/239165319.db2.gz VGLBSONUVOZQKV-UKRRQHHQSA-N 0 0 321.425 0.089 10 30 DCEERN N#C[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCN1C1CC1 ZINC000370984648 239179499 /nfs/dbraw/zinc/17/94/99/239179499.db2.gz ILMPFFUYVCGCLV-LSDHHAIUSA-N 0 0 307.394 0.771 10 30 DCEERN C[C@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988077 239258473 /nfs/dbraw/zinc/25/84/73/239258473.db2.gz CAUWQRNCRZVMGQ-BZUAXINKSA-N 0 0 320.437 0.544 10 30 DCEERN N#Cc1cnc(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000106463480 194217062 /nfs/dbraw/zinc/21/70/62/194217062.db2.gz RSIRBMLMWUUMRS-JSGCOSHPSA-N 0 0 315.289 0.763 10 30 DCEERN O=C(Cc1cc2ccc(O)cc2oc1=O)ON1C(=O)CCC1=O ZINC000060290386 184145458 /nfs/dbraw/zinc/14/54/58/184145458.db2.gz OQFZNMXNTLDKDB-UHFFFAOYSA-N 0 0 317.253 0.648 10 30 DCEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000061889818 184192371 /nfs/dbraw/zinc/19/23/71/184192371.db2.gz LBJPVOVVDPJPHJ-ONGXEEELSA-N 0 0 306.409 0.175 10 30 DCEERN COc1cc(C#N)ccc1OCCN1C[C@@H](F)C[C@H]1C(N)=O ZINC000346058810 254004088 /nfs/dbraw/zinc/00/40/88/254004088.db2.gz IUOMWBWEKYNCIK-RYUDHWBXSA-N 0 0 307.325 0.843 10 30 DCEERN N#CCSc1nnc(N)n1CC(=O)NCc1ccccc1 ZINC000001923340 395681348 /nfs/dbraw/zinc/68/13/48/395681348.db2.gz QKCZXKDGLGDHFO-UHFFFAOYSA-N 0 0 302.363 0.792 10 30 DCEERN NS(=O)(=O)c1ccc(-n2cccc2/C=N\n2cnnc2)cc1 ZINC000002987973 395682222 /nfs/dbraw/zinc/68/22/22/395682222.db2.gz BEHLGQONDFVOOM-IUXPMGMMSA-N 0 0 316.346 0.598 10 30 DCEERN C=CCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000008074813 395684017 /nfs/dbraw/zinc/68/40/17/395684017.db2.gz JDRYXDBDZKMDBX-LBPRGKRZSA-N 0 0 319.386 0.902 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCCCC(N)=O)cc2C1=O ZINC000042927485 395750715 /nfs/dbraw/zinc/75/07/15/395750715.db2.gz CIHDRHLPBPTGCS-UHFFFAOYSA-N 0 0 315.329 0.464 10 30 DCEERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccnc(C#N)c2)O1 ZINC000193752657 395778329 /nfs/dbraw/zinc/77/83/29/395778329.db2.gz VUSDDVYNCAEANU-CHWSQXEVSA-N 0 0 302.334 0.319 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000051148360 395846852 /nfs/dbraw/zinc/84/68/52/395846852.db2.gz IGIPFQINUOOCLN-LBPRGKRZSA-N 0 0 319.409 0.928 10 30 DCEERN COC[C@@H](C)S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000117905219 395856014 /nfs/dbraw/zinc/85/60/14/395856014.db2.gz MMGJXOIYIAOXDO-GFCCVEGCSA-N 0 0 324.406 0.440 10 30 DCEERN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000123292578 395893564 /nfs/dbraw/zinc/89/35/64/395893564.db2.gz TWCAZWUWVYNGKP-ZDUSSCGKSA-N 0 0 324.406 0.030 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000273149100 395903131 /nfs/dbraw/zinc/90/31/31/395903131.db2.gz QOFKHBXJFJEOEH-UHFFFAOYSA-N 0 0 322.365 0.960 10 30 DCEERN N#Cc1cc(S(=O)(=O)N2CCNC(=O)CC2)ccc1Cl ZINC000056003052 395925111 /nfs/dbraw/zinc/92/51/11/395925111.db2.gz PZUIWNNQHNGXQZ-UHFFFAOYSA-N 0 0 313.766 0.722 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000273550422 395928895 /nfs/dbraw/zinc/92/88/95/395928895.db2.gz FUISWNBSSVHXSR-NWDGAFQWSA-N 0 0 314.382 0.676 10 30 DCEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140668 396110434 /nfs/dbraw/zinc/11/04/34/396110434.db2.gz BMRDUTQDQYESNK-GFCCVEGCSA-N 0 0 311.338 0.596 10 30 DCEERN CC[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CCN1C[C@@H](C)O ZINC000174638393 396138555 /nfs/dbraw/zinc/13/85/55/396138555.db2.gz FXCLUMFNEGDYJG-TZMCWYRMSA-N 0 0 302.378 0.870 10 30 DCEERN Cc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1C#N ZINC000181779395 396242123 /nfs/dbraw/zinc/24/21/23/396242123.db2.gz HNPPWKBLORSZJP-UHFFFAOYSA-N 0 0 312.333 0.603 10 30 DCEERN C[C@@H](C#N)CNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000182854062 396255894 /nfs/dbraw/zinc/25/58/94/396255894.db2.gz QXHCQQVBIXYMGC-NSHDSACASA-N 0 0 314.353 0.116 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000183176313 396264899 /nfs/dbraw/zinc/26/48/99/396264899.db2.gz SGZVIHRBHJLKKQ-CYBMUJFWSA-N 0 0 314.345 0.864 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000183214015 396264909 /nfs/dbraw/zinc/26/49/09/396264909.db2.gz QPDDPMXDEDUOLH-GFCCVEGCSA-N 0 0 315.333 0.259 10 30 DCEERN CC(=O)N[C@H]1/C(=N/O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O ZINC000077269500 396217286 /nfs/dbraw/zinc/21/72/86/396217286.db2.gz PIYCZWMJRKZNLW-CJEGSDDRSA-N 0 0 322.317 0.153 10 30 in-vitro DCEERN N#Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)ccc1F ZINC000077542100 396225741 /nfs/dbraw/zinc/22/57/41/396225741.db2.gz NUDKLYCKNFYQCF-UHFFFAOYSA-N 0 0 316.336 0.942 10 30 DCEERN N#Cc1ccnc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000283148144 396312023 /nfs/dbraw/zinc/31/20/23/396312023.db2.gz FOJJJSJVRBZROW-AWEZNQCLSA-N 0 0 314.345 0.417 10 30 DCEERN CCNC(=O)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184580832 396299593 /nfs/dbraw/zinc/29/95/93/396299593.db2.gz ZVSQAIAWTXZBSS-UHFFFAOYSA-N 0 0 313.321 0.397 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCc2ccn(C)c2)CC1 ZINC000081509819 396303752 /nfs/dbraw/zinc/30/37/52/396303752.db2.gz FGEUXJIXYAPTOV-UHFFFAOYSA-N 0 0 319.409 0.155 10 30 DCEERN C[C@H]1CN(C(=O)c2ccnc(C#N)c2)C[C@@H]1N1CCOCC1 ZINC000193386254 396449935 /nfs/dbraw/zinc/44/99/35/396449935.db2.gz LXJQCOOUZYPSGT-WFASDCNBSA-N 0 0 300.362 0.746 10 30 DCEERN N#Cc1ccc(OC2CN(S(=O)(=O)[C@H]3CCOC3)C2)cc1 ZINC000372058373 396485423 /nfs/dbraw/zinc/48/54/23/396485423.db2.gz QCXUWDXGJIFIDK-AWEZNQCLSA-N 0 0 308.359 0.740 10 30 DCEERN C=CCOCCCNS(=O)(=O)c1cccnc1C(=O)OC ZINC000594851065 396528042 /nfs/dbraw/zinc/52/80/42/396528042.db2.gz WFBUPDYRBIINHA-UHFFFAOYSA-N 0 0 314.363 0.739 10 30 DCEERN C=CCOCCCNS(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000594851196 396528259 /nfs/dbraw/zinc/52/82/59/396528259.db2.gz ZZPNTJLXQPAWSF-UHFFFAOYSA-N 0 0 314.363 0.739 10 30 DCEERN C=CCCSCCNC(=O)C(=O)Nc1ncc(OC)cn1 ZINC000595116202 396550903 /nfs/dbraw/zinc/55/09/03/396550903.db2.gz NEBYJVJYGKNRSM-UHFFFAOYSA-N 0 0 310.379 0.849 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000558419571 396611509 /nfs/dbraw/zinc/61/15/09/396611509.db2.gz RKBSEYFPFCIDQR-NSHDSACASA-N 0 0 305.334 0.086 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)ccc1NCCCCn1cnnc1 ZINC000301416344 396716452 /nfs/dbraw/zinc/71/64/52/396716452.db2.gz AZXFEQKFVYXSJN-UHFFFAOYSA-N 0 0 320.378 0.689 10 30 DCEERN C=CCOc1ccccc1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629415781 396749950 /nfs/dbraw/zinc/74/99/50/396749950.db2.gz KWWRLADEBHRYAB-GFCCVEGCSA-N 0 0 304.346 0.968 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(C)(C)CC)C1=O ZINC000617571369 396759016 /nfs/dbraw/zinc/75/90/16/396759016.db2.gz LOMLOCZQGRKNBF-SNVBAGLBSA-N 0 0 309.366 0.904 10 30 DCEERN C=CCOCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000611546638 396884610 /nfs/dbraw/zinc/88/46/10/396884610.db2.gz YWQSDYNQVDCMNM-UHFFFAOYSA-N 0 0 315.377 0.987 10 30 DCEERN C=C[C@@H](O)C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600538678 396887315 /nfs/dbraw/zinc/88/73/15/396887315.db2.gz VGODDTLPAQXRLZ-BXUZGUMPSA-N 0 0 308.290 0.646 10 30 DCEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(c2nccnn2)CC1 ZINC000625640559 396962511 /nfs/dbraw/zinc/96/25/11/396962511.db2.gz SUBUJJPFXYNKFR-CQSZACIVSA-N 0 0 318.425 0.807 10 30 DCEERN C=CCOCCCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000618514971 396987470 /nfs/dbraw/zinc/98/74/70/396987470.db2.gz RZOMECUAEQTYOL-HNNXBMFYSA-N 0 0 309.366 0.416 10 30 DCEERN C=CCOCCCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000618516747 396987547 /nfs/dbraw/zinc/98/75/47/396987547.db2.gz FYMXHVUYTYCFCJ-UHFFFAOYSA-N 0 0 323.393 0.950 10 30 DCEERN C=CCOCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000618521003 396988414 /nfs/dbraw/zinc/98/84/14/396988414.db2.gz NKEAOSHFMDGZPU-UHFFFAOYSA-N 0 0 316.379 0.852 10 30 DCEERN C=CCOCCCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000618523619 396988651 /nfs/dbraw/zinc/98/86/51/396988651.db2.gz LBVJXLVSAFBLGW-UHFFFAOYSA-N 0 0 318.421 0.913 10 30 DCEERN C=CCOCCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000618522678 396988668 /nfs/dbraw/zinc/98/86/68/396988668.db2.gz PTPCEBZYCAWWMW-UHFFFAOYSA-N 0 0 309.366 0.464 10 30 DCEERN C=CCCCS(=O)(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000625689469 396977688 /nfs/dbraw/zinc/97/76/88/396977688.db2.gz YOOHUCADKWMZIA-GFCCVEGCSA-N 0 0 324.468 0.544 10 30 DCEERN N#Cc1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)c(F)c1 ZINC000612628044 397107736 /nfs/dbraw/zinc/10/77/36/397107736.db2.gz NXURTDXAKAOAFF-CQSZACIVSA-N 0 0 318.352 0.923 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592030395 397070343 /nfs/dbraw/zinc/07/03/43/397070343.db2.gz AJUUPPMIEJEODC-RVMXOQNASA-N 0 0 312.366 0.143 10 30 DCEERN C=CCN1C(=O)C(=O)N(Cc2nc(C[C@H]3CCCO3)no2)C1=O ZINC000349825448 397078706 /nfs/dbraw/zinc/07/87/06/397078706.db2.gz BRCNXDCFFNARKH-SECBINFHSA-N 0 0 320.305 0.268 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC1(C(=O)OC)CC1 ZINC000601410225 397106253 /nfs/dbraw/zinc/10/62/53/397106253.db2.gz CAHFXVAHGXMODS-NEPJUHHUSA-N 0 0 317.407 0.840 10 30 DCEERN C=CCn1cc(C(=O)N2CCC[C@@]2(COC)C(=O)OC)nn1 ZINC000597963386 397140418 /nfs/dbraw/zinc/14/04/18/397140418.db2.gz ICJMWYJVEOQHQO-CQSZACIVSA-N 0 0 308.338 0.258 10 30 DCEERN C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)OC ZINC000601486421 397147251 /nfs/dbraw/zinc/14/72/51/397147251.db2.gz DHSLRWJWOUQBIH-WCQYABFASA-N 0 0 305.396 0.935 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCN(c3cnn(C)c3)C2=O)C1=O ZINC000630974889 397150061 /nfs/dbraw/zinc/15/00/61/397150061.db2.gz GIUHOUUIVZGHHZ-NWDGAFQWSA-N 0 0 317.349 0.412 10 30 DCEERN CCOC(=O)CCN(CC1CC1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619589471 397154365 /nfs/dbraw/zinc/15/43/65/397154365.db2.gz YGNJUQRSQMEAPO-LLVKDONJSA-N 0 0 319.365 0.903 10 30 DCEERN C[C@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)n1cnc(C#N)n1 ZINC000619590446 397154491 /nfs/dbraw/zinc/15/44/91/397154491.db2.gz NTTNUGSRJSXSJK-PWSUYJOCSA-N 0 0 315.337 0.725 10 30 DCEERN C[C@H](C(=O)N1CCS[C@@H]2COCC[C@H]21)n1cnc(C#N)n1 ZINC000619597429 397155469 /nfs/dbraw/zinc/15/54/69/397155469.db2.gz UQFSXRPRCNYYOY-GMTAPVOTSA-N 0 0 307.379 0.444 10 30 DCEERN COc1ccccc1[C@H](CO)NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619614921 397159313 /nfs/dbraw/zinc/15/93/13/397159313.db2.gz IQSYQDVSOLAKEU-JQWIXIFHSA-N 0 0 315.333 0.569 10 30 DCEERN C[C@H](C(=O)N[C@H](CO)[C@H](C)c1ccccc1)n1cnc(C#N)n1 ZINC000619619903 397162165 /nfs/dbraw/zinc/16/21/65/397162165.db2.gz IYOAJEBNFJYIKR-YRGRVCCFSA-N 0 0 313.361 0.992 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cncc(OC)c1C)C(=O)OC ZINC000601539939 397172141 /nfs/dbraw/zinc/17/21/41/397172141.db2.gz CFTGGLGVPXCQFB-GFCCVEGCSA-N 0 0 308.334 0.873 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000619742882 397186603 /nfs/dbraw/zinc/18/66/03/397186603.db2.gz BFNQYDPXLQAGCW-BXUZGUMPSA-N 0 0 307.329 0.994 10 30 DCEERN C=C[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C(=O)OC ZINC000619746732 397187938 /nfs/dbraw/zinc/18/79/38/397187938.db2.gz LPDSRDCFUABDFI-UKRRQHHQSA-N 0 0 318.373 0.984 10 30 DCEERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1=O ZINC000619797813 397193554 /nfs/dbraw/zinc/19/35/54/397193554.db2.gz QWHXRXPAZQKFJX-LLVKDONJSA-N 0 0 311.338 0.596 10 30 DCEERN C=CCCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)nn1 ZINC000619975426 397215500 /nfs/dbraw/zinc/21/55/00/397215500.db2.gz XQFHWDVCQBNAOT-GFCCVEGCSA-N 0 0 320.397 0.682 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nnc(C2CC2)n1C ZINC000613285063 397237442 /nfs/dbraw/zinc/23/74/42/397237442.db2.gz ILJXRLKDTSIHKE-LBPRGKRZSA-N 0 0 305.382 0.780 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000601781232 397242675 /nfs/dbraw/zinc/24/26/75/397242675.db2.gz HKVRRCVCGGNYHN-MNOVXSKESA-N 0 0 303.380 0.435 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)C(=O)OC ZINC000601780457 397243205 /nfs/dbraw/zinc/24/32/05/397243205.db2.gz YJGYOUFQKZBIKU-GFCCVEGCSA-N 0 0 313.398 0.067 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)OC ZINC000601784596 397243970 /nfs/dbraw/zinc/24/39/70/397243970.db2.gz LCAMIRANHWHJPI-GHMZBOCLSA-N 0 0 307.354 0.250 10 30 DCEERN C=C(C)C[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)OC ZINC000601787598 397245770 /nfs/dbraw/zinc/24/57/70/397245770.db2.gz ZRICBPGJEMVRLH-NSHDSACASA-N 0 0 318.395 0.036 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000613349849 397246505 /nfs/dbraw/zinc/24/65/05/397246505.db2.gz AFWYWNFPRBIOBO-CQSZACIVSA-N 0 0 319.409 0.972 10 30 DCEERN C=CCCn1cc(C(=O)N2CCO[C@@](C)(C(=O)OCC)C2)nn1 ZINC000601901856 397265682 /nfs/dbraw/zinc/26/56/82/397265682.db2.gz NVFWHPGWFHRVME-OAHLLOKOSA-N 0 0 322.365 0.648 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000613522108 397273957 /nfs/dbraw/zinc/27/39/57/397273957.db2.gz UYIOWJGCRYRZDB-KBPBESRZSA-N 0 0 322.409 0.520 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1C#N ZINC000386949675 397291042 /nfs/dbraw/zinc/29/10/42/397291042.db2.gz NCAIQSXPBOMRJT-GFCCVEGCSA-N 0 0 308.363 0.290 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)nn1 ZINC000592790963 397251393 /nfs/dbraw/zinc/25/13/93/397251393.db2.gz FZUFYFIQNFWPMJ-GVXVVHGQSA-N 0 0 304.350 0.878 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1nnc2n1CCCC2 ZINC000613445342 397260288 /nfs/dbraw/zinc/26/02/88/397260288.db2.gz MLPKNWOOQVGWJQ-ZDUSSCGKSA-N 0 0 319.409 0.744 10 30 DCEERN C=CCN(CCC#N)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000593241907 397341254 /nfs/dbraw/zinc/34/12/54/397341254.db2.gz RZPWIAQQGPBMNY-UHFFFAOYSA-N 0 0 303.322 0.267 10 30 DCEERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N(C)CCC#N)[C@@H]2C1 ZINC000407989494 397342780 /nfs/dbraw/zinc/34/27/80/397342780.db2.gz HKZZTWKUSMYROJ-UPJWGTAASA-N 0 0 317.411 0.345 10 30 DCEERN C=CCOCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000613944016 397350221 /nfs/dbraw/zinc/35/02/21/397350221.db2.gz ZAUASIVOQGKIRY-NEPJUHHUSA-N 0 0 305.396 0.840 10 30 DCEERN C=C[C@](C)(O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000613947034 397351437 /nfs/dbraw/zinc/35/14/37/397351437.db2.gz RCRQRKVMDWEVBH-BBRMVZONSA-N 0 0 306.337 0.980 10 30 DCEERN CCOCCOC[C@H](O)CNC(=O)Cc1cccc(C#N)c1 ZINC000577323060 397321713 /nfs/dbraw/zinc/32/17/13/397321713.db2.gz QZYKVQFFEHQYPR-OAHLLOKOSA-N 0 0 306.362 0.631 10 30 DCEERN C=C[C@H](CC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccccc1 ZINC000458055862 397427708 /nfs/dbraw/zinc/42/77/08/397427708.db2.gz WQTSUMFEORRPFZ-CYBMUJFWSA-N 0 0 315.373 0.502 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1CCN(C2CC2)C1=O ZINC000614371760 397428358 /nfs/dbraw/zinc/42/83/58/397428358.db2.gz AJEVUYWZWUQDIX-WFASDCNBSA-N 0 0 307.394 0.984 10 30 DCEERN CN(CC(N)=O)C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCO1 ZINC000370148187 397447963 /nfs/dbraw/zinc/44/79/63/397447963.db2.gz JOMHBRVJJOJLCW-AWEZNQCLSA-N 0 0 320.368 0.315 10 30 DCEERN C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614503912 397453102 /nfs/dbraw/zinc/45/31/02/397453102.db2.gz SVGNBKLTKPBOMB-CQSZACIVSA-N 0 0 316.405 0.766 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000614260050 397407798 /nfs/dbraw/zinc/40/77/98/397407798.db2.gz SPBFVWGYLVMOAD-NSHDSACASA-N 0 0 302.396 0.151 10 30 DCEERN C=CCNC(=O)NC(=O)CN1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599690286 397506720 /nfs/dbraw/zinc/50/67/20/397506720.db2.gz MYPQYNDWBCOXQR-GHMZBOCLSA-N 0 0 311.382 0.660 10 30 DCEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)OC)cnn2C)C1 ZINC000600003878 397560776 /nfs/dbraw/zinc/56/07/76/397560776.db2.gz IIZAIQLNRMCFMR-JTQLQIEISA-N 0 0 320.349 0.570 10 30 DCEERN N#CCc1cccc(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000608778617 397755640 /nfs/dbraw/zinc/75/56/40/397755640.db2.gz NHHLYGVPQUXBQJ-UHFFFAOYSA-N 0 0 321.402 0.908 10 30 DCEERN N#Cc1ccc(CNC(=O)NCCN2C(=O)CNC2=O)c(F)c1 ZINC000609599223 397784488 /nfs/dbraw/zinc/78/44/88/397784488.db2.gz GSYVLSVPFQZEMU-UHFFFAOYSA-N 0 0 319.296 0.048 10 30 DCEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCNC(=O)C1 ZINC000122752690 158223620 /nfs/dbraw/zinc/22/36/20/158223620.db2.gz HGHRZBAIYKGHSW-UHFFFAOYSA-N 0 0 324.344 0.084 10 30 DCEERN COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1C#N ZINC000135085451 158334162 /nfs/dbraw/zinc/33/41/62/158334162.db2.gz CKCHYXKMKVYAPH-ZDUSSCGKSA-N 0 0 309.391 0.690 10 30 DCEERN N#Cc1ccc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc1 ZINC000408033579 160017611 /nfs/dbraw/zinc/01/76/11/160017611.db2.gz OAJABTUVAXKLQS-OLZOCXBDSA-N 0 0 304.325 0.729 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000408261257 160071391 /nfs/dbraw/zinc/07/13/91/160071391.db2.gz MYZDYCDGOSDFDK-JHJVBQTASA-N 0 0 303.366 0.692 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000408366181 160092985 /nfs/dbraw/zinc/09/29/85/160092985.db2.gz NGIFFTQKLWCLEB-GFCCVEGCSA-N 0 0 316.365 0.011 10 30 DCEERN N#Cc1cccnc1N1CCN(C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408399842 160100617 /nfs/dbraw/zinc/10/06/17/160100617.db2.gz LMRSIUIYBOWJMR-CYBMUJFWSA-N 0 0 320.418 0.510 10 30 DCEERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000408403805 160101057 /nfs/dbraw/zinc/10/10/57/160101057.db2.gz MVTTXHMUMIEOMN-JTQLQIEISA-N 0 0 313.404 0.909 10 30 DCEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cnc(C#N)n1 ZINC000246476856 287084108 /nfs/dbraw/zinc/08/41/08/287084108.db2.gz ASEVIWWKEWBHPJ-UTUOFQBUSA-N 0 0 317.349 0.482 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000329308756 287087369 /nfs/dbraw/zinc/08/73/69/287087369.db2.gz ZZYUUCPYUFKZIC-BARDWOONSA-N 0 0 311.426 0.856 10 30 DCEERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)O1 ZINC000248197038 287095910 /nfs/dbraw/zinc/09/59/10/287095910.db2.gz LLMJXYRFMXIJNN-BZPMIXESSA-N 0 0 315.377 0.953 10 30 DCEERN C=CCCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000342531287 415200063 /nfs/dbraw/zinc/20/00/63/415200063.db2.gz SJFLTXPKAUCTAL-OLZOCXBDSA-N 0 0 307.394 0.586 10 30 DCEERN C=CCN1CC[C@@H](N2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1=O ZINC000352542992 415217535 /nfs/dbraw/zinc/21/75/35/415217535.db2.gz AUOQYVLVIBXLPB-CHWSQXEVSA-N 0 0 315.439 0.129 10 30 DCEERN C=CCCC[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000342738252 415275287 /nfs/dbraw/zinc/27/52/87/415275287.db2.gz UTRFWQMESNGORE-ZDUSSCGKSA-N 0 0 321.425 0.693 10 30 DCEERN N#CCCCCS(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000068909047 415400120 /nfs/dbraw/zinc/40/01/20/415400120.db2.gz NWKJUSCIIJGMJI-UHFFFAOYSA-N 0 0 309.395 0.622 10 30 DCEERN N#CCCN(C(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000092229795 415538660 /nfs/dbraw/zinc/53/86/60/415538660.db2.gz CIYULAORQQPBBR-AWEZNQCLSA-N 0 0 316.361 0.119 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)CN(C)C1=O ZINC000287520583 415669412 /nfs/dbraw/zinc/66/94/12/415669412.db2.gz VGECXQVUVDQVGX-AWEZNQCLSA-N 0 0 313.357 0.631 10 30 DCEERN C=CCOc1ccc(C(=O)N(C)[C@@H](COC)C(N)=O)cc1OC ZINC000354628139 415811268 /nfs/dbraw/zinc/81/12/68/415811268.db2.gz KMYVUPKICMXCBZ-LBPRGKRZSA-N 0 0 322.361 0.832 10 30 DCEERN C=CCOc1ccc(CC(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000295870786 415900855 /nfs/dbraw/zinc/90/08/55/415900855.db2.gz YYOSEWOWZRRMRM-UHFFFAOYSA-N 0 0 318.373 0.767 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)c2ccsc2)C1=O ZINC000337077281 415904485 /nfs/dbraw/zinc/90/44/85/415904485.db2.gz RNEGNPOJHUXAIK-GFCCVEGCSA-N 0 0 321.402 0.723 10 30 DCEERN C=CCNC(=O)CN1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000337125228 415911619 /nfs/dbraw/zinc/91/16/19/415911619.db2.gz DTVKVLCTKGCORB-LBPRGKRZSA-N 0 0 309.332 0.220 10 30 DCEERN N#CC1(NC(=O)CCNS(=O)(=O)c2cccnc2)CCCC1 ZINC000124771367 415853578 /nfs/dbraw/zinc/85/35/78/415853578.db2.gz VGKIXGLHNKYYAZ-UHFFFAOYSA-N 0 0 322.390 0.703 10 30 DCEERN Cc1ccc(N(CCC#N)C(=O)CN2CC(=O)NC2=O)cc1 ZINC000134704365 415958685 /nfs/dbraw/zinc/95/86/85/415958685.db2.gz XEOFRHDTPSYSER-UHFFFAOYSA-N 0 0 300.318 0.794 10 30 DCEERN CC#CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000135966709 415960285 /nfs/dbraw/zinc/96/02/85/415960285.db2.gz XZABIGRLAHJNQN-UHFFFAOYSA-N 0 0 322.390 0.121 10 30 DCEERN CC#CCCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337686760 415996127 /nfs/dbraw/zinc/99/61/27/415996127.db2.gz QOOWBJCDLVUAGQ-RYUDHWBXSA-N 0 0 301.412 0.417 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000337247943 415933373 /nfs/dbraw/zinc/93/33/73/415933373.db2.gz KPUSFEYEUDTYKX-NSHDSACASA-N 0 0 308.334 0.696 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000337742221 416003954 /nfs/dbraw/zinc/00/39/54/416003954.db2.gz BMSZBQVYEWXGDX-UHFFFAOYSA-N 0 0 312.391 0.893 10 30 DCEERN C=CCOC[C@@H](NC(=O)N1CC[C@@H](COC)C1)C(=O)OC ZINC000337779946 416008770 /nfs/dbraw/zinc/00/87/70/416008770.db2.gz SIHYNLLWMBOCMH-VXGBXAGGSA-N 0 0 300.355 0.409 10 30 DCEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CC1(C#N)CC1)CC2 ZINC000165322081 416021571 /nfs/dbraw/zinc/02/15/71/416021571.db2.gz MEXZYNKPRYWJAD-SNVBAGLBSA-N 0 0 309.395 0.378 10 30 DCEERN CC(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000314535305 416111656 /nfs/dbraw/zinc/11/16/56/416111656.db2.gz PZNPCKFNOQIYHU-UHFFFAOYSA-N 0 0 308.363 0.115 10 30 DCEERN O=C(NCc1nccn1CC(F)(F)F)NC[C@H]1COCCO1 ZINC000328897804 416137583 /nfs/dbraw/zinc/13/75/83/416137583.db2.gz WJXKQOCSFIKXHT-VIFPVBQESA-N 0 0 322.287 0.864 10 30 DCEERN C[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)CS(C)(=O)=O ZINC000176970401 416138753 /nfs/dbraw/zinc/13/87/53/416138753.db2.gz JDAXLZMFQIWTLE-CYBMUJFWSA-N 0 0 322.434 0.756 10 30 DCEERN CSC[C@H]1CCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329486896 416173115 /nfs/dbraw/zinc/17/31/15/416173115.db2.gz RGENVMHAXNXOPE-GRYCIOLGSA-N 0 0 311.411 0.959 10 30 DCEERN N#Cc1cc(S(=O)(=O)NC[C@@]2(O)CCOC2)ccc1Cl ZINC000178987962 416179606 /nfs/dbraw/zinc/17/96/06/416179606.db2.gz DCMPOZDVLNXYSD-LBPRGKRZSA-N 0 0 316.766 0.641 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000349747885 416258394 /nfs/dbraw/zinc/25/83/94/416258394.db2.gz KNBNDIGPXJWISW-UHFFFAOYSA-N 0 0 305.426 0.884 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1cccn(CC(=O)OCC)c1=O ZINC000349925896 416262740 /nfs/dbraw/zinc/26/27/40/416262740.db2.gz GFFNGRJSIQEIRW-NSHDSACASA-N 0 0 323.349 0.470 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000350005177 416263347 /nfs/dbraw/zinc/26/33/47/416263347.db2.gz DWHLSTWSKAIZRN-SNVBAGLBSA-N 0 0 319.404 0.305 10 30 DCEERN C=C(CSc1nnc(-c2cc(C)[nH]n2)n1N)C(=O)OCC ZINC000191200974 416285213 /nfs/dbraw/zinc/28/52/13/416285213.db2.gz XJKPNWPBJBMQOA-UHFFFAOYSA-N 0 0 308.367 0.902 10 30 DCEERN C=CCN(CCOC)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000191967877 416293329 /nfs/dbraw/zinc/29/33/29/416293329.db2.gz FRXLFLOJAKZPBH-UHFFFAOYSA-N 0 0 317.345 0.351 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)CCN1CCCS1(=O)=O ZINC000195032929 416325085 /nfs/dbraw/zinc/32/50/85/416325085.db2.gz OYSIWPYKASXEQY-UHFFFAOYSA-N 0 0 314.329 0.989 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000582192178 416447135 /nfs/dbraw/zinc/44/71/35/416447135.db2.gz AUNUPZGAFPSQOJ-CYBMUJFWSA-N 0 0 312.391 0.403 10 30 DCEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC(n2ccnn2)C1 ZINC000361966858 416536155 /nfs/dbraw/zinc/53/61/55/416536155.db2.gz ZCUHESVXHWSGSQ-UHFFFAOYSA-N 0 0 319.346 0.404 10 30 DCEERN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)nn1)n1cnc(C#N)n1 ZINC000361903105 416520846 /nfs/dbraw/zinc/52/08/46/416520846.db2.gz ZZXPRNWMONUPNN-LURJTMIESA-N 0 0 311.227 1.158 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000615058754 416747578 /nfs/dbraw/zinc/74/75/78/416747578.db2.gz 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/nfs/dbraw/zinc/84/12/76/416841276.db2.gz SBZCUGPSMTWMRD-LBPRGKRZSA-N 0 0 303.428 0.922 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000623798914 416897740 /nfs/dbraw/zinc/89/77/40/416897740.db2.gz IZIOXBAHVVTKKT-CHWSQXEVSA-N 0 0 315.439 0.876 10 30 DCEERN C=CCn1cc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)nn1 ZINC000519761324 416934046 /nfs/dbraw/zinc/93/40/46/416934046.db2.gz DEKICZLAGMQNTE-AWEZNQCLSA-N 0 0 307.354 0.165 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ccc3nccnc3n2)CC1 ZINC000521707467 417025199 /nfs/dbraw/zinc/02/51/99/417025199.db2.gz VOKGJIIPDJRQLG-UHFFFAOYSA-N 0 0 312.377 0.449 10 30 DCEERN C=CCN(C(=O)c1cnc(NC)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000624489655 417045173 /nfs/dbraw/zinc/04/51/73/417045173.db2.gz VGVAFONNVDURMM-SNVBAGLBSA-N 0 0 310.379 0.334 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000616451440 417054486 /nfs/dbraw/zinc/05/44/86/417054486.db2.gz BBNBCJWPFZNMKV-CHWSQXEVSA-N 0 0 309.410 0.973 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(=O)n(CCO)c1 ZINC000616488962 417061321 /nfs/dbraw/zinc/06/13/21/417061321.db2.gz GQGDUWMNCOJHDG-ZDUSSCGKSA-N 0 0 307.350 0.250 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000624850005 417124923 /nfs/dbraw/zinc/12/49/23/417124923.db2.gz DNJZJBZIZDIGCA-NSHDSACASA-N 0 0 305.334 0.868 10 30 DCEERN C=CCC1(NS(=O)(=O)C[C@H]2CN(C)CCO2)CCOCC1 ZINC000632555516 417161238 /nfs/dbraw/zinc/16/12/38/417161238.db2.gz KBROQRSTBNILHT-CYBMUJFWSA-N 0 0 318.439 0.362 10 30 DCEERN C=CCN([C@H](C)COC)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC000632547769 417155233 /nfs/dbraw/zinc/15/52/33/417155233.db2.gz UOLPSLWRZOJMPI-NEPJUHHUSA-N 0 0 304.412 0.460 10 30 DCEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000617038335 417159722 /nfs/dbraw/zinc/15/97/22/417159722.db2.gz WFXRKZJHGRQYBE-QWHCGFSZSA-N 0 0 305.378 0.798 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC000632572449 417169612 /nfs/dbraw/zinc/16/96/12/417169612.db2.gz 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C#Cc1cccc(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000179083401 662455234 /nfs/dbraw/zinc/45/52/34/662455234.db2.gz MNCJFGKPVWOWDV-CYBMUJFWSA-N 0 0 301.346 0.493 10 30 DCEERN N#C[C@H]1CN(Cn2nnc3ccccc3c2=O)CCN1C1CC1 ZINC000732666237 664951049 /nfs/dbraw/zinc/95/10/49/664951049.db2.gz MKTKVHUTBJEQQJ-ZDUSSCGKSA-N 0 0 310.361 0.421 10 30 DCEERN CC(C)OC(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732675299 664951590 /nfs/dbraw/zinc/95/15/90/664951590.db2.gz UUGPQKDMCZNMAA-CYBMUJFWSA-N 0 0 308.382 0.710 10 30 DCEERN N#CCN1CCC(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000732677109 664951629 /nfs/dbraw/zinc/95/16/29/664951629.db2.gz IPXHNJQIUOPRKE-OAHLLOKOSA-N 0 0 316.409 0.356 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000451368602 666204371 /nfs/dbraw/zinc/20/43/71/666204371.db2.gz MAXZFGBQXHGVFH-RSUWNVLCSA-N 0 0 309.362 0.616 10 30 DCEERN C#CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000733247485 666358436 /nfs/dbraw/zinc/35/84/36/666358436.db2.gz 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/nfs/dbraw/zinc/76/61/69/667766169.db2.gz YJKYCTCONBFLIE-LLVKDONJSA-N 0 0 300.380 0.326 10 30 DCEERN C#CC[C@@H](COC)NC(=O)c1c(Br)cnn1C ZINC000716813657 670273417 /nfs/dbraw/zinc/27/34/17/670273417.db2.gz YRWDQTYAQYJPIU-QMMMGPOBSA-N 0 0 300.156 0.951 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)Oc1ccc(C#N)cc1)c2=O ZINC000011327120 670866745 /nfs/dbraw/zinc/86/67/45/670866745.db2.gz KHIFYFGEGBPGDJ-UHFFFAOYSA-N 0 0 309.285 0.607 10 30 DCEERN N#C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1 ZINC000820349074 671194145 /nfs/dbraw/zinc/19/41/45/671194145.db2.gz DICJUUXSIFXCSJ-MJBXVCDLSA-N 0 0 311.341 0.805 10 30 DCEERN C#C[C@@H](CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000718192993 685304383 /nfs/dbraw/zinc/30/43/83/685304383.db2.gz IMLLBYGNANSYLJ-VIFPVBQESA-N 0 0 300.311 0.057 10 30 DCEERN COC[C@@H](CCO)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000718553187 685305481 /nfs/dbraw/zinc/30/54/81/685305481.db2.gz YGGIRKSZGUCYBR-LLVKDONJSA-N 0 0 302.327 0.373 10 30 DCEERN C#CCN(C(=O)c1cc(F)ccc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000037825666 1171444093 /nfs/dbraw/zinc/44/40/93/1171444093.db2.gz ZXOCCCYOODFFOC-LLVKDONJSA-N 0 0 310.350 0.670 10 30 DCEERN COc1cc(S(=O)(=O)NC2CCN(CC#N)CC2)sn1 ZINC000717789160 951692661 /nfs/dbraw/zinc/69/26/61/951692661.db2.gz LKDZZOCEYGKSRR-UHFFFAOYSA-N 0 0 316.408 0.418 10 30 DCEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000181347463 199283304 /nfs/dbraw/zinc/28/33/04/199283304.db2.gz LTLIKDDBJXMFFY-LLVKDONJSA-N 0 0 300.322 0.889 10 30 DCEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](C#N)C1 ZINC000408446827 529749746 /nfs/dbraw/zinc/74/97/46/529749746.db2.gz RFTYSRQQFHQWHO-MNOVXSKESA-N 0 0 304.354 0.609 10 30 DCEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CCCCC#N)CC2 ZINC000114874966 529751546 /nfs/dbraw/zinc/75/15/46/529751546.db2.gz AJAVCWAFGFEASQ-LLVKDONJSA-N 0 0 311.411 0.769 10 30 DCEERN CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)CCC1=O ZINC000175994273 529827943 /nfs/dbraw/zinc/82/79/43/529827943.db2.gz OYPIECSWEXPUJL-LLVKDONJSA-N 0 0 318.308 0.373 10 30 DCEERN CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000358348657 530035088 /nfs/dbraw/zinc/03/50/88/530035088.db2.gz VPBPZHOPBIQVCU-NSHDSACASA-N 0 0 324.362 0.351 10 30 DCEERN CN1CCN(C(=O)c2sccc2-n2ccnn2)C[C@H]1C#N ZINC000333956634 530070250 /nfs/dbraw/zinc/07/02/50/530070250.db2.gz HERKXNWUKFTULQ-SNVBAGLBSA-N 0 0 302.363 0.609 10 30 DCEERN N#CCC[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccccc1 ZINC000153341463 237019578 /nfs/dbraw/zinc/01/95/78/237019578.db2.gz BAHQVQADKJMZLJ-LBPRGKRZSA-N 0 0 300.318 0.699 10 30 DCEERN CS(=O)(=O)NCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179811705 237251824 /nfs/dbraw/zinc/25/18/24/237251824.db2.gz DIVAIHYFHOGGCU-UHFFFAOYSA-N 0 0 321.402 0.911 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)NCCCn1ccnn1 ZINC000183167333 237280137 /nfs/dbraw/zinc/28/01/37/237280137.db2.gz IFUREMPPQSFOTK-UHFFFAOYSA-N 0 0 305.363 0.827 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000266112549 238208126 /nfs/dbraw/zinc/20/81/26/238208126.db2.gz NENKHYZBGVLJIJ-VXGBXAGGSA-N 0 0 311.411 0.688 10 30 DCEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000281858040 238365907 /nfs/dbraw/zinc/36/59/07/238365907.db2.gz ZGWRRGPNMPBFLJ-ONGXEEELSA-N 0 0 312.399 0.347 10 30 DCEERN Cc1nc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)no1 ZINC000329762862 238657716 /nfs/dbraw/zinc/65/77/16/238657716.db2.gz TUGDLANWIFBBCH-CYBMUJFWSA-N 0 0 307.310 0.759 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000407952492 239255351 /nfs/dbraw/zinc/25/53/51/239255351.db2.gz HMYGQEXNSSQFTK-GHMZBOCLSA-N 0 0 312.399 0.320 10 30 DCEERN N#C[C@@H]1CN(C(=O)NC[C@H]2COc3ccccc3O2)CCO1 ZINC000408095216 239260410 /nfs/dbraw/zinc/26/04/10/239260410.db2.gz MBKRBBJSPNQCHF-NEPJUHHUSA-N 0 0 303.318 0.760 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C1(CC(=O)OCC)CC1 ZINC000425179284 240301598 /nfs/dbraw/zinc/30/15/98/240301598.db2.gz PIMYUQPJLVQNBQ-RYUDHWBXSA-N 0 0 317.407 0.983 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000563788900 335014358 /nfs/dbraw/zinc/01/43/58/335014358.db2.gz MSOUXTAWRQTQAU-MROQNXINSA-N 0 0 314.407 0.691 10 30 DCEERN CC[C@@H](CNS(C)(=O)=O)NC(=O)c1sccc1C#N ZINC000452539033 269675435 /nfs/dbraw/zinc/67/54/35/269675435.db2.gz DRXUBSNIHRLBKP-VIFPVBQESA-N 0 0 301.393 0.677 10 30 DCEERN C=CCNC(=O)Cn1c(CNC(=O)COC)nc2ccccc21 ZINC000040296453 183052956 /nfs/dbraw/zinc/05/29/56/183052956.db2.gz PXYQEACHIBIXSN-UHFFFAOYSA-N 0 0 316.361 0.601 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1C#N ZINC000314779672 252643848 /nfs/dbraw/zinc/64/38/48/252643848.db2.gz UTIURARFPHEQHH-UHFFFAOYSA-N 0 0 308.407 0.976 10 30 DCEERN C=C(Cl)CNC(=O)C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000273123527 210499890 /nfs/dbraw/zinc/49/98/90/210499890.db2.gz LHIZKBTZGNNREB-UHFFFAOYSA-N 0 0 314.729 0.404 10 30 DCEERN Cc1nsc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c1C#N ZINC000290257901 131470327 /nfs/dbraw/zinc/47/03/27/131470327.db2.gz AIUIBQFWEFHWMI-JTQLQIEISA-N 0 0 319.390 0.108 10 30 DCEERN CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 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DCEERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000134426620 395931736 /nfs/dbraw/zinc/93/17/36/395931736.db2.gz SOAUACYMCDGKDP-TZMCWYRMSA-N 0 0 315.377 0.962 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)CN1CCN(CC)C(=O)C1=O ZINC000063851649 395983600 /nfs/dbraw/zinc/98/36/00/395983600.db2.gz ULHGRDHLTCESQY-UHFFFAOYSA-N 0 0 321.299 0.254 10 30 DCEERN CN1CCO[C@@H]2CN(C(=O)COc3ccccc3C#N)C[C@@H]21 ZINC000151927848 395996993 /nfs/dbraw/zinc/99/69/93/395996993.db2.gz XJOAWUKZPUQVQA-DZGCQCFKSA-N 0 0 301.346 0.478 10 30 DCEERN N#C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154878645 396044050 /nfs/dbraw/zinc/04/40/50/396044050.db2.gz YSNARALIAQYQDZ-GFCCVEGCSA-N 0 0 302.290 0.743 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)NCCCn2ccnn2)c1 ZINC000183161033 396263908 /nfs/dbraw/zinc/26/39/08/396263908.db2.gz QXQBJULAFUZSRJ-UHFFFAOYSA-N 0 0 305.363 0.659 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000183194875 396265016 /nfs/dbraw/zinc/26/50/16/396265016.db2.gz SUZAJXJRRRVLAW-ZDUSSCGKSA-N 0 0 314.345 0.864 10 30 DCEERN N#Cc1cccnc1N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185152402 396319332 /nfs/dbraw/zinc/31/93/32/396319332.db2.gz UAMXCMWIWSYVIB-NSHDSACASA-N 0 0 300.284 0.998 10 30 DCEERN CN(C)C(=O)NCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188989348 396389400 /nfs/dbraw/zinc/38/94/00/396389400.db2.gz YZDSBMLPIHLXOB-UHFFFAOYSA-N 0 0 300.362 0.977 10 30 DCEERN CCN1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000191515991 396420386 /nfs/dbraw/zinc/42/03/86/396420386.db2.gz BJTNMVWTBQDNRH-UHFFFAOYSA-N 0 0 300.318 0.453 10 30 DCEERN C[C@@H](O)CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192947349 396440696 /nfs/dbraw/zinc/44/06/96/396440696.db2.gz QECYMILSALHBQH-SNVBAGLBSA-N 0 0 306.366 0.940 10 30 DCEERN CN1CCCN(C(=O)NCCOc2ccc(C#N)cc2)CC1=O ZINC000188192525 396379953 /nfs/dbraw/zinc/37/99/53/396379953.db2.gz MRDUAFUMQXRPSR-UHFFFAOYSA-N 0 0 316.361 0.811 10 30 DCEERN C=CCSCCNS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594752934 396506653 /nfs/dbraw/zinc/50/66/53/396506653.db2.gz XLZOGZHWBGGTNK-NEPJUHHUSA-N 0 0 309.453 0.877 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCn1cc(C(=O)OC)nn1 ZINC000595612178 396638217 /nfs/dbraw/zinc/63/82/17/396638217.db2.gz PEFZSULSRUJQMF-TXEJJXNPSA-N 0 0 319.365 0.957 10 30 DCEERN C[C@@H](C(=O)N1CC[C@@H](Oc2ccncc2)C1)n1cnc(C#N)n1 ZINC000561484537 396642121 /nfs/dbraw/zinc/64/21/21/396642121.db2.gz PUJKORCCMCWTJW-WCQYABFASA-N 0 0 312.333 0.786 10 30 DCEERN C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H]1CO ZINC000586862379 396669672 /nfs/dbraw/zinc/66/96/72/396669672.db2.gz UQBWNDZDJIDJMC-HZMBPMFUSA-N 0 0 319.336 0.543 10 30 DCEERN CN(C[C@H]1CC=CCC1)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588125117 396678931 /nfs/dbraw/zinc/67/89/31/396678931.db2.gz XNEBJJOLTGAIIW-AWEZNQCLSA-N 0 0 318.421 0.905 10 30 DCEERN N#CCCCS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374728590 396682617 /nfs/dbraw/zinc/68/26/17/396682617.db2.gz GUNSZBOJLAZOLT-OLZOCXBDSA-N 0 0 316.423 0.777 10 30 DCEERN C[C@H](O)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000301394319 396715777 /nfs/dbraw/zinc/71/57/77/396715777.db2.gz KIUFRIGDYWAJLJ-JTQLQIEISA-N 0 0 309.391 0.803 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C(=O)NC)C1 ZINC000624990690 396742013 /nfs/dbraw/zinc/74/20/13/396742013.db2.gz LKOMYENVIAZHQJ-NSHDSACASA-N 0 0 315.381 0.817 10 30 DCEERN N#Cc1ccc(CN2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)c(F)c1 ZINC000617675230 396768864 /nfs/dbraw/zinc/76/88/64/396768864.db2.gz VCRQBDNMPMDDQN-QWHCGFSZSA-N 0 0 303.293 0.985 10 30 DCEERN CN(C[C@@H]1CCc2nccn2C1)C([O-])=[NH+][C@H]1CCN(C)C1=O ZINC000328620600 396825104 /nfs/dbraw/zinc/82/51/04/396825104.db2.gz HCCWZCYLZBXHKB-RYUDHWBXSA-N 0 0 305.382 0.522 10 30 DCEERN C=CCCn1cc(C(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)nn1 ZINC000629784599 396831833 /nfs/dbraw/zinc/83/18/33/396831833.db2.gz QSNMAYHYAXEQSC-CMPLNLGQSA-N 0 0 318.337 0.806 10 30 DCEERN C=CCCS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000625376981 396852384 /nfs/dbraw/zinc/85/23/84/396852384.db2.gz PYIPYHKLUHWBMC-CQSZACIVSA-N 0 0 318.439 0.098 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000629894095 396866549 /nfs/dbraw/zinc/86/65/49/396866549.db2.gz LCJCRPMQXHHLJX-UPJWGTAASA-N 0 0 316.423 0.365 10 30 DCEERN C=C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)C(=O)OC ZINC000600610925 396899589 /nfs/dbraw/zinc/89/95/89/396899589.db2.gz OCSIJHHHOCYDJP-GHMZBOCLSA-N 0 0 302.338 0.020 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000597232602 396919624 /nfs/dbraw/zinc/91/96/24/396919624.db2.gz WIOQTTKMGKQWQB-NSHDSACASA-N 0 0 311.411 0.208 10 30 DCEERN C=CCOCCCN1C(=O)[C@H]2CC[C@H](C(=O)OC)CN2C1=O ZINC000600703816 396923885 /nfs/dbraw/zinc/92/38/85/396923885.db2.gz TXVMRSJFSLMMMP-NWDGAFQWSA-N 0 0 310.350 0.795 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000625565657 396927202 /nfs/dbraw/zinc/92/72/02/396927202.db2.gz HIKIRIGRDSNNKU-RYUDHWBXSA-N 0 0 300.399 0.295 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 ZINC000625565314 396927327 /nfs/dbraw/zinc/92/73/27/396927327.db2.gz OXIBTFPUPGWXTE-MRXNPFEDSA-N 0 0 309.410 0.690 10 30 DCEERN C=CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000618520870 396988177 /nfs/dbraw/zinc/98/81/77/396988177.db2.gz LOKLMHUKYLTZPZ-ZDUSSCGKSA-N 0 0 318.439 0.757 10 30 DCEERN C=CCOCCCNC(=O)c1cc(C)ccc1S(N)(=O)=O ZINC000618526255 396988487 /nfs/dbraw/zinc/98/84/87/396988487.db2.gz OUGAOVPGXNKIFF-UHFFFAOYSA-N 0 0 312.391 0.965 10 30 DCEERN C=CCOCCCNC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000618522888 396988814 /nfs/dbraw/zinc/98/88/14/396988814.db2.gz XKFVGMLOUQHEEM-UHFFFAOYSA-N 0 0 304.350 0.582 10 30 DCEERN C=CCCS(=O)(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000625685651 396974735 /nfs/dbraw/zinc/97/47/35/396974735.db2.gz AOMUWMARFYGNBL-LLVKDONJSA-N 0 0 310.441 0.154 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000612432610 397054758 /nfs/dbraw/zinc/05/47/58/397054758.db2.gz MXZONRGFKDNDJE-GFCCVEGCSA-N 0 0 320.349 0.599 10 30 DCEERN N#CCc1ccccc1S(=O)(=O)N1CCN(CCCO)CC1 ZINC000619573101 397151043 /nfs/dbraw/zinc/15/10/43/397151043.db2.gz NDLWCXFAYXGOCH-UHFFFAOYSA-N 0 0 323.418 0.441 10 30 DCEERN COC(=O)C1CCC(NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000619591358 397154276 /nfs/dbraw/zinc/15/42/76/397154276.db2.gz SUFJRMFWYQTHFQ-KPPDAEKUSA-N 0 0 305.338 0.559 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)OC ZINC000601501529 397155091 /nfs/dbraw/zinc/15/50/91/397155091.db2.gz CAWWPECKIVHYRA-LLVKDONJSA-N 0 0 315.395 0.998 10 30 DCEERN C[C@H](C(=O)N(C)[C@H]1CCCc2c1cnn2C)n1cnc(C#N)n1 ZINC000619597483 397155437 /nfs/dbraw/zinc/15/54/37/397155437.db2.gz VABFJLDNCCMRLL-PWSUYJOCSA-N 0 0 313.365 0.980 10 30 DCEERN CCOC(=O)c1nnc(NC(=O)[C@H](C)n2cnc(C#N)n2)s1 ZINC000619596811 397155625 /nfs/dbraw/zinc/15/56/25/397155625.db2.gz IZECMDFLNRTBHG-LURJTMIESA-N 0 0 321.322 0.378 10 30 DCEERN C[C@H](c1ccccc1)[C@H](CO)NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619619901 397161831 /nfs/dbraw/zinc/16/18/31/397161831.db2.gz IYOAJEBNFJYIKR-DYEKYZERSA-N 0 0 313.361 0.992 10 30 DCEERN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O ZINC000619843460 397199212 /nfs/dbraw/zinc/19/92/12/397199212.db2.gz FEUBXTNJDMZBCC-LBPRGKRZSA-N 0 0 318.308 0.373 10 30 DCEERN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000619878816 397203607 /nfs/dbraw/zinc/20/36/07/397203607.db2.gz GBEPEKPWEGHRAJ-GXFFZTMASA-N 0 0 319.336 0.543 10 30 DCEERN C=C(C)C[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)OC ZINC000601788040 397245497 /nfs/dbraw/zinc/24/54/97/397245497.db2.gz OVFJKAREPHHERS-QMMMGPOBSA-N 0 0 310.272 0.679 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)OC ZINC000601787265 397245700 /nfs/dbraw/zinc/24/57/00/397245700.db2.gz LJNHJCSSNGGHDN-LLVKDONJSA-N 0 0 322.365 0.552 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](C(F)F)CC1 ZINC000601973933 397278974 /nfs/dbraw/zinc/27/89/74/397278974.db2.gz FLDYGICBLVWNFB-UWVGGRQHSA-N 0 0 305.325 0.743 10 30 DCEERN C=C(CNC(=O)[C@@H](O)C1CCC1)CNC(=O)[C@@H](O)C1CCC1 ZINC000620747981 397300167 /nfs/dbraw/zinc/30/01/67/397300167.db2.gz WLKKZMICXJLRRX-KBPBESRZSA-N 0 0 310.394 0.097 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000613683665 397300596 /nfs/dbraw/zinc/30/05/96/397300596.db2.gz GJXWRYNDZORWTN-AWEZNQCLSA-N 0 0 309.410 0.784 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)nn1 ZINC000592790961 397251960 /nfs/dbraw/zinc/25/19/60/397251960.db2.gz FZUFYFIQNFWPMJ-DMDPSCGWSA-N 0 0 304.350 0.878 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000614016647 397361888 /nfs/dbraw/zinc/36/18/88/397361888.db2.gz KKOKBJRQZWDWJS-AAEUAGOBSA-N 0 0 316.423 0.350 10 30 DCEERN C=C[C@@H](C(=O)OC)n1cnc2c(nsc2C(=O)OCC)c1=O ZINC000593426866 397368360 /nfs/dbraw/zinc/36/83/60/397368360.db2.gz PGDQYYXYHNHCIP-ZETCQYMHSA-N 0 0 323.330 0.930 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000602322798 397371552 /nfs/dbraw/zinc/37/15/52/397371552.db2.gz WQRPOEYCENKRLZ-XUJVJEKNSA-N 0 0 312.366 0.694 10 30 DCEERN C=CCCSCCNC(=O)N1CCn2nnc(CO)c2C1 ZINC000602332638 397374982 /nfs/dbraw/zinc/37/49/82/397374982.db2.gz HERGJADJPVIPFP-UHFFFAOYSA-N 0 0 311.411 0.605 10 30 DCEERN C=CCC[C@@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)OCC ZINC000602161366 397328964 /nfs/dbraw/zinc/32/89/64/397328964.db2.gz UDXYKIGQZXNZKK-NWDGAFQWSA-N 0 0 317.407 0.968 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cncc(OCC)c2)CC1 ZINC000621710562 397420518 /nfs/dbraw/zinc/42/05/18/397420518.db2.gz HBXYQHLEFZIUNP-UHFFFAOYSA-N 0 0 318.421 0.900 10 30 DCEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621558376 397397995 /nfs/dbraw/zinc/39/79/95/397397995.db2.gz DJIROTDPKXRHRE-GXTWGEPZSA-N 0 0 324.402 0.892 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621558378 397398080 /nfs/dbraw/zinc/39/80/80/397398080.db2.gz DJIROTDPKXRHRE-OCCSQVGLSA-N 0 0 324.402 0.892 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000424931966 397403731 /nfs/dbraw/zinc/40/37/31/397403731.db2.gz LOZJMZTVGWBENO-IUCAKERBSA-N 0 0 300.336 0.248 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000425888103 397407679 /nfs/dbraw/zinc/40/76/79/397407679.db2.gz SLTSUNCAWVZYJS-XUXIUFHCSA-N 0 0 310.394 0.625 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCO[C@](C)(C(=O)OCC)C1 ZINC000603001979 397548192 /nfs/dbraw/zinc/54/81/92/397548192.db2.gz XUNPQZHDCNSZJV-INIZCTEOSA-N 0 0 310.394 0.841 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(C(=O)OC)cnn1C ZINC000603021555 397553529 /nfs/dbraw/zinc/55/35/29/397553529.db2.gz WCQWNYMDEVVLTB-ONGXEEELSA-N 0 0 308.338 0.919 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC1(C#N)CC1 ZINC000579427551 397565849 /nfs/dbraw/zinc/56/58/49/397565849.db2.gz UVRJUAIOKDXNDE-UWVGGRQHSA-N 0 0 310.354 0.046 10 30 DCEERN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(C#N)c1 ZINC000610362112 397816561 /nfs/dbraw/zinc/81/65/61/397816561.db2.gz KYWYTUXNUGKMLL-SECBINFHSA-N 0 0 300.278 0.935 10 30 DCEERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000121272871 158209434 /nfs/dbraw/zinc/20/94/34/158209434.db2.gz QFMIKGWHFMLWSZ-AWEZNQCLSA-N 0 0 314.345 0.624 10 30 DCEERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000170656766 158374747 /nfs/dbraw/zinc/37/47/47/158374747.db2.gz VSDRANICCJTECS-UHFFFAOYSA-N 0 0 310.379 0.488 10 30 DCEERN COC(=O)CNC(=O)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000185890591 158524919 /nfs/dbraw/zinc/52/49/19/158524919.db2.gz RJOHEZTWRNJUOD-UHFFFAOYSA-N 0 0 313.317 0.414 10 30 DCEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190667092 158561738 /nfs/dbraw/zinc/56/17/38/158561738.db2.gz XJIJIXAFLPLYFU-NSHDSACASA-N 0 0 314.345 0.542 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407959902 159997015 /nfs/dbraw/zinc/99/70/15/159997015.db2.gz VWYNWOIZAZROLE-UHFFFAOYSA-N 0 0 319.386 0.862 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407959536 159997227 /nfs/dbraw/zinc/99/72/27/159997227.db2.gz VAMFLKUAVBYZLG-UHFFFAOYSA-N 0 0 319.386 0.862 10 30 DCEERN Cc1nn([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000408010961 160010571 /nfs/dbraw/zinc/01/05/71/160010571.db2.gz YTEITDIVNFWTNF-CMPLNLGQSA-N 0 0 310.379 0.270 10 30 DCEERN Cc1onc(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1C#N ZINC000408065746 160026600 /nfs/dbraw/zinc/02/66/00/160026600.db2.gz QBPAXRQOXHFOPM-KGLIPLIRSA-N 0 0 304.350 0.329 10 30 DCEERN C[C@H]1CC[S@@](=O)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116774 160039728 /nfs/dbraw/zinc/03/97/28/160039728.db2.gz ZLQJSCPUIJMRDY-NIVTXAMTSA-N 0 0 302.377 0.683 10 30 DCEERN Cc1nc(C(=O)N2CCc3c(ncn(C)c3=O)C2)ccc1C#N ZINC000408323695 160084977 /nfs/dbraw/zinc/08/49/77/160084977.db2.gz BEMAVQJCEQBFPZ-UHFFFAOYSA-N 0 0 309.329 0.554 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)c2nc(COC)no2)CC1 ZINC000342699934 415260647 /nfs/dbraw/zinc/26/06/47/415260647.db2.gz WYJNYFNRURIQBS-LBPRGKRZSA-N 0 0 323.397 0.197 10 30 DCEERN CN1CCN(C(=O)NC[C@H]2CCCn3ccnc32)C[C@@H]1C#N ZINC000332938876 415513426 /nfs/dbraw/zinc/51/34/26/415513426.db2.gz PXEXPSJDOWPLRN-OLZOCXBDSA-N 0 0 302.382 0.610 10 30 DCEERN C=CCNC(=O)c1ccc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000285022374 415607621 /nfs/dbraw/zinc/60/76/21/415607621.db2.gz MXACNIVMGLKZAI-GJZGRUSLSA-N 0 0 316.405 0.907 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)C(=O)COC ZINC000286077029 415624202 /nfs/dbraw/zinc/62/42/02/415624202.db2.gz AAVJWPRCLIRYBD-OAHLLOKOSA-N 0 0 302.374 0.842 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CCOCC1=O ZINC000287216397 415644429 /nfs/dbraw/zinc/64/44/29/415644429.db2.gz IOENTWRPPQITQE-HNNXBMFYSA-N 0 0 300.358 0.596 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110124368 415687410 /nfs/dbraw/zinc/68/74/10/415687410.db2.gz UCWUYGZZALYIKR-UHFFFAOYSA-N 0 0 301.394 0.778 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](CCC)C(=O)OCC)CC1 ZINC000114801605 415718877 /nfs/dbraw/zinc/71/88/77/415718877.db2.gz DOYFINDPVIGLFT-CQSZACIVSA-N 0 0 311.426 0.638 10 30 DCEERN COc1cc(F)ccc1N1CCN(CC(=O)NCC#N)CC1 ZINC000115551293 415729384 /nfs/dbraw/zinc/72/93/84/415729384.db2.gz RMMHPXLWUWUIDD-UHFFFAOYSA-N 0 0 306.341 0.596 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000289367454 415707100 /nfs/dbraw/zinc/70/71/00/415707100.db2.gz JCOYABMEFQTNET-LBPRGKRZSA-N 0 0 324.299 0.221 10 30 DCEERN N#CCOc1ccc(CC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112656880 415710341 /nfs/dbraw/zinc/71/03/41/415710341.db2.gz KWEOLRIGINHUDB-CYBMUJFWSA-N 0 0 311.345 0.854 10 30 DCEERN C=CCNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C ZINC000124419332 415848575 /nfs/dbraw/zinc/84/85/75/415848575.db2.gz ZDGYQNZRHVJZLZ-UHFFFAOYSA-N 0 0 302.334 0.110 10 30 DCEERN C=CCCS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000121055475 415792869 /nfs/dbraw/zinc/79/28/69/415792869.db2.gz SRGKOZFMZKHRMP-UHFFFAOYSA-N 0 0 314.411 0.792 10 30 DCEERN C=CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000354838034 415824619 /nfs/dbraw/zinc/82/46/19/415824619.db2.gz DNHAGDVWXYBOEF-LBPRGKRZSA-N 0 0 317.411 0.008 10 30 DCEERN C=CCOc1ccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000295253876 415887864 /nfs/dbraw/zinc/88/78/64/415887864.db2.gz GZLAUBGQCKFRSD-CYBMUJFWSA-N 0 0 302.330 0.715 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337047294 415898851 /nfs/dbraw/zinc/89/88/51/415898851.db2.gz LSXJRCKRLGSKHP-MNOVXSKESA-N 0 0 310.441 0.200 10 30 DCEERN C=CCCN(C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337141570 415916410 /nfs/dbraw/zinc/91/64/10/415916410.db2.gz NPLAIICTUVHUKV-RYUDHWBXSA-N 0 0 303.428 0.922 10 30 DCEERN C=CCNC(=O)CN1CCN(c2cc(OCC)ncn2)CC1 ZINC000355444070 415862128 /nfs/dbraw/zinc/86/21/28/415862128.db2.gz NMCOKPGFZKIZIR-UHFFFAOYSA-N 0 0 305.382 0.300 10 30 DCEERN C=CCOCCCC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337719851 416001151 /nfs/dbraw/zinc/00/11/51/416001151.db2.gz IHQYBXAWFAYMCI-OLZOCXBDSA-N 0 0 318.439 0.803 10 30 DCEERN C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000297744414 415972528 /nfs/dbraw/zinc/97/25/28/415972528.db2.gz FQNQONFHYLBRTM-LBPRGKRZSA-N 0 0 308.300 0.937 10 30 DCEERN C=CCN(CCc1ccco1)C(=O)CS(=O)(=O)N(C)C ZINC000345274795 416071765 /nfs/dbraw/zinc/07/17/65/416071765.db2.gz 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/nfs/dbraw/zinc/14/24/12/527142412.db2.gz BFISCLKDEOBLEL-ZDUSSCGKSA-N 0 0 308.407 0.660 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000268565588 527182345 /nfs/dbraw/zinc/18/23/45/527182345.db2.gz FUOZYYUKXVJKQH-UHFFFAOYSA-N 0 0 320.349 0.552 10 30 DCEERN C=CC[C@H](CO)NC(=O)CCn1cnc2sccc2c1=O ZINC000185933028 527194233 /nfs/dbraw/zinc/19/42/33/527194233.db2.gz DAEWDGXRXBDGOJ-SNVBAGLBSA-N 0 0 307.375 0.901 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC000337911001 527359728 /nfs/dbraw/zinc/35/97/28/527359728.db2.gz PWWVHQWRGULBSM-VXGBXAGGSA-N 0 0 323.397 0.370 10 30 DCEERN C=CCCOCCNC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000371088470 527363575 /nfs/dbraw/zinc/36/35/75/527363575.db2.gz OLDMERPSYTYKQX-CYBMUJFWSA-N 0 0 312.410 0.969 10 30 DCEERN C=CCCS(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000352528034 527409285 /nfs/dbraw/zinc/40/92/85/527409285.db2.gz IKZFHTJMQZOPCG-UHFFFAOYSA-N 0 0 300.302 0.599 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C)CCC(=O)NC2)c1 ZINC000281804806 527453351 /nfs/dbraw/zinc/45/33/51/527453351.db2.gz IULYQYYUBBDPJF-KRWDZBQOSA-N 0 0 313.357 0.639 10 30 DCEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)CC2 ZINC000161511174 528334368 /nfs/dbraw/zinc/33/43/68/528334368.db2.gz JQWXGJYJLSGUGY-RYUDHWBXSA-N 0 0 318.381 0.650 10 30 DCEERN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC(O)(CC#N)C1 ZINC000186811205 528576981 /nfs/dbraw/zinc/57/69/81/528576981.db2.gz XBTHFQJDCGLKEP-GFCCVEGCSA-N 0 0 305.334 0.521 10 30 DCEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407956641 528638557 /nfs/dbraw/zinc/63/85/57/528638557.db2.gz MLXXNHLDLLRLKP-NSHDSACASA-N 0 0 314.411 0.019 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000407954144 528709937 /nfs/dbraw/zinc/70/99/37/528709937.db2.gz NGKDENOEYMCBAU-WOPDTQHZSA-N 0 0 316.427 0.299 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000369948407 528716678 /nfs/dbraw/zinc/71/66/78/528716678.db2.gz MTEOAGVZLSLXKQ-XQHKEYJVSA-N 0 0 301.412 0.870 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408203401 528854692 /nfs/dbraw/zinc/85/46/92/528854692.db2.gz QHUZYBMFUGIQHA-YRGRVCCFSA-N 0 0 315.439 0.548 10 30 DCEERN CC[C@@H](O)CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000180420841 529229426 /nfs/dbraw/zinc/22/94/26/529229426.db2.gz GCCAMSRSPXLQBJ-GFCCVEGCSA-N 0 0 301.412 0.008 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc(OCC)cn2)CC1 ZINC000088491146 545711586 /nfs/dbraw/zinc/71/15/86/545711586.db2.gz FKCJSLSMHXTBHJ-UHFFFAOYSA-N 0 0 318.421 0.900 10 30 DCEERN CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@H]2C(N)=NO)C1 ZINC000250948071 665593646 /nfs/dbraw/zinc/59/36/46/665593646.db2.gz NFTSGNYPHSLCLK-NEPJUHHUSA-N 0 0 318.443 0.259 10 30 DCEERN CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 ZINC000169820100 662567010 /nfs/dbraw/zinc/56/70/10/662567010.db2.gz PMLYLOYFISGCEQ-UHFFFAOYSA-N 0 0 314.345 0.843 10 30 DCEERN C#CCN(C(=O)COc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 ZINC000729332722 662788074 /nfs/dbraw/zinc/78/80/74/662788074.db2.gz VYIYXHRGWUCRIA-NSHDSACASA-N 0 0 312.347 0.011 10 30 DCEERN C#CCNC(=O)[C@@H](C)N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC000729927917 662912665 /nfs/dbraw/zinc/91/26/65/662912665.db2.gz RMFIGSIZEAFECB-CYBMUJFWSA-N 0 0 317.393 0.054 10 30 DCEERN C#CCCCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000173320924 664628258 /nfs/dbraw/zinc/62/82/58/664628258.db2.gz ZDHYXMJJHJLZBK-KBPBESRZSA-N 0 0 321.333 0.702 10 30 DCEERN N#Cc1cnn(CCOC(=O)Cn2ncc3ccccc32)c1N ZINC000731773243 664883117 /nfs/dbraw/zinc/88/31/17/664883117.db2.gz MRMDNJHNPDFTQW-UHFFFAOYSA-N 0 0 310.317 0.930 10 30 DCEERN N#C[C@@H]1CN(C(=O)CSc2cccc[n+]2[O-])CCN1C1CC1 ZINC000732664628 664950572 /nfs/dbraw/zinc/95/05/72/664950572.db2.gz MJBVYHYUJWAGDD-CYBMUJFWSA-N 0 0 318.402 0.611 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)CCN1C1CC1 ZINC000732677399 664950781 /nfs/dbraw/zinc/95/07/81/664950781.db2.gz MJBCGUOCYCAZCL-UKRRQHHQSA-N 0 0 322.409 0.421 10 30 DCEERN C[C@@]1(C2CC2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000732672728 664951481 /nfs/dbraw/zinc/95/14/81/664951481.db2.gz LYMCWHXXHCURHM-BBRMVZONSA-N 0 0 317.393 0.337 10 30 DCEERN Cn1c(N)nnc1SCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163304721 666639746 /nfs/dbraw/zinc/63/97/46/666639746.db2.gz IZVVTLUHABRVLT-UHFFFAOYSA-N 0 0 323.403 0.835 10 30 DCEERN C#Cc1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cn1 ZINC000733973826 666830362 /nfs/dbraw/zinc/83/03/62/666830362.db2.gz AVSMTWRPZNBCAA-UHFFFAOYSA-N 0 0 319.430 0.636 10 30 DCEERN N#C[C@@H]1CCC[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000701337461 666832040 /nfs/dbraw/zinc/83/20/40/666832040.db2.gz UDPFKZNPOQGTTG-HBNTYKKESA-N 0 0 302.421 0.715 10 30 DCEERN C#CCOc1ccc(F)cc1NC(=O)CN1CC(=O)NC1=O ZINC000741730338 667775308 /nfs/dbraw/zinc/77/53/08/667775308.db2.gz NYBWOQOZTYDINT-UHFFFAOYSA-N 0 0 305.265 0.328 10 30 DCEERN C=CCNC(=O)[C@@H](C)OC(=O)Cn1cnc2ccccc2c1=O ZINC000007169453 668154220 /nfs/dbraw/zinc/15/42/20/668154220.db2.gz MCRUPMJUMFLPKL-LLVKDONJSA-N 0 0 315.329 0.630 10 30 DCEERN C#CC[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000079211298 670183625 /nfs/dbraw/zinc/18/36/25/670183625.db2.gz ZXNGQFNMHTXFPK-XEHSLEBBSA-N 0 0 302.330 0.442 10 30 DCEERN CC(C)(C)C=CC(O)=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000117097160 671165633 /nfs/dbraw/zinc/16/56/33/671165633.db2.gz MDSXSWNQQNHJOZ-SGUJLRQBSA-N 0 0 312.391 0.555 10 30 DCEERN CCNC(=O)C1CN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000121521810 672053399 /nfs/dbraw/zinc/05/33/99/672053399.db2.gz LVUZCPFMPAEROF-UHFFFAOYSA-N 0 0 301.346 0.726 10 30 DCEERN C[C@H](C[S@](C)=O)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719976099 685311818 /nfs/dbraw/zinc/31/18/18/685311818.db2.gz QXGVWYKWGJEEOE-CVJBHZAOSA-N 0 0 304.368 0.743 10 30 DCEERN CCC(C#N)(CC)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 ZINC000720861913 685316214 /nfs/dbraw/zinc/31/62/14/685316214.db2.gz KQFFIJSWGUHUQQ-CYBMUJFWSA-N 0 0 302.396 0.636 10 30 DCEERN C#CCNC(=O)CN1CCc2cc(OC)c(OC)cc2CC1 ZINC000138719479 685124508 /nfs/dbraw/zinc/12/45/08/685124508.db2.gz XUCZWUYCQFQGCB-UHFFFAOYSA-N 0 0 302.374 0.854 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000385853103 685248359 /nfs/dbraw/zinc/24/83/59/685248359.db2.gz DSRPYBWBXOLCKW-UHFFFAOYSA-N 0 0 322.796 0.795 10 30 DCEERN CN(C)S(=O)(=O)CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000407069801 1158052391 /nfs/dbraw/zinc/05/23/91/1158052391.db2.gz SNORIMZNRQBOLD-UHFFFAOYSA-N 0 0 304.353 0.831 10 30 DCEERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1ccccc1C#N ZINC000588512401 1158272912 /nfs/dbraw/zinc/27/29/12/1158272912.db2.gz CAFJLUMXJKTYQQ-WJDZFGBRSA-N 0 0 300.314 0.706 10 30 DCEERN C#CCSCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307904585 1190384964 /nfs/dbraw/zinc/38/49/64/1190384964.db2.gz NOIOJDUHZWIALJ-UHFFFAOYSA-N 0 0 312.416 0.769 10 30 DCEERN CON=Cc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000588531426 747409087 /nfs/dbraw/zinc/40/90/87/747409087.db2.gz QJSLXZYADWPIAA-ZDUSSCGKSA-N 0 0 305.378 0.806 10 30 DCEERN CN(CC(N)=O)C[C@H]1CN(Cc2ccc(C#N)s2)CCO1 ZINC000275804759 529852249 /nfs/dbraw/zinc/85/22/49/529852249.db2.gz TUYHFYAYAWEANH-NSHDSACASA-N 0 0 308.407 0.238 10 30 DCEERN C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000171110006 197882831 /nfs/dbraw/zinc/88/28/31/197882831.db2.gz VWNZPBYWBYHOPJ-SMDDNHRTSA-N 0 0 301.346 0.972 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000172316176 198078598 /nfs/dbraw/zinc/07/85/98/198078598.db2.gz YQUHWKIICIPMNY-PSKZRQQASA-N 0 0 319.386 0.722 10 30 DCEERN C=CCOCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000173045462 198180371 /nfs/dbraw/zinc/18/03/71/198180371.db2.gz DARVWDHQNDPUEB-UHFFFAOYSA-N 0 0 312.391 0.933 10 30 DCEERN C[C@@H](CC#N)N(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000161857507 237103577 /nfs/dbraw/zinc/10/35/77/237103577.db2.gz CANRRBJUQGUQTB-NSHDSACASA-N 0 0 318.381 0.058 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)N(CCC#N)CC2CC2)[C@H](C)CO1 ZINC000173115378 237154702 /nfs/dbraw/zinc/15/47/02/237154702.db2.gz PJOCYMGIEQALFS-VXGBXAGGSA-N 0 0 301.412 0.966 10 30 DCEERN 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C[C@@H]1CCC[C@@](C#N)(NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000073766974 296453477 /nfs/dbraw/zinc/45/34/77/296453477.db2.gz IZXSXBSSVIRYGA-MEBBXXQBSA-N 0 0 306.366 0.905 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000328664194 533386580 /nfs/dbraw/zinc/38/65/80/533386580.db2.gz BKHDTZPSNWSBCN-UTUOFQBUSA-N 0 0 319.427 0.218 10 30 DCEERN CS(=O)(=O)[C@H]1CCN(C(=O)NCCC2CCOCC2)C1 ZINC000328708428 533434473 /nfs/dbraw/zinc/43/44/73/533434473.db2.gz MGLDFEXOEYEOBV-LBPRGKRZSA-N 0 0 304.412 0.836 10 30 DCEERN COC(=O)CN(CC#N)C(=O)c1ccc(-c2ncon2)cc1 ZINC000120501274 533485431 /nfs/dbraw/zinc/48/54/31/533485431.db2.gz UGOXETOQRSHFFB-UHFFFAOYSA-N 0 0 300.274 0.875 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000015801031 395690208 /nfs/dbraw/zinc/69/02/08/395690208.db2.gz NHTSNCCWVFRTQP-WCQYABFASA-N 0 0 322.386 0.971 10 30 DCEERN COc1ccc(S(=O)(=O)OC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000003069090 395682281 /nfs/dbraw/zinc/68/22/81/395682281.db2.gz BZDARBFLFHTHIM-JTQLQIEISA-N 0 0 320.388 0.835 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O ZINC000007020581 395683224 /nfs/dbraw/zinc/68/32/24/395683224.db2.gz QDXDUCDECXWRNY-UHFFFAOYSA-N 0 0 319.317 0.523 10 30 DCEERN CC(=O)N[C@@H]1/C(=N\O)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O ZINC000035636104 395721362 /nfs/dbraw/zinc/72/13/62/395721362.db2.gz PIYCZWMJRKZNLW-OPCQVGSNSA-N 0 0 322.317 0.153 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)c2cccn2C)CC1 ZINC000027560101 395695092 /nfs/dbraw/zinc/69/50/92/395695092.db2.gz INGOZHFDSCXKRQ-UHFFFAOYSA-N 0 0 304.394 0.128 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)NCC#Cc1ccccc1)c2=O ZINC000198892171 395834301 /nfs/dbraw/zinc/83/43/01/395834301.db2.gz SVVMHNYUVNATKD-UHFFFAOYSA-N 0 0 321.340 0.298 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000273349450 395914880 /nfs/dbraw/zinc/91/48/80/395914880.db2.gz BKBALAZEQQRTRX-NSHDSACASA-N 0 0 309.366 0.294 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000273412160 395919932 /nfs/dbraw/zinc/91/99/32/395919932.db2.gz JBKJWUOHUNYPJP-VIFPVBQESA-N 0 0 316.335 0.819 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC ZINC000273456559 395922521 /nfs/dbraw/zinc/92/25/21/395922521.db2.gz HCPLXYZJGWQZCZ-IJLUTSLNSA-N 0 0 300.424 0.987 10 30 DCEERN CCOC(=O)COc1c(C=NNC(N)=S)cccc1OC ZINC000254871891 396032122 /nfs/dbraw/zinc/03/21/22/396032122.db2.gz GAGLZCFZMFWIAR-UHFFFAOYSA-N 0 0 311.363 0.804 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCSC2)CC1 ZINC000074820283 396172907 /nfs/dbraw/zinc/17/29/07/396172907.db2.gz QIBJBTOYGDIASY-LBPRGKRZSA-N 0 0 312.439 0.121 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCCC(=O)NCc1ccccn1 ZINC000184550610 396298263 /nfs/dbraw/zinc/29/82/63/396298263.db2.gz VSYGACGZBFCABD-UHFFFAOYSA-N 0 0 311.345 0.728 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000081665138 396306746 /nfs/dbraw/zinc/30/67/46/396306746.db2.gz HDPPSCIPFYFQMC-NSHDSACASA-N 0 0 310.379 0.051 10 30 DCEERN C[C@@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@@H]1N1CCOCC1 ZINC000283354775 396332044 /nfs/dbraw/zinc/33/20/44/396332044.db2.gz IRFTVVKRYWVQOO-DOMZBBRYSA-N 0 0 300.362 0.746 10 30 DCEERN CN(Cc1nnnn1C)S(=O)(=O)c1ccc(C#N)cc1F ZINC000580926495 396511164 /nfs/dbraw/zinc/51/11/64/396511164.db2.gz CJRCWPNTTZEJAR-UHFFFAOYSA-N 0 0 310.314 0.042 10 30 DCEERN Cn1cc(N2C(=O)C[C@@H](N3CCC(C)(C#N)CC3)C2=O)cn1 ZINC000541859106 396610394 /nfs/dbraw/zinc/61/03/94/396610394.db2.gz JXSFRQGHWAGSFQ-GFCCVEGCSA-N 0 0 301.350 0.678 10 30 DCEERN C=CCC1(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)CCC1 ZINC000629531529 396778178 /nfs/dbraw/zinc/77/81/78/396778178.db2.gz NYQCQGSLIGUULE-UHFFFAOYSA-N 0 0 301.412 0.340 10 30 DCEERN C=CCOc1cccnc1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629396233 396740163 /nfs/dbraw/zinc/74/01/63/396740163.db2.gz WUKVLUVOBQRICZ-NSHDSACASA-N 0 0 305.334 0.363 10 30 DCEERN C=CCn1cc(CN2C(=O)N[C@@H](C[C@@H]3CCCOC3)C2=O)nn1 ZINC000629478119 396767621 /nfs/dbraw/zinc/76/76/21/396767621.db2.gz SPJKRZPYBCRKRA-AAEUAGOBSA-N 0 0 319.365 0.701 10 30 DCEERN C=CCn1cc(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)nn1 ZINC000625256587 396820183 /nfs/dbraw/zinc/82/01/83/396820183.db2.gz DPJJZBFYAANQIB-NSHDSACASA-N 0 0 300.384 0.451 10 30 DCEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)C1 ZINC000625351248 396843975 /nfs/dbraw/zinc/84/39/75/396843975.db2.gz UNLZPJGHDNHAKP-LLVKDONJSA-N 0 0 311.407 0.971 10 30 DCEERN O=C1C[C@]2(CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C2)CN1 ZINC000329494575 396845645 /nfs/dbraw/zinc/84/56/45/396845645.db2.gz UOMPVJZFGHKZDR-MISXGVKJSA-N 0 0 320.353 0.184 10 30 DCEERN C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)OC)C2)nn1 ZINC000600371556 396811486 /nfs/dbraw/zinc/81/14/86/396811486.db2.gz IASSQUQNSTWPEE-PWSUYJOCSA-N 0 0 308.338 0.257 10 30 DCEERN C=CCOCCNC(=O)N1CCC([C@H](O)C(=O)OC)CC1 ZINC000611564392 396887423 /nfs/dbraw/zinc/88/74/23/396887423.db2.gz WSEVOCAMXDBBRD-LBPRGKRZSA-N 0 0 300.355 0.145 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2nccnn2)CC1 ZINC000625638609 396962766 /nfs/dbraw/zinc/96/27/66/396962766.db2.gz HLTRQMRBRBQESQ-CQSZACIVSA-N 0 0 316.409 0.583 10 30 DCEERN C=CC[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000625703622 396982944 /nfs/dbraw/zinc/98/29/44/396982944.db2.gz NUGYDXHEXUSRTO-AWEZNQCLSA-N 0 0 305.422 0.965 10 30 DCEERN C=CCOCCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000618513543 396987501 /nfs/dbraw/zinc/98/75/01/396987501.db2.gz AIDWCEKSBGGIOJ-BETUJISGSA-N 0 0 308.378 0.871 10 30 DCEERN C=CCOCCCNC(=O)c1oc(S(N)(=O)=O)cc1C ZINC000618513527 396987620 /nfs/dbraw/zinc/98/76/20/396987620.db2.gz ABBLWXZTNGCYFE-UHFFFAOYSA-N 0 0 302.352 0.558 10 30 DCEERN C=CCOCCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000618516882 396987675 /nfs/dbraw/zinc/98/76/75/396987675.db2.gz HLMBFMVZPWZBRY-UHFFFAOYSA-N 0 0 323.393 0.950 10 30 DCEERN N#CC1CCC(CNC(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000591722559 396991104 /nfs/dbraw/zinc/99/11/04/396991104.db2.gz UGDYJZTVKYALJN-JXQTWKCFSA-N 0 0 307.394 0.806 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn(CC(=O)OC)c1C ZINC000597530105 397002426 /nfs/dbraw/zinc/00/24/26/397002426.db2.gz SQKKVBDZHPWZFG-LBPRGKRZSA-N 0 0 322.365 0.774 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC1=CCSC1 ZINC000611998294 396977961 /nfs/dbraw/zinc/97/79/61/396977961.db2.gz JYKHCRXUGZQNRM-STQMWFEESA-N 0 0 310.419 0.825 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)COCC(C)C ZINC000612413678 397047943 /nfs/dbraw/zinc/04/79/43/397047943.db2.gz DBSRGTOCRMQTHI-KGLIPLIRSA-N 0 0 300.399 0.607 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CC)C2CC2)C1=O ZINC000618952318 397049907 /nfs/dbraw/zinc/04/99/07/397049907.db2.gz HBGXDFBOKBBANG-OAHLLOKOSA-N 0 0 307.350 0.658 10 30 DCEERN COCCN(CCC#N)C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000619521523 397144075 /nfs/dbraw/zinc/14/40/75/397144075.db2.gz RVEPWZDMCLMZCO-UHFFFAOYSA-N 0 0 321.381 0.871 10 30 DCEERN C[C@H](C(=O)Nc1cnn(Cc2ccccn2)c1)n1cnc(C#N)n1 ZINC000619590432 397154336 /nfs/dbraw/zinc/15/43/36/397154336.db2.gz LRQPYSSSORAQHL-LLVKDONJSA-N 0 0 322.332 0.989 10 30 DCEERN C[C@@H](C(=O)Nc1cnn(-c2ccccn2)c1)n1cnc(C#N)n1 ZINC000619594064 397154547 /nfs/dbraw/zinc/15/45/47/397154547.db2.gz QHGXIDRPXNYURV-JTQLQIEISA-N 0 0 308.305 0.930 10 30 DCEERN C[C@H](C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)n1cnc(C#N)n1 ZINC000619595780 397155367 /nfs/dbraw/zinc/15/53/67/397155367.db2.gz BQVVJVONEFTGPJ-NEPJUHHUSA-N 0 0 313.365 0.535 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)OC ZINC000601502901 397156290 /nfs/dbraw/zinc/15/62/90/397156290.db2.gz WBSSARRJDPJYJE-NEPJUHHUSA-N 0 0 305.396 0.983 10 30 DCEERN C[C@@H](C(=O)Nc1ccc2c(c1)CC(=O)N2C)n1cnc(C#N)n1 ZINC000619599946 397156505 /nfs/dbraw/zinc/15/65/05/397156505.db2.gz RMHZPDSHAHPXSR-VIFPVBQESA-N 0 0 310.317 0.868 10 30 DCEERN C[C@H](C(=O)NCc1nn(C)c2ccccc12)n1cnc(C#N)n1 ZINC000619598960 397156553 /nfs/dbraw/zinc/15/65/53/397156553.db2.gz DQPCZQOUFKFBSG-SNVBAGLBSA-N 0 0 309.333 0.914 10 30 DCEERN C[C@@H](C(=O)NC[C@H](O)COc1ccccc1)n1cnc(C#N)n1 ZINC000619614377 397159871 /nfs/dbraw/zinc/15/98/71/397159871.db2.gz SSVGLTYPWLXEFQ-RYUDHWBXSA-N 0 0 315.333 0.267 10 30 DCEERN C[C@@H](C(=O)N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1)n1cnc(C#N)n1 ZINC000619617393 397162028 /nfs/dbraw/zinc/16/20/28/397162028.db2.gz CYGYWNNQVKOUIN-NWJSVONSSA-N 0 0 319.365 0.506 10 30 DCEERN C=C[C@H](O)C(=O)N[C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000597827569 397115213 /nfs/dbraw/zinc/11/52/13/397115213.db2.gz CLRGNWHXFVJVOI-STQMWFEESA-N 0 0 306.362 0.998 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2nc(C3CC3)no2)CC1 ZINC000631313225 397206783 /nfs/dbraw/zinc/20/67/83/397206783.db2.gz NVQCIRDXOARIKE-UHFFFAOYSA-N 0 0 319.365 0.007 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC000613181244 397211663 /nfs/dbraw/zinc/21/16/63/397211663.db2.gz KIBGXYRYPITNLZ-AWEZNQCLSA-N 0 0 309.410 0.961 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000620055250 397229206 /nfs/dbraw/zinc/22/92/06/397229206.db2.gz LEZFRRUXROUCCK-LBPRGKRZSA-N 0 0 316.423 0.541 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cn(C2CCOCC2)nn1)C(=O)OC ZINC000601782932 397244266 /nfs/dbraw/zinc/24/42/66/397244266.db2.gz SFUWCGXNBDQBND-LBPRGKRZSA-N 0 0 322.365 0.867 10 30 DCEERN C=CCNC(=O)NC(=O)CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000598949679 397313153 /nfs/dbraw/zinc/31/31/53/397313153.db2.gz MBDAULJFCXLBNO-NSHDSACASA-N 0 0 316.361 0.841 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC000613414147 397256353 /nfs/dbraw/zinc/25/63/53/397256353.db2.gz RSOPFABOSGAGSG-NWDGAFQWSA-N 0 0 308.338 0.440 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1=O ZINC000626849292 397260404 /nfs/dbraw/zinc/26/04/04/397260404.db2.gz SMJXEQOUMQCYFU-KGLIPLIRSA-N 0 0 316.405 0.999 10 30 DCEERN C=C(C)C[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)OC ZINC000602195428 397340832 /nfs/dbraw/zinc/34/08/32/397340832.db2.gz LDXYSYLFPWMIIK-MNOVXSKESA-N 0 0 303.380 0.578 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1cccnc1 ZINC000613990292 397358260 /nfs/dbraw/zinc/35/82/60/397358260.db2.gz QMPQURBVWOCPKI-HOTGVXAUSA-N 0 0 319.405 0.820 10 30 DCEERN CC(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599310684 397399428 /nfs/dbraw/zinc/39/94/28/397399428.db2.gz ZUNMLWRJVQXOHH-HIFRSBDPSA-N 0 0 309.410 0.610 10 30 DCEERN C=CCCn1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)nn1 ZINC000424893699 397403098 /nfs/dbraw/zinc/40/30/98/397403098.db2.gz PGIVPMREJYVVJM-STQMWFEESA-N 0 0 307.398 0.381 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593612229 397409083 /nfs/dbraw/zinc/40/90/83/397409083.db2.gz ZGNRSXSURFDGDD-ONGXEEELSA-N 0 0 313.335 0.859 10 30 DCEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCNC1=O ZINC000129381852 158288220 /nfs/dbraw/zinc/28/82/20/158288220.db2.gz LMMBOKPVDOOBMY-UHFFFAOYSA-N 0 0 310.317 0.677 10 30 DCEERN Cn1cc(C(N)=O)cc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130290982 158294567 /nfs/dbraw/zinc/29/45/67/158294567.db2.gz SZDDGBCHHJZRKJ-UHFFFAOYSA-N 0 0 324.340 0.899 10 30 DCEERN N#Cc1c(F)cccc1OCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000132131334 158308056 /nfs/dbraw/zinc/30/80/56/158308056.db2.gz 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/nfs/dbraw/zinc/60/01/01/415600101.db2.gz VXYAENFBFWXOKM-UWVGGRQHSA-N 0 0 313.354 0.911 10 30 DCEERN C=C(Cl)CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000287409998 415667778 /nfs/dbraw/zinc/66/77/78/415667778.db2.gz LIMIUNMAQWNSBJ-SNVBAGLBSA-N 0 0 309.819 0.804 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111343639 415693118 /nfs/dbraw/zinc/69/31/18/415693118.db2.gz HDZOQAVGYUXLQN-JTQLQIEISA-N 0 0 316.408 0.607 10 30 DCEERN COc1cccc(CS(=O)(=O)N2CCN(CC#N)CC2)c1 ZINC000117915751 415733516 /nfs/dbraw/zinc/73/35/16/415733516.db2.gz IZQRSJUMCPNBNP-UHFFFAOYSA-N 0 0 309.391 0.666 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000289352666 415706472 /nfs/dbraw/zinc/70/64/72/415706472.db2.gz HBURZGMCLOXJJU-LBPRGKRZSA-N 0 0 312.366 0.107 10 30 DCEERN C[C@H](C#N)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000120624202 415777901 /nfs/dbraw/zinc/77/79/01/415777901.db2.gz FJVDBQITSVQQDG-QLJPJBMISA-N 0 0 312.329 0.408 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000122997781 415840448 /nfs/dbraw/zinc/84/04/48/415840448.db2.gz WHTAAAAAWKEFKF-MRVPVSSYSA-N 0 0 301.290 0.076 10 30 DCEERN C=CC[C@@H](CO)NC(=O)COCCNC(=O)c1ccccc1 ZINC000337025461 415891034 /nfs/dbraw/zinc/89/10/34/415891034.db2.gz CEUVHURRHNQPSP-AWEZNQCLSA-N 0 0 306.362 0.486 10 30 DCEERN C#CCSCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000130774196 415922576 /nfs/dbraw/zinc/92/25/76/415922576.db2.gz AZMLLDKQMDCJCT-UHFFFAOYSA-N 0 0 301.371 0.879 10 30 DCEERN C=CCN1CC[C@H](N(C)Cc2csc(CC(=O)NC)n2)C1=O ZINC000337204411 415927117 /nfs/dbraw/zinc/92/71/17/415927117.db2.gz HUBSYJXKNBZGCY-LBPRGKRZSA-N 0 0 322.434 0.650 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N(C)CC(F)(F)F)CC1 ZINC000336890439 415852875 /nfs/dbraw/zinc/85/28/75/415852875.db2.gz IZTBKRGMBXLWQH-UHFFFAOYSA-N 0 0 322.331 0.520 10 30 DCEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)CO ZINC000337560495 415977169 /nfs/dbraw/zinc/97/71/69/415977169.db2.gz SBTNKINXMNYIQF-MRXNPFEDSA-N 0 0 306.362 0.603 10 30 DCEERN C=CC[C@H](CO)CNC(=O)Nc1nn(C)cc1C(=O)OCC 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C[C@H](C#N)CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000175169172 416099856 /nfs/dbraw/zinc/09/98/56/416099856.db2.gz PLCRPMNOLUJCON-SECBINFHSA-N 0 0 302.377 0.528 10 30 DCEERN CC(C)[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCOCC1 ZINC000175733486 416112475 /nfs/dbraw/zinc/11/24/75/416112475.db2.gz STXQTEKBLWPGGG-CYBMUJFWSA-N 0 0 304.350 0.500 10 30 DCEERN Cc1c(C(=O)N2CCOC[C@@H]2C#N)cccc1N1CCNC1=O ZINC000175905438 416116626 /nfs/dbraw/zinc/11/66/26/416116626.db2.gz VYODHVXHLBQILQ-LBPRGKRZSA-N 0 0 314.345 0.889 10 30 DCEERN CS[C@H](C)CNC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328654978 416125331 /nfs/dbraw/zinc/12/53/31/416125331.db2.gz XXDRIVWBFIHQAI-MNOVXSKESA-N 0 0 318.443 0.820 10 30 DCEERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC000328910985 416139171 /nfs/dbraw/zinc/13/91/71/416139171.db2.gz NVAVJKVJWMGDBZ-WDEREUQCSA-N 0 0 301.412 0.585 10 30 DCEERN C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2nnnn2C)CC1 ZINC000328980427 416143090 /nfs/dbraw/zinc/14/30/90/416143090.db2.gz DIBCMOIOTMKRTL-GFCCVEGCSA-N 0 0 321.429 0.615 10 30 DCEERN Cn1nccc1[C@H]1[C@H](NC(=O)N2CCSCC2)CC(=O)N1C ZINC000329094828 416149803 /nfs/dbraw/zinc/14/98/03/416149803.db2.gz XRXYGBSLEDJBRL-ZWNOBZJWSA-N 0 0 323.422 0.655 10 30 DCEERN CC[C@]1(CO)CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329380700 416167375 /nfs/dbraw/zinc/16/73/75/416167375.db2.gz NQLKQPGSSXGKEU-GUTXKFCHSA-N 0 0 323.397 0.617 10 30 DCEERN CC[C@@]1(C)CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329413981 416167851 /nfs/dbraw/zinc/16/78/51/416167851.db2.gz CSAHAYBPJSJIQC-SCRDCRAPSA-N 0 0 309.370 0.633 10 30 DCEERN [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000329451060 416171792 /nfs/dbraw/zinc/17/17/92/416171792.db2.gz LNEAKUYVDYOTKC-RFQIPJPRSA-N 0 0 321.381 0.490 10 30 DCEERN COC(=O)[C@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179000054 416179604 /nfs/dbraw/zinc/17/96/04/416179604.db2.gz APJABRBRFHTFAL-CQSZACIVSA-N 0 0 322.386 0.969 10 30 DCEERN C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329643051 416182035 /nfs/dbraw/zinc/18/20/35/416182035.db2.gz YOLKBROPDIYIMJ-OLZOCXBDSA-N 0 0 314.407 0.199 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NCCCCSC)C1=O ZINC000346023761 416186161 /nfs/dbraw/zinc/18/61/61/416186161.db2.gz IWQRFLMHZXJIGX-UHFFFAOYSA-N 0 0 313.379 0.223 10 30 DCEERN C[C@H](CN1CCOCC1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000329755074 416188642 /nfs/dbraw/zinc/18/86/42/416188642.db2.gz LGSVMYZSJWYWTN-SNVBAGLBSA-N 0 0 312.370 0.834 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000341433096 416208986 /nfs/dbraw/zinc/20/89/86/416208986.db2.gz MOSGKKRCKPCJLS-GFCCVEGCSA-N 0 0 316.361 0.882 10 30 DCEERN Cn1cc(CN2CCN(C(=O)NCC3(C)COC3)CC2)cn1 ZINC000329286922 416161227 /nfs/dbraw/zinc/16/12/27/416161227.db2.gz OWLUPWVROAZXSW-UHFFFAOYSA-N 0 0 307.398 0.488 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)CC2(O)CCCC2)CC1 ZINC000330842171 416241427 /nfs/dbraw/zinc/24/14/27/416241427.db2.gz SVUURRSXZXRLKT-UHFFFAOYSA-N 0 0 309.410 0.128 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1c(C)nn(COC)c1C ZINC000350003367 416264135 /nfs/dbraw/zinc/26/41/35/416264135.db2.gz AFVSYVMRKNXTPA-NSHDSACASA-N 0 0 303.384 0.319 10 30 DCEERN C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(C2CCC2)n1C ZINC000350177820 416265035 /nfs/dbraw/zinc/26/50/35/416265035.db2.gz UTQSGCFEHKVXCI-SECBINFHSA-N 0 0 312.395 0.547 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000189649662 416267699 /nfs/dbraw/zinc/26/76/99/416267699.db2.gz MOJNXLAFXJDEKC-SECBINFHSA-N 0 0 311.338 0.461 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000350322418 416267728 /nfs/dbraw/zinc/26/77/28/416267728.db2.gz UTBHMOALIQTBBI-LLVKDONJSA-N 0 0 313.375 0.997 10 30 DCEERN C#CCCCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192179487 416301828 /nfs/dbraw/zinc/30/18/28/416301828.db2.gz UTBYRVWWXUIANX-DZGCQCFKSA-N 0 0 306.318 0.909 10 30 DCEERN CCS(=O)(=O)N1CCC(NC(=O)c2ccnc(C#N)c2)CC1 ZINC000192496974 416306730 /nfs/dbraw/zinc/30/67/30/416306730.db2.gz QRXBEWBTFFTTSP-UHFFFAOYSA-N 0 0 322.390 0.497 10 30 DCEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000416279290 416362980 /nfs/dbraw/zinc/36/29/80/416362980.db2.gz BDWSVVNNDFXMFO-JNSHFYNHSA-N 0 0 324.402 0.794 10 30 DCEERN N#Cc1ccc(NC[C@@H](O)C(F)F)nc1NC[C@@H](O)C(F)F ZINC000435603155 416525553 /nfs/dbraw/zinc/52/55/53/416525553.db2.gz HASHFNLVCZFXNF-HTQZYQBOSA-N 0 0 322.262 1.029 10 30 DCEERN N#Cc1ccc(NC[C@H](O)C(F)F)nc1NC[C@@H](O)C(F)F ZINC000435603156 416525816 /nfs/dbraw/zinc/52/58/16/416525816.db2.gz HASHFNLVCZFXNF-JGVFFNPUSA-N 0 0 322.262 1.029 10 30 DCEERN N#C[C@@H]1CN(C(=O)Nc2nnc3ccccn32)CCN1C1CC1 ZINC000365302028 416601223 /nfs/dbraw/zinc/60/12/23/416601223.db2.gz GKFAKJBXXXGLKB-GFCCVEGCSA-N 0 0 311.349 0.933 10 30 DCEERN C=C[C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000596540931 416584335 /nfs/dbraw/zinc/58/43/35/416584335.db2.gz WSDFEUALEIVAMK-SNVBAGLBSA-N 0 0 322.365 0.854 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000615058765 416747590 /nfs/dbraw/zinc/74/75/90/416747590.db2.gz 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416968447 /nfs/dbraw/zinc/96/84/47/416968447.db2.gz AHSBHSSOZBOOOX-ZIAGYGMSSA-N 0 0 324.425 0.720 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000374460023 416979860 /nfs/dbraw/zinc/97/98/60/416979860.db2.gz DNBQXMRFMCWARN-JHJVBQTASA-N 0 0 301.412 0.966 10 30 DCEERN C[Si](C)(C)CCOCn1cc(N2C=CC(=O)[C@H](CO)N2)cn1 ZINC000616214996 416989991 /nfs/dbraw/zinc/98/99/91/416989991.db2.gz QLCGLRVYUZBHSG-ZDUSSCGKSA-N 0 0 324.457 0.964 10 30 DCEERN C=CC[C@H](CO)NC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000521214359 416995520 /nfs/dbraw/zinc/99/55/20/416995520.db2.gz IVIVYDNTOQCCJZ-LLVKDONJSA-N 0 0 301.346 0.793 10 30 DCEERN C=CCn1cc(CNC(=O)CN2C(=O)Cc3ccccc32)nn1 ZINC000616410893 417041547 /nfs/dbraw/zinc/04/15/47/417041547.db2.gz NKOVDAJSLIJLNQ-UHFFFAOYSA-N 0 0 311.345 0.670 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000522035653 417043052 /nfs/dbraw/zinc/04/30/52/417043052.db2.gz CUAXKLVNLNSGME-VIFPVBQESA-N 0 0 319.317 0.123 10 30 DCEERN 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315.377 0.962 10 30 DCEERN C=CCN(CCOC)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000357765867 526291428 /nfs/dbraw/zinc/29/14/28/526291428.db2.gz UJXDMLVSCAWGFH-LLVKDONJSA-N 0 0 304.412 0.796 10 30 DCEERN CC#CCCCC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000365763972 526291917 /nfs/dbraw/zinc/29/19/17/526291917.db2.gz OTOUJLMXJBWAPD-UHFFFAOYSA-N 0 0 315.439 0.521 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1=O ZINC000374061528 526491244 /nfs/dbraw/zinc/49/12/44/526491244.db2.gz NULDWTGNJQRPRE-AWEZNQCLSA-N 0 0 321.421 0.487 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115323436 526535425 /nfs/dbraw/zinc/53/54/25/526535425.db2.gz CKIMUVQKHIPVJK-UHFFFAOYSA-N 0 0 313.361 0.013 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1ccc2ncsc2c1 ZINC000356629696 526570636 /nfs/dbraw/zinc/57/06/36/526570636.db2.gz VUMQNVSMFYGENC-UHFFFAOYSA-N 0 0 311.388 0.877 10 30 DCEERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370973898 526679107 /nfs/dbraw/zinc/67/91/07/526679107.db2.gz 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/nfs/dbraw/zinc/79/27/28/526792728.db2.gz JORGQWXXCJRQMR-SNVBAGLBSA-N 0 0 304.306 0.203 10 30 DCEERN C=CCOC[C@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)OC ZINC000360747763 526801841 /nfs/dbraw/zinc/80/18/41/526801841.db2.gz UDVZQEKYGWKOLZ-LBPRGKRZSA-N 0 0 309.293 0.869 10 30 DCEERN C=C(CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O)C(=O)OCC ZINC000276666567 526862810 /nfs/dbraw/zinc/86/28/10/526862810.db2.gz SMUJUZMXSDMVGP-AWEZNQCLSA-N 0 0 306.322 0.306 10 30 DCEERN C=CC[C@@H](C)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000357563860 527031769 /nfs/dbraw/zinc/03/17/69/527031769.db2.gz QXPYEGICQQOTME-LLVKDONJSA-N 0 0 324.468 0.542 10 30 DCEERN C#CCOCCC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000372198505 527062387 /nfs/dbraw/zinc/06/23/87/527062387.db2.gz BMDBUMFURUJJJE-UHFFFAOYSA-N 0 0 319.361 0.744 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000185832922 527099848 /nfs/dbraw/zinc/09/98/48/527099848.db2.gz OHBCSZGULXZFEH-ZDUSSCGKSA-N 0 0 324.402 0.794 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCOC2)c1 ZINC000264695233 527120841 /nfs/dbraw/zinc/12/08/41/527120841.db2.gz DXGKHZRYLOPMEA-CYBMUJFWSA-N 0 0 302.330 0.932 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](O)C[C@H]1CO ZINC000377254056 527172283 /nfs/dbraw/zinc/17/22/83/527172283.db2.gz ZTRZULMBOYEJIR-OWCLPIDISA-N 0 0 302.374 0.758 10 30 DCEERN C=CCCCN(C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000277177995 527183755 /nfs/dbraw/zinc/18/37/55/527183755.db2.gz ZKVRFLRQOYYTPY-UHFFFAOYSA-N 0 0 306.432 0.426 10 30 DCEERN C=CC[C@H](CO)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000185864264 527194456 /nfs/dbraw/zinc/19/44/56/527194456.db2.gz APIVZMBXGBBPGW-GFCCVEGCSA-N 0 0 321.333 0.686 10 30 DCEERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408341222 527847697 /nfs/dbraw/zinc/84/76/97/527847697.db2.gz QMLUFSVROGBIBJ-UTUOFQBUSA-N 0 0 315.395 0.541 10 30 DCEERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000378137248 528371400 /nfs/dbraw/zinc/37/14/00/528371400.db2.gz GLMOXBSACSTWQM-GXTWGEPZSA-N 0 0 319.409 0.379 10 30 DCEERN CC1(C)CCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)[C@@H]1C#N ZINC000408119578 528930710 /nfs/dbraw/zinc/93/07/10/528930710.db2.gz LHBFROUULQANNJ-GFCCVEGCSA-N 0 0 322.390 0.883 10 30 DCEERN CC(C)N1C[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)CC1=O ZINC000329125297 529097573 /nfs/dbraw/zinc/09/75/73/529097573.db2.gz MFMCYAALFXPALR-OLZOCXBDSA-N 0 0 320.397 0.666 10 30 DCEERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233725 529164858 /nfs/dbraw/zinc/16/48/58/529164858.db2.gz XQGPUJORCMXKFV-OUCADQQQSA-N 0 0 321.425 0.671 10 30 DCEERN CCN1CCN(CC(=O)N[C@H](C)C[C@H]2CCCO2)C(=O)C1=O ZINC000328708890 546039026 /nfs/dbraw/zinc/03/90/26/546039026.db2.gz QNSMABRLLFIEKZ-VXGBXAGGSA-N 0 0 311.382 0.591 10 30 DCEERN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)[nH]n1 ZINC000329677103 546054111 /nfs/dbraw/zinc/05/41/11/546054111.db2.gz VBGRSAWZZVWHPC-HOTUBEGUSA-N 0 0 314.411 0.586 10 30 DCEERN C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(C)(C)C#N ZINC000255696168 658474961 /nfs/dbraw/zinc/47/49/61/658474961.db2.gz BHRXPAUHLRKSQE-JYESYGNLSA-N 0 0 305.334 0.579 10 30 DCEERN C#CC[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000255288760 658514502 /nfs/dbraw/zinc/51/45/02/658514502.db2.gz ZXNGQFNMHTXFPK-LJTDUEICSA-N 0 0 302.330 0.442 10 30 DCEERN C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCC(C)=O)cc1 ZINC000135584628 658632896 /nfs/dbraw/zinc/63/28/96/658632896.db2.gz AACLHPBOLZVDJG-UHFFFAOYSA-N 0 0 322.386 0.649 10 30 DCEERN Cc1nc(C[C@@H]2CCCN(C(=O)NCc3cnnn3C)C2)no1 ZINC000329326206 659165832 /nfs/dbraw/zinc/16/58/32/659165832.db2.gz WMJJYKRNHZQKEU-NSHDSACASA-N 0 0 319.369 0.875 10 30 DCEERN C=CCN(CC(=O)OCC)C(=O)[C@H]1CSCN1C(=O)CC ZINC000727993822 662333474 /nfs/dbraw/zinc/33/34/74/662333474.db2.gz LHCRZYUWHNZIBM-LLVKDONJSA-N 0 0 314.407 0.876 10 30 DCEERN C#CCNC(=O)COC(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000728376572 662389066 /nfs/dbraw/zinc/38/90/66/662389066.db2.gz HIAGAEJZXLYJKY-UHFFFAOYSA-N 0 0 323.370 0.315 10 30 DCEERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C ZINC000227812882 664539029 /nfs/dbraw/zinc/53/90/29/664539029.db2.gz WNUJOMZHLSNIEO-CMPLNLGQSA-N 0 0 308.359 0.988 10 30 DCEERN C#CCN(C(=O)c1ccc(F)cc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000062822819 664624077 /nfs/dbraw/zinc/62/40/77/664624077.db2.gz WLPIESNYZSVMCP-LLVKDONJSA-N 0 0 310.350 0.670 10 30 DCEERN C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000732175987 664907799 /nfs/dbraw/zinc/90/77/99/664907799.db2.gz IFZXTIRECLZROS-CVEARBPZSA-N 0 0 317.433 0.945 10 30 DCEERN N#C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)CCN1C1CC1 ZINC000732664700 664950423 /nfs/dbraw/zinc/95/04/23/664950423.db2.gz NJVVWYQJCGOQHV-CQSZACIVSA-N 0 0 323.360 0.475 10 30 DCEERN N#C[C@@H]1CN(S(=O)(=O)c2ccccc2C=O)CCN1C1CC1 ZINC000732668853 664951041 /nfs/dbraw/zinc/95/10/41/664951041.db2.gz ARXUTNTWXIWLRU-CQSZACIVSA-N 0 0 319.386 0.860 10 30 DCEERN C=CCn1nnn(CN2CCN(C3CC3)[C@@H](C#N)C2)c1=S ZINC000732666189 664951164 /nfs/dbraw/zinc/95/11/64/664951164.db2.gz KYGXTWUEPTWEHC-LBPRGKRZSA-N 0 0 305.411 0.625 10 30 DCEERN CCCC[C@@H]1NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000732672190 664951272 /nfs/dbraw/zinc/95/12/72/664951272.db2.gz FPEQZSYFVLMJEG-KBPBESRZSA-N 0 0 319.409 0.727 10 30 DCEERN C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732669930 664951375 /nfs/dbraw/zinc/95/13/75/664951375.db2.gz RKYUWLJCFFWILN-FZMZJTMJSA-N 0 0 312.439 0.634 10 30 DCEERN C#CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000733287369 666474349 /nfs/dbraw/zinc/47/43/49/666474349.db2.gz DRIYWJSTTSHYKC-UHFFFAOYSA-N 0 0 306.796 0.819 10 30 DCEERN C#CCCNC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC ZINC000733287727 666474551 /nfs/dbraw/zinc/47/45/51/666474551.db2.gz OITKYBVQHRNCGN-UHFFFAOYSA-N 0 0 306.274 0.934 10 30 DCEERN C#CCCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000733641961 666782084 /nfs/dbraw/zinc/78/20/84/666782084.db2.gz SEMATTVCUHOFFH-UHFFFAOYSA-N 0 0 301.412 0.561 10 30 DCEERN C#Cc1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)nc1 ZINC000733972502 666833826 /nfs/dbraw/zinc/83/38/26/666833826.db2.gz RUOWMKZAKLDZMA-UHFFFAOYSA-N 0 0 319.430 0.636 10 30 DCEERN C#CCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000734845269 666915575 /nfs/dbraw/zinc/91/55/75/666915575.db2.gz MGZQQTKQXUVFFV-UHFFFAOYSA-N 0 0 301.389 0.533 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(C#N)cnn2)[C@H](O)C1 ZINC000702832304 667001161 /nfs/dbraw/zinc/00/11/61/667001161.db2.gz PWCDGVJAFHWDIR-VXGBXAGGSA-N 0 0 319.365 0.988 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)[C@H](O)C2CCOCC2)c1 ZINC000735878104 667049891 /nfs/dbraw/zinc/04/98/91/667049891.db2.gz DDELBLGXJYXGMS-MRXNPFEDSA-N 0 0 316.357 0.510 10 30 DCEERN C#CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000123984117 667873407 /nfs/dbraw/zinc/87/34/07/667873407.db2.gz IWHKGDFXHDUNEZ-UHFFFAOYSA-N 0 0 322.386 0.524 10 30 DCEERN CCCC(=O)NCC(=O)[C@H](C#N)C(=O)NCc1ccccc1 ZINC000105756536 672217356 /nfs/dbraw/zinc/21/73/56/672217356.db2.gz RNKYHRWOTGYFHD-ZDUSSCGKSA-N 0 0 301.346 0.928 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)NCC2OCCCO2)c1 ZINC000720327013 685312749 /nfs/dbraw/zinc/31/27/49/685312749.db2.gz SAGJUPJUBUEWNK-UHFFFAOYSA-N 0 0 300.311 0.739 10 30 DCEERN CN1C[C@H](NS(=O)(=O)c2cccc(F)c2C#N)CCC1=O ZINC000084092164 685085708 /nfs/dbraw/zinc/08/57/08/685085708.db2.gz PNALBYSBLVSNGA-SECBINFHSA-N 0 0 311.338 0.596 10 30 DCEERN N#CCSc1ccccc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000089755258 685101131 /nfs/dbraw/zinc/10/11/31/685101131.db2.gz ZEKJLFJMWKNUPF-SNVBAGLBSA-N 0 0 303.343 0.837 10 30 DCEERN C#CCN(C(=O)c1cnc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000227835052 1157716818 /nfs/dbraw/zinc/71/68/18/1157716818.db2.gz LISPFQHKOYVDDT-SECBINFHSA-N 0 0 313.766 0.393 10 30 DCEERN C#CCN(C(=O)c1cncc(Cl)n1)[C@H]1CCS(=O)(=O)C1 ZINC000236059092 1180566839 /nfs/dbraw/zinc/56/68/39/1180566839.db2.gz ZFQMUXGXPXGLRL-VIFPVBQESA-N 0 0 313.766 0.393 10 30 DCEERN C=CCC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000320086585 1190436755 /nfs/dbraw/zinc/43/67/55/1190436755.db2.gz CJXRWXZMOCNAFO-JTQLQIEISA-N 0 0 316.379 0.587 10 30 DCEERN C#CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000717821693 951715480 /nfs/dbraw/zinc/71/54/80/951715480.db2.gz DVDPCAFDXGMUQL-VIFPVBQESA-N 0 0 318.738 0.911 10 30 DCEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](C#N)C1 ZINC000408446829 529750404 /nfs/dbraw/zinc/75/04/04/529750404.db2.gz RFTYSRQQFHQWHO-WDEREUQCSA-N 0 0 304.354 0.609 10 30 DCEERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)C(C)C ZINC000179080014 529918766 /nfs/dbraw/zinc/91/87/66/529918766.db2.gz WBVHYZGLTNYXDA-CYBMUJFWSA-N 0 0 316.361 0.692 10 30 DCEERN N#Cc1ccc(C(=O)N[C@@H]2[C@@H](c3cncnc3)C[C@@H](O)[C@H]2O)cc1 ZINC000072321789 191121928 /nfs/dbraw/zinc/12/19/28/191121928.db2.gz YZMSBSSWHBZKOW-KLHDSHLOSA-N 0 0 324.340 0.356 10 30 DCEERN N#Cc1cnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000106463727 283231899 /nfs/dbraw/zinc/23/18/99/283231899.db2.gz NSCZKJFWYCZTOD-LBPRGKRZSA-N 0 0 301.350 0.423 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000180292288 199142606 /nfs/dbraw/zinc/14/26/06/199142606.db2.gz AYORWLKCVUDBKU-LBPRGKRZSA-N 0 0 321.402 0.973 10 30 DCEERN N#C[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173577383 237161192 /nfs/dbraw/zinc/16/11/92/237161192.db2.gz XNIBEOUDNSZQFB-SSDOTTSWSA-N 0 0 303.321 0.569 10 30 DCEERN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1CCO ZINC000187689774 237354134 /nfs/dbraw/zinc/35/41/34/237354134.db2.gz VTBGROKMMXHBIE-CYBMUJFWSA-N 0 0 302.378 0.495 10 30 DCEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)[C@H](C)CC#N ZINC000282285423 238374163 /nfs/dbraw/zinc/37/41/63/238374163.db2.gz KCOMUUSGJHLQTQ-KOLCDFICSA-N 0 0 312.399 0.490 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1cn2ccnc2s1 ZINC000329046996 238586194 /nfs/dbraw/zinc/58/61/94/238586194.db2.gz QDPUVSONAUNNTL-DTWKUNHWSA-N 0 0 304.335 0.932 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCO[C@@H](C2CC2)C1 ZINC000329514896 238629421 /nfs/dbraw/zinc/62/94/21/238629421.db2.gz YGYPOMOVZDFSQB-YNEHKIRRSA-N 0 0 307.354 0.243 10 30 DCEERN Cc1ccn(C)c(=O)c1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000361336616 239086762 /nfs/dbraw/zinc/08/67/62/239086762.db2.gz VNTNNCKEONHPQS-ZDUSSCGKSA-N 0 0 315.377 0.898 10 30 DCEERN Cc1noc(CCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000377666402 239240140 /nfs/dbraw/zinc/24/01/40/239240140.db2.gz DKVKEZZEKHUDSL-CYBMUJFWSA-N 0 0 303.366 0.900 10 30 DCEERN Cc1nc(S(=O)(=O)N2CCN(CC#N)CC2)sc1C ZINC000408401965 239267672 /nfs/dbraw/zinc/26/76/72/239267672.db2.gz FVFSIPMMSWEBJN-UHFFFAOYSA-N 0 0 300.409 0.590 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000407957852 239254774 /nfs/dbraw/zinc/25/47/74/239254774.db2.gz PVQIKWBPJLFBMQ-BDAKNGLRSA-N 0 0 315.317 0.322 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)COC(C)(C)CC)CC1 ZINC000457396340 241000180 /nfs/dbraw/zinc/00/01/80/241000180.db2.gz HKDOYGZIWYHHHW-UHFFFAOYSA-N 0 0 311.426 0.638 10 30 DCEERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C#N)CC1 ZINC000408375937 291379643 /nfs/dbraw/zinc/37/96/43/291379643.db2.gz QLEUEQWULGHVFC-NEPJUHHUSA-N 0 0 300.380 0.893 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000273557118 210867588 /nfs/dbraw/zinc/86/75/88/210867588.db2.gz XGMFNJLPPGDZQV-SECBINFHSA-N 0 0 316.335 0.819 10 30 DCEERN N#Cc1ncccc1S(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000349980181 254306943 /nfs/dbraw/zinc/30/69/43/254306943.db2.gz YYZIZILDOCMKBS-SECBINFHSA-N 0 0 309.269 0.545 10 30 DCEERN CC(=O)N1CC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000350159252 254312344 /nfs/dbraw/zinc/31/23/44/254312344.db2.gz LOFHHGDTOVIERB-UHFFFAOYSA-N 0 0 313.361 0.080 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000374538414 533396766 /nfs/dbraw/zinc/39/67/66/533396766.db2.gz RAGYVWSNAWVNGN-WCQYABFASA-N 0 0 311.411 0.137 10 30 DCEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000366563925 533423783 /nfs/dbraw/zinc/42/37/83/533423783.db2.gz YTXNFTOZGOTBBR-QJPTWQEYSA-N 0 0 315.395 0.276 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000375690778 533605348 /nfs/dbraw/zinc/60/53/48/533605348.db2.gz ICPSETCVIAAEJS-WYUUTHIRSA-N 0 0 314.411 0.064 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C[C@H]21 ZINC000284652503 131100887 /nfs/dbraw/zinc/10/08/87/131100887.db2.gz MHEYOPAQTBKKNV-CABCVRRESA-N 0 0 321.402 0.652 10 30 DCEERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000284987297 131128992 /nfs/dbraw/zinc/12/89/92/131128992.db2.gz RUHURFLVLDYOGG-KRWDZBQOSA-N 0 0 313.357 0.821 10 30 DCEERN N#Cc1ccsc1NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000293838125 131774606 /nfs/dbraw/zinc/77/46/06/131774606.db2.gz STQLUEIKIOIQEP-CQSZACIVSA-N 0 0 321.358 0.576 10 30 DCEERN C#CCNC(=O)[C@@H](C)N1CCCN(c2ncccc2C#N)CC1 ZINC000098136841 395762139 /nfs/dbraw/zinc/76/21/39/395762139.db2.gz MTRLIKZSIGSNCQ-CQSZACIVSA-N 0 0 311.389 0.603 10 30 DCEERN CCOC(=O)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194891718 395811440 /nfs/dbraw/zinc/81/14/40/395811440.db2.gz UOPHETPAZDNJGR-AWEZNQCLSA-N 0 0 301.346 0.812 10 30 DCEERN C[C@@H](CCNS(=O)(=O)c1cccnc1C#N)[S@@](C)=O ZINC000235077737 395892080 /nfs/dbraw/zinc/89/20/80/395892080.db2.gz HYIJANODWWAWCJ-NIVTXAMTSA-N 0 0 301.393 0.389 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000273395278 395918543 /nfs/dbraw/zinc/91/85/43/395918543.db2.gz HIKQQIZZHHWIQP-LLVKDONJSA-N 0 0 303.318 0.559 10 30 DCEERN COC(=O)[C@@H]1CS(=O)(=O)CCN1CCCC(C)(C)C#N ZINC000129516821 395920383 /nfs/dbraw/zinc/92/03/83/395920383.db2.gz RHFAMOVFZADIGZ-NSHDSACASA-N 0 0 302.396 0.588 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccnc2c(C(=O)OCC)cnn21 ZINC000273517892 395926705 /nfs/dbraw/zinc/92/67/05/395926705.db2.gz SWNZYDRZGLCRED-JTQLQIEISA-N 0 0 318.333 0.573 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000273517466 395926711 /nfs/dbraw/zinc/92/67/11/395926711.db2.gz NGYDAJWODYGJKB-MNOVXSKESA-N 0 0 301.368 0.060 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000053423624 395883694 /nfs/dbraw/zinc/88/36/94/395883694.db2.gz UQMUNBKSINSZTN-AWEZNQCLSA-N 0 0 310.442 0.067 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCC[C@H](C)O)cc2C1=O ZINC000136111442 395944674 /nfs/dbraw/zinc/94/46/74/395944674.db2.gz CRKLXIKYDGPYQN-JTQLQIEISA-N 0 0 302.330 0.969 10 30 DCEERN C=CCNC(=O)[C@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000060569122 395962707 /nfs/dbraw/zinc/96/27/07/395962707.db2.gz IQTSHWGXFRIBHI-LBPRGKRZSA-N 0 0 305.382 0.298 10 30 DCEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000182795537 396254110 /nfs/dbraw/zinc/25/41/10/396254110.db2.gz JWSBYOMGCYPKNS-CHWSQXEVSA-N 0 0 308.382 0.426 10 30 DCEERN CCN1C[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O ZINC000183678869 396273424 /nfs/dbraw/zinc/27/34/24/396273424.db2.gz QVWVJQOPHLEPHJ-GFCCVEGCSA-N 0 0 324.344 0.946 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC=CCC2)CC1 ZINC000077641063 396227942 /nfs/dbraw/zinc/22/79/42/396227942.db2.gz JPHCPNBJPPJUJZ-AWEZNQCLSA-N 0 0 306.410 0.725 10 30 DCEERN N#Cc1cccnc1N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185152421 396319758 /nfs/dbraw/zinc/31/97/58/396319758.db2.gz 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/nfs/dbraw/zinc/65/58/39/396655839.db2.gz RGBNCLPESJJFDJ-HNNXBMFYSA-N 0 0 309.333 0.439 10 30 DCEERN C[C@H](O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000588339543 396684873 /nfs/dbraw/zinc/68/48/73/396684873.db2.gz DXVLMCVMLKWJTR-LBPRGKRZSA-N 0 0 320.368 0.905 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCN(C(C)=O)CC1 ZINC000624987385 396741078 /nfs/dbraw/zinc/74/10/78/396741078.db2.gz TVLWNRQCZMFLKE-UHFFFAOYSA-N 0 0 315.381 0.913 10 30 DCEERN Cc1cccc(CC2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000610716416 396754624 /nfs/dbraw/zinc/75/46/24/396754624.db2.gz JPGBPQAWBLRKJB-UHFFFAOYSA-N 0 0 324.384 0.943 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)NCC(C)(C)C)CC1 ZINC000625041862 396755561 /nfs/dbraw/zinc/75/55/61/396755561.db2.gz BPQDFXAFGPMKHY-UHFFFAOYSA-N 0 0 310.442 0.069 10 30 DCEERN C=CCOC[C@H]1NC(=O)N([C@@H]2CCN(C3CCC3)C2=O)C1=O ZINC000629508415 396773362 /nfs/dbraw/zinc/77/33/62/396773362.db2.gz SLOITEWJTRZKAH-VXGBXAGGSA-N 0 0 307.350 0.263 10 30 DCEERN C=CC[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000617777375 396824996 /nfs/dbraw/zinc/82/49/96/396824996.db2.gz NJPDBYNGSDHZFK-ZDUSSCGKSA-N 0 0 305.382 0.994 10 30 DCEERN C=C(C)[C@H](CO)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000611237406 396841335 /nfs/dbraw/zinc/84/13/35/396841335.db2.gz JSBJPVORKULKJE-AWEZNQCLSA-N 0 0 312.410 0.657 10 30 DCEERN N#Cc1cnc(N2CCC[C@@H]2CS(N)(=O)=O)c(Cl)c1 ZINC000611398616 396861401 /nfs/dbraw/zinc/86/14/01/396861401.db2.gz MLEHRZIGJFTQPZ-SECBINFHSA-N 0 0 300.771 0.864 10 30 DCEERN C=C[C@@H](NC[C@H]1CN(Cc2ccncc2)CCO1)C(=O)OC ZINC000600617567 396901240 /nfs/dbraw/zinc/90/12/40/396901240.db2.gz MIOVRHLWKWCAFI-LSDHHAIUSA-N 0 0 305.378 0.600 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)OC ZINC000611612852 396894731 /nfs/dbraw/zinc/89/47/31/396894731.db2.gz CIDARJYAEOMVIG-UHFFFAOYSA-N 0 0 324.308 0.870 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000625509545 396903663 /nfs/dbraw/zinc/90/36/63/396903663.db2.gz RPKKFENEUXHMHO-ZDUSSCGKSA-N 0 0 309.410 0.248 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NC[C@@H]1CCO[C@H]1C(=C)C ZINC000611885198 396944249 /nfs/dbraw/zinc/94/42/49/396944249.db2.gz KZPKHPKTZABQEV-KBPBESRZSA-N 0 0 310.394 0.793 10 30 DCEERN Cc1nnc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)c(C#N)c1C ZINC000591618014 396944356 /nfs/dbraw/zinc/94/43/56/396944356.db2.gz MZVQCQQCZQWLCL-MRXNPFEDSA-N 0 0 317.393 0.775 10 30 DCEERN C=CCNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC000600890172 396965138 /nfs/dbraw/zinc/96/51/38/396965138.db2.gz BQMBDLNTSVDCTR-UHFFFAOYSA-N 0 0 317.407 0.825 10 30 DCEERN C=CCOCCCNC(=O)[C@H](C)n1cnc2c1ncnc2N ZINC000618516362 396987442 /nfs/dbraw/zinc/98/74/42/396987442.db2.gz NVQKQZIXRRHQRF-JTQLQIEISA-N 0 0 304.354 0.678 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618674717 397009702 /nfs/dbraw/zinc/00/97/02/397009702.db2.gz ULWZEIQJHXWZIS-UTUOFQBUSA-N 0 0 302.396 0.070 10 30 DCEERN C=C(C)COCCNC(=O)c1ccnc(N2CCOCC2)n1 ZINC000626125433 397085553 /nfs/dbraw/zinc/08/55/53/397085553.db2.gz NIMCPGFJOYSALE-UHFFFAOYSA-N 0 0 306.366 0.636 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000612838530 397148776 /nfs/dbraw/zinc/14/87/76/397148776.db2.gz YCGKKCROKXQVJM-GJZGRUSLSA-N 0 0 319.409 0.988 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O ZINC000630979297 397151677 /nfs/dbraw/zinc/15/16/77/397151677.db2.gz RCNGZYLPTGUSIG-MNOVXSKESA-N 0 0 315.395 0.297 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(Cc2ncc3c(n2)CCOC3)C1=O ZINC000630986129 397152407 /nfs/dbraw/zinc/15/24/07/397152407.db2.gz MIIFOFPTTMOYPC-GFCCVEGCSA-N 0 0 302.334 0.936 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)OC ZINC000601500527 397154034 /nfs/dbraw/zinc/15/40/34/397154034.db2.gz AOQAIJXFMQVANI-SNVBAGLBSA-N 0 0 319.379 0.367 10 30 DCEERN COc1ccc(CN(C)C(=O)[C@H](C)n2cnc(C#N)n2)cn1 ZINC000619614696 397159678 /nfs/dbraw/zinc/15/96/78/397159678.db2.gz NPRXBMRVTZVJJC-JTQLQIEISA-N 0 0 300.322 0.773 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000360539587 397163336 /nfs/dbraw/zinc/16/33/36/397163336.db2.gz IIJPOAKMTBKYLG-CYBMUJFWSA-N 0 0 317.411 0.347 10 30 DCEERN CCN1CC[C@H](NS(=O)(=O)c2cccc(C)c2C#N)C1=O ZINC000619797904 397193491 /nfs/dbraw/zinc/19/34/91/397193491.db2.gz XQYJUUGHMCXZDN-LBPRGKRZSA-N 0 0 307.375 0.766 10 30 DCEERN CC#CC[C@@H](CO)NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601651961 397206768 /nfs/dbraw/zinc/20/67/68/397206768.db2.gz HDLATAIPOLPYGB-NSHDSACASA-N 0 0 321.377 0.880 10 30 DCEERN C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)nn1 ZINC000619975552 397215926 /nfs/dbraw/zinc/21/59/26/397215926.db2.gz ZPJMMANJDQQSAQ-NSHDSACASA-N 0 0 306.370 0.292 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccncc1)C(=O)OC ZINC000601786735 397244275 /nfs/dbraw/zinc/24/42/75/397244275.db2.gz IKCYIPBSBKRXNE-GFCCVEGCSA-N 0 0 305.334 0.435 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)OC ZINC000601781535 397244545 /nfs/dbraw/zinc/24/45/45/397244545.db2.gz ISPBZAWUVMYNMQ-LLVKDONJSA-N 0 0 317.407 0.825 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)OC ZINC000601787273 397245827 /nfs/dbraw/zinc/24/58/27/397245827.db2.gz LKMMLSZOSBQPNJ-GHMZBOCLSA-N 0 0 303.380 0.578 10 30 DCEERN N#Cc1ccc([C@@H](C(N)=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000613584664 397282944 /nfs/dbraw/zinc/28/29/44/397282944.db2.gz WLVHJEKIFLQALI-GOEBONIOSA-N 0 0 301.346 0.576 10 30 DCEERN C=C(CNC(=O)[C@H](O)C1CCC1)CNC(=O)[C@H](O)C1CCC1 ZINC000620747983 397299749 /nfs/dbraw/zinc/29/97/49/397299749.db2.gz WLKKZMICXJLRRX-ZIAGYGMSSA-N 0 0 310.394 0.097 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000620303239 397259042 /nfs/dbraw/zinc/25/90/42/397259042.db2.gz MRTGHTRTUIMHAT-RWMBFGLXSA-N 0 0 313.423 0.612 10 30 DCEERN C=C[C@@](C)(O)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000621009731 397331488 /nfs/dbraw/zinc/33/14/88/397331488.db2.gz YXYOHUJAOMTMHE-GFCCVEGCSA-N 0 0 302.327 0.026 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(N)=O)c1ccccn1 ZINC000577604504 397344884 /nfs/dbraw/zinc/34/48/84/397344884.db2.gz ATNNRVLYWKGGHE-DRZSPHRISA-N 0 0 304.350 0.498 10 30 DCEERN C=CCOC[C@H](N[C@H]1CCCS(=O)(=O)CC1)C(=O)OC ZINC000602645942 397455205 /nfs/dbraw/zinc/45/52/05/397455205.db2.gz VIRKSBPLZNQOTN-RYUDHWBXSA-N 0 0 305.396 0.288 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599455200 397445967 /nfs/dbraw/zinc/44/59/67/397445967.db2.gz BHVXKPFUFLBKKC-RYUDHWBXSA-N 0 0 305.396 0.840 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000593577025 397398531 /nfs/dbraw/zinc/39/85/31/397398531.db2.gz YDYGSYJMUUOLTI-LLVKDONJSA-N 0 0 324.358 0.560 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000578803091 397488141 /nfs/dbraw/zinc/48/81/41/397488141.db2.gz JHCJVELZWRYZLA-GFCCVEGCSA-N 0 0 305.334 0.038 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603001980 397548005 /nfs/dbraw/zinc/54/80/05/397548005.db2.gz XUNPQZHDCNSZJV-MRXNPFEDSA-N 0 0 310.394 0.841 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)OC)cnn2C)C1 ZINC000600003880 397560620 /nfs/dbraw/zinc/56/06/20/397560620.db2.gz IIZAIQLNRMCFMR-SNVBAGLBSA-N 0 0 320.349 0.570 10 30 DCEERN COC(=O)C(C)(C)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000494408669 397531379 /nfs/dbraw/zinc/53/13/79/397531379.db2.gz YHYQTCAWVRKKIG-ZDUSSCGKSA-N 0 0 324.425 0.316 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CCn1ccnc1)C(=O)OC ZINC000603397029 397605756 /nfs/dbraw/zinc/60/57/56/397605756.db2.gz OCPWFSXBNOUSAS-LLVKDONJSA-N 0 0 301.368 0.310 10 30 DCEERN N#Cc1ccc(OCCNC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000080584568 158081151 /nfs/dbraw/zinc/08/11/51/158081151.db2.gz IZTSXWKNQCXQOZ-CQSZACIVSA-N 0 0 316.361 0.905 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000126582455 158266030 /nfs/dbraw/zinc/26/60/30/158266030.db2.gz BCDHDXJZLIJFKY-KRWDZBQOSA-N 0 0 317.389 0.680 10 30 DCEERN CCN1CCO[C@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000130667063 158296433 /nfs/dbraw/zinc/29/64/33/158296433.db2.gz MBQHCLKDSNIBQE-INIZCTEOSA-N 0 0 315.373 0.869 10 30 DCEERN Cc1cc(C#N)nc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000367425700 159337078 /nfs/dbraw/zinc/33/70/78/159337078.db2.gz HLTNEWGLFAXKDW-CYBMUJFWSA-N 0 0 321.406 0.661 10 30 DCEERN Cc1noc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCN2C)n1 ZINC000408031753 160016423 /nfs/dbraw/zinc/01/64/23/160016423.db2.gz PEMSCYBFDWJTNX-LBPRGKRZSA-N 0 0 300.322 0.707 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000408074725 160030397 /nfs/dbraw/zinc/03/03/97/160030397.db2.gz VLKLGFHTRQWDNN-UHFFFAOYSA-N 0 0 315.333 0.147 10 30 DCEERN C[C@@H]1C(=O)NCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000189342250 287179824 /nfs/dbraw/zinc/17/98/24/287179824.db2.gz MUALHGSJDJMDEI-CYBMUJFWSA-N 0 0 306.410 0.882 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCO[C@@H](CC(N)=O)C2)s1 ZINC000630027731 411710484 /nfs/dbraw/zinc/71/04/84/411710484.db2.gz VVTFRWGUERYHHA-VIFPVBQESA-N 0 0 310.379 0.457 10 30 DCEERN CC(=O)N1CCN(C(=O)CCNCc2nc(C#N)cs2)CC1 ZINC000352855640 415345807 /nfs/dbraw/zinc/34/58/07/415345807.db2.gz UIIKVISQOLLZPY-UHFFFAOYSA-N 0 0 321.406 0.185 10 30 DCEERN Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2C#N)cc1C ZINC000081739657 415487486 /nfs/dbraw/zinc/48/74/86/415487486.db2.gz LCRNMQQCZAOPDO-AWEZNQCLSA-N 0 0 301.346 0.784 10 30 DCEERN C=CCCCN(C)C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC000353268867 415494051 /nfs/dbraw/zinc/49/40/51/415494051.db2.gz SPASCJWYRLDUGD-UHFFFAOYSA-N 0 0 303.428 0.587 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2ccon2)CC1 ZINC000075857891 415452041 /nfs/dbraw/zinc/45/20/41/415452041.db2.gz DMSFYWVWJJQZEY-MRXNPFEDSA-N 0 0 319.409 0.847 10 30 DCEERN C=CCCCN(C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076735269 415458050 /nfs/dbraw/zinc/45/80/50/415458050.db2.gz BHYGWBPAJPUHTH-QWHCGFSZSA-N 0 0 302.440 0.918 10 30 DCEERN C#CCC(CC#C)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000288471682 415679273 /nfs/dbraw/zinc/67/92/73/415679273.db2.gz POGZFSDGZURSTL-UHFFFAOYSA-N 0 0 318.398 0.921 10 30 DCEERN N#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000108840657 415683700 /nfs/dbraw/zinc/68/37/00/415683700.db2.gz GOUICZDLPZEADS-CYBMUJFWSA-N 0 0 307.375 0.773 10 30 DCEERN N#Cc1cc(NC(=O)NC[C@H](O)CN2CCOCC2)ccc1F ZINC000120482388 415771604 /nfs/dbraw/zinc/77/16/04/415771604.db2.gz KVDDDAWKIHLGLB-ZDUSSCGKSA-N 0 0 322.340 0.512 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc(COC)o2)CC1 ZINC000122208793 415829651 /nfs/dbraw/zinc/82/96/51/415829651.db2.gz ZWEWSEFXTJRSJG-UHFFFAOYSA-N 0 0 307.394 0.846 10 30 DCEERN N#Cc1cc(F)ccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000120834606 415784845 /nfs/dbraw/zinc/78/48/45/415784845.db2.gz DOFVDKCBSOBTNU-ZDUSSCGKSA-N 0 0 322.340 0.512 10 30 DCEERN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000295556206 415900108 /nfs/dbraw/zinc/90/01/08/415900108.db2.gz KPOQYIZQQWPDPU-UONOGXRCSA-N 0 0 304.394 0.852 10 30 DCEERN CC#CCN(C)C(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000344190589 415860802 /nfs/dbraw/zinc/86/08/02/415860802.db2.gz SYTXCQHMALUCRR-UHFFFAOYSA-N 0 0 311.345 0.747 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000297658748 415967029 /nfs/dbraw/zinc/96/70/29/415967029.db2.gz FNYOZRFIJCBENM-XJKSGUPXSA-N 0 0 310.394 0.817 10 30 DCEERN C=CCNC(=O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000152776341 415969457 /nfs/dbraw/zinc/96/94/57/415969457.db2.gz ZJOUJQUSQNARHN-UHFFFAOYSA-N 0 0 303.362 0.452 10 30 DCEERN CN(C)c1nc(CN(CCC#N)CCN2CCOCC2)ns1 ZINC000154252268 415991899 /nfs/dbraw/zinc/99/18/99/415991899.db2.gz HJOWYDJFDHECHI-UHFFFAOYSA-N 0 0 324.454 0.652 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000337237773 415934554 /nfs/dbraw/zinc/93/45/54/415934554.db2.gz CRKWNXVTQWNZKL-CYBMUJFWSA-N 0 0 305.334 0.637 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)cn2)CC1 ZINC000345240199 416065807 /nfs/dbraw/zinc/06/58/07/416065807.db2.gz ZAOBAFUNPJQIQN-UHFFFAOYSA-N 0 0 317.393 0.842 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)CCn1cccn1 ZINC000337918753 416021285 /nfs/dbraw/zinc/02/12/85/416021285.db2.gz WXKDTXXSZAPFKW-ZDUSSCGKSA-N 0 0 318.381 0.885 10 30 DCEERN Cc1ccc(N2CCN(CC(=O)NC(C)C)CC2)nc1C#N ZINC000302726051 416098693 /nfs/dbraw/zinc/09/86/93/416098693.db2.gz 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/nfs/dbraw/zinc/13/53/92/416135392.db2.gz HPKVZJDKELNPQL-QWHCGFSZSA-N 0 0 310.398 0.672 10 30 DCEERN CN1CCO[C@@H]2CCN(C(=O)NCCc3cnccn3)C[C@H]21 ZINC000328852548 416135522 /nfs/dbraw/zinc/13/55/22/416135522.db2.gz BVDKJDOJRAYGHT-ZIAGYGMSSA-N 0 0 305.382 0.338 10 30 DCEERN Cc1cc(=O)n(C)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328965441 416140616 /nfs/dbraw/zinc/14/06/16/416140616.db2.gz MIRCWPDNWWRVKO-KGLIPLIRSA-N 0 0 320.393 0.644 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2nc(C)c(C)o2)CC1 ZINC000338979072 416149944 /nfs/dbraw/zinc/14/99/44/416149944.db2.gz YDYQWLTZYHTXIL-UHFFFAOYSA-N 0 0 321.381 0.743 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCCS1(=O)=O ZINC000329129642 416151570 /nfs/dbraw/zinc/15/15/70/416151570.db2.gz NWOOTRXQTVIXNB-HBNTYKKESA-N 0 0 314.367 0.142 10 30 DCEERN CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@H](O)C1CC1)CC2 ZINC000329400808 416168561 /nfs/dbraw/zinc/16/85/61/416168561.db2.gz BGIMXJXITJBGER-NEPJUHHUSA-N 0 0 307.398 0.991 10 30 DCEERN Cc1cc(N2CCC[C@H](Nc3ccc(C#N)nn3)C2=O)n(C)n1 ZINC000179318979 416184775 /nfs/dbraw/zinc/18/47/75/416184775.db2.gz GCMNJRYXWIVGHM-LBPRGKRZSA-N 0 0 311.349 0.998 10 30 DCEERN [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329696827 416185863 /nfs/dbraw/zinc/18/58/63/416185863.db2.gz CBHWGQVZZJCUGP-RYUDHWBXSA-N 0 0 315.381 0.937 10 30 DCEERN O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCN(C2CC2)CC1 ZINC000329761527 416189842 /nfs/dbraw/zinc/18/98/42/416189842.db2.gz RNTITHBTPNGTGG-ZDUSSCGKSA-N 0 0 315.439 0.648 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000347155934 416212704 /nfs/dbraw/zinc/21/27/04/416212704.db2.gz RDUNZQFWCRJHGW-LBPRGKRZSA-N 0 0 319.427 0.037 10 30 DCEERN C=CCNC(=O)CNC(=O)CSCC(=O)OC(C)(C)C ZINC000347898854 416227057 /nfs/dbraw/zinc/22/70/57/416227057.db2.gz ZWLBYSNVDGPHDC-UHFFFAOYSA-N 0 0 302.396 0.480 10 30 DCEERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCc2cncnc2C1 ZINC000329262562 416159839 /nfs/dbraw/zinc/15/98/39/416159839.db2.gz DGFITMICHXZOOS-NSHDSACASA-N 0 0 303.366 0.760 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCS2)CC1 ZINC000330837272 416241736 /nfs/dbraw/zinc/24/17/36/416241736.db2.gz WRVDTZPMHWWZBX-CYBMUJFWSA-N 0 0 311.451 0.719 10 30 DCEERN C=CCN1CC[C@@H](N(C)S(=O)(=O)CC2(C#N)CCC2)C1=O ZINC000349649564 416256714 /nfs/dbraw/zinc/25/67/14/416256714.db2.gz CXHHXXCEFBTDHB-GFCCVEGCSA-N 0 0 311.407 0.729 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000189604216 416267657 /nfs/dbraw/zinc/26/76/57/416267657.db2.gz LIPDJPHUUXJHOY-LLVKDONJSA-N 0 0 314.411 0.963 10 30 DCEERN C=CCN(Cc1nc(N(C)C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000189584859 416268329 /nfs/dbraw/zinc/26/83/29/416268329.db2.gz KEVFOGJLXQVJKF-JTQLQIEISA-N 0 0 300.384 0.311 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443784 416331089 /nfs/dbraw/zinc/33/10/89/416331089.db2.gz XKCZYMGOIZOXDK-KWQFWETISA-N 0 0 309.288 0.386 10 30 DCEERN C=C(CC)CNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000418887725 416392916 /nfs/dbraw/zinc/39/29/16/416392916.db2.gz NJPCMNKMPARRHV-AWEZNQCLSA-N 0 0 302.378 0.637 10 30 DCEERN Cc1cc(C#N)cc(NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000587996015 416520963 /nfs/dbraw/zinc/52/09/63/416520963.db2.gz JVRHVAIJKQSXMP-QWHCGFSZSA-N 0 0 308.407 1.392 10 30 DCEERN C=C[C@@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000487382908 416557192 /nfs/dbraw/zinc/55/71/92/416557192.db2.gz WRWVFKPCUBTISL-LLVKDONJSA-N 0 0 307.437 0.934 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000611548089 416664764 /nfs/dbraw/zinc/66/47/64/416664764.db2.gz AQAIOYPVQYPXIB-UHFFFAOYSA-N 0 0 319.365 0.767 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000556396668 416714728 /nfs/dbraw/zinc/71/47/28/416714728.db2.gz VMVCLMWQJZSQSE-OLZOCXBDSA-N 0 0 315.329 0.562 10 30 DCEERN C=CCn1cc(C(=O)N[C@H]2c3ccccc3CN(C)C2=O)nn1 ZINC000623266723 416785687 /nfs/dbraw/zinc/78/56/87/416785687.db2.gz DLIBNZUEIMWLMZ-AWEZNQCLSA-N 0 0 311.345 0.907 10 30 DCEERN C[C@H](C(=O)N(C)C)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369521131 416788753 /nfs/dbraw/zinc/78/87/53/416788753.db2.gz SFRPPXRLZIWVJZ-QFSBIZTOSA-N 0 0 312.373 0.809 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000519625543 416924298 /nfs/dbraw/zinc/92/42/98/416924298.db2.gz BCPRPSDGRPHXAK-ZBFHGGJFSA-N 0 0 317.389 0.987 10 30 DCEERN CC#CCCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC000632331693 417028840 /nfs/dbraw/zinc/02/88/40/417028840.db2.gz RPGTWQLIMVZDET-CABCVRRESA-N 0 0 318.377 0.238 10 30 DCEERN C=CCN(C(=O)c1coc(OC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000624490205 417044623 /nfs/dbraw/zinc/04/46/23/417044623.db2.gz UYLGOKVMODOOCE-SECBINFHSA-N 0 0 300.336 0.499 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1cnn(CC)c1 ZINC000567745039 417066933 /nfs/dbraw/zinc/06/69/33/417066933.db2.gz UIUQXHVKNRMRDO-KBPBESRZSA-N 0 0 320.393 0.569 10 30 DCEERN C=CCO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1O ZINC000616583160 417080597 /nfs/dbraw/zinc/08/05/97/417080597.db2.gz OMBCPFYQIULSGV-IAODNVIUSA-N 0 0 308.330 0.750 10 30 DCEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCS(=O)(=O)CC1 ZINC000624852130 417125125 /nfs/dbraw/zinc/12/51/25/417125125.db2.gz SSJJTOALEFDLTI-UHFFFAOYSA-N 0 0 308.367 0.089 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C ZINC000632500858 417130785 /nfs/dbraw/zinc/13/07/85/417130785.db2.gz FIEAVIBVAWIFAF-STQMWFEESA-N 0 0 302.440 0.981 10 30 DCEERN C=C[C@@](C)(O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000617452052 417225344 /nfs/dbraw/zinc/22/53/44/417225344.db2.gz NBTDRIBWADVMKX-OYNCUSHFSA-N 0 0 315.313 0.357 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](OC)C[C@@]1(C)CO ZINC000632717830 417238839 /nfs/dbraw/zinc/23/88/39/417238839.db2.gz NXBJCKYHWISJJE-LRDDRELGSA-N 0 0 312.410 0.703 10 30 DCEERN C=CCOC[C@H](NC(=O)c1cnc(C2CC2)nc1)C(=O)OC ZINC000451385404 417338187 /nfs/dbraw/zinc/33/81/87/417338187.db2.gz SFISUSRFDLJHKP-LBPRGKRZSA-N 0 0 305.334 0.828 10 30 DCEERN C=C(CC)CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC000633360724 417415203 /nfs/dbraw/zinc/41/52/03/417415203.db2.gz 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/nfs/dbraw/zinc/00/38/58/230003858.db2.gz LLTPDJKRQOUDFN-CQSZACIVSA-N 0 0 315.377 0.956 10 30 DCEERN CCOC(=O)[C@H](NC(=O)c1ccc(C#N)n1C)[C@H]1CCCOC1 ZINC000450775167 267133674 /nfs/dbraw/zinc/13/36/74/267133674.db2.gz PFZXNIJRHZMTQG-SMDDNHRTSA-N 0 0 319.361 0.985 10 30 DCEERN Cn1c(C#N)ccc1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000448945132 268112985 /nfs/dbraw/zinc/11/29/85/268112985.db2.gz GVJWAMLGOBSIMR-UHFFFAOYSA-N 0 0 324.406 0.346 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cscn1 ZINC000357863694 276869737 /nfs/dbraw/zinc/86/97/37/276869737.db2.gz HIXKFQCFMQQHJI-PWSUYJOCSA-N 0 0 309.391 0.857 10 30 DCEERN C=C[C@H](C)NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000338443874 277909926 /nfs/dbraw/zinc/90/99/26/277909926.db2.gz XHQONQOZNKWXCD-NSHDSACASA-N 0 0 301.412 0.770 10 30 DCEERN Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000548912395 288186957 /nfs/dbraw/zinc/18/69/57/288186957.db2.gz ZEJVOUCOEUOUDS-OAHLLOKOSA-N 0 0 324.388 0.875 10 30 DCEERN 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/nfs/dbraw/zinc/13/26/59/528132659.db2.gz JRJDHLBEILDGIM-UHFFFAOYSA-N 0 0 304.310 0.713 10 30 DCEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171619879 528622387 /nfs/dbraw/zinc/62/23/87/528622387.db2.gz GFQVQMCFUUOLOK-KBPBESRZSA-N 0 0 304.398 0.923 10 30 DCEERN CCOC(=O)NCCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000378228366 529071236 /nfs/dbraw/zinc/07/12/36/529071236.db2.gz JUUWEIXPQFVZTD-CYBMUJFWSA-N 0 0 308.382 0.711 10 30 DCEERN CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC ZINC000457033571 535798489 /nfs/dbraw/zinc/79/84/89/535798489.db2.gz AYBSSTCUQMOVKB-MEBBXXQBSA-N 0 0 311.382 0.889 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000320719795 546033922 /nfs/dbraw/zinc/03/39/22/546033922.db2.gz IGVPWLTUXAMZFY-NSHDSACASA-N 0 0 316.354 0.999 10 30 DCEERN Cc1cc(C)n2nc(CC(=O)NC[C@H]3CN(C)CCO3)nc2n1 ZINC000328730113 546039109 /nfs/dbraw/zinc/03/91/09/546039109.db2.gz HVEHPCDHIXNSBP-LBPRGKRZSA-N 0 0 318.381 0.571 10 30 DCEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC(=O)N2C)CC(=O)N1C ZINC000328985526 546041714 /nfs/dbraw/zinc/04/17/14/546041714.db2.gz GOQVYEFSZODOIC-OLUVUFQESA-N 0 0 319.365 0.269 10 30 DCEERN C[C@@]1(O)CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329393900 546047802 /nfs/dbraw/zinc/04/78/02/546047802.db2.gz UXABENREZYZOAE-OUCADQQQSA-N 0 0 309.370 0.369 10 30 DCEERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000332782637 546060213 /nfs/dbraw/zinc/06/02/13/546060213.db2.gz IZHFZILPJMDYAJ-WYUUTHIRSA-N 0 0 304.354 0.968 10 30 DCEERN C#CCNC(=O)COC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000727546244 662186926 /nfs/dbraw/zinc/18/69/26/662186926.db2.gz HGMBETSRRKAJOV-AWEZNQCLSA-N 0 0 317.345 0.129 10 30 DCEERN C#CCN(C(=O)c1ccc(C#C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000729333012 662788375 /nfs/dbraw/zinc/78/83/75/662788375.db2.gz IAJVZZATBIXHES-AWEZNQCLSA-N 0 0 302.355 0.325 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN(Cc2nonc2C)CC1 ZINC000222314421 664374202 /nfs/dbraw/zinc/37/42/02/664374202.db2.gz KBBHIYDSLKVCFU-UHFFFAOYSA-N 0 0 300.384 0.402 10 30 DCEERN N#Cc1cccc(OCCn2nc(-n3cncn3)ccc2=O)c1 ZINC000058168506 664472119 /nfs/dbraw/zinc/47/21/19/664472119.db2.gz NAZDGHIPNDAJMK-UHFFFAOYSA-N 0 0 308.301 0.775 10 30 DCEERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000228261707 664552576 /nfs/dbraw/zinc/55/25/76/664552576.db2.gz NTIJYXJZRABOAY-NSHDSACASA-N 0 0 309.347 0.677 10 30 DCEERN C#CCN1CCC[C@H]1C(=O)NC[C@H](O)c1ccccc1OC ZINC000730275917 664674057 /nfs/dbraw/zinc/67/40/57/664674057.db2.gz BKTDYCYVFFECNK-GJZGRUSLSA-N 0 0 302.374 0.942 10 30 DCEERN C=CCNC(=O)c1ccccc1NC(=O)CN1CC(=O)NC1=O ZINC000731894364 664888907 /nfs/dbraw/zinc/88/89/07/664888907.db2.gz NFMLOFKTZIASRN-UHFFFAOYSA-N 0 0 316.317 0.093 10 30 DCEERN N#C[C@@H]1CN(C(=O)CCn2ccccc2=O)CCN1C1CC1 ZINC000732649418 664950080 /nfs/dbraw/zinc/95/00/80/664950080.db2.gz ILWAVJKWKLXDQQ-CQSZACIVSA-N 0 0 300.362 0.437 10 30 DCEERN N#C[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CCC2)CCN1C1CC1 ZINC000732663829 664950517 /nfs/dbraw/zinc/95/05/17/664950517.db2.gz HMCPRQCLZIEOFG-AWEZNQCLSA-N 0 0 316.405 0.634 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCc2nc(C3CC3)no2)CCN1C1CC1 ZINC000732673968 664951747 /nfs/dbraw/zinc/95/17/47/664951747.db2.gz DITIXOQNXIYWAR-GFCCVEGCSA-N 0 0 316.365 0.829 10 30 DCEERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000228261686 666649056 /nfs/dbraw/zinc/64/90/56/666649056.db2.gz HMHIOUVUXPTARX-NSHDSACASA-N 0 0 309.347 0.677 10 30 DCEERN C=C(COC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)OCC ZINC000734027292 666836998 /nfs/dbraw/zinc/83/69/98/666836998.db2.gz QLGPCVMBJNOXGP-LLVKDONJSA-N 0 0 319.379 0.463 10 30 DCEERN C=C(COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)OCC ZINC000734025377 666839872 /nfs/dbraw/zinc/83/98/72/666839872.db2.gz NQNPODBKNNSUOV-HNNXBMFYSA-N 0 0 324.333 0.369 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCOC[C@@H]2CCCO2)CCN1C1CC1 ZINC000734534290 666888105 /nfs/dbraw/zinc/88/81/05/666888105.db2.gz NETINSATNMHZQL-GJZGRUSLSA-N 0 0 322.409 0.564 10 30 DCEERN C#CCN(C(=O)c1cc(OC)ccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000734813733 666912286 /nfs/dbraw/zinc/91/22/86/666912286.db2.gz ZRBXPQBRIALVFW-LLVKDONJSA-N 0 0 308.359 0.353 10 30 DCEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1c(C)n[nH]c1C ZINC000134090253 667510533 /nfs/dbraw/zinc/51/05/33/667510533.db2.gz JAGLUWUKZPEZKB-UHFFFAOYSA-N 0 0 301.368 0.766 10 30 DCEERN C#CCN1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)CC1 ZINC000134168488 667518783 /nfs/dbraw/zinc/51/87/83/667518783.db2.gz WVSICGLSEMDEFA-UHFFFAOYSA-N 0 0 313.361 0.619 10 30 DCEERN C#CCSCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000740043358 667731098 /nfs/dbraw/zinc/73/10/98/667731098.db2.gz GAOFNAYSBYWDQI-UHFFFAOYSA-N 0 0 319.452 0.078 10 30 DCEERN C#CCNC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000007476835 668155087 /nfs/dbraw/zinc/15/50/87/668155087.db2.gz VVQAJEIDGPTCJU-UHFFFAOYSA-N 0 0 302.330 0.326 10 30 DCEERN C#CC[C@@H](OC(=O)CN1CCN(CC)C(=O)C1=O)C(C)(C)C ZINC000159762401 669941590 /nfs/dbraw/zinc/94/15/90/669941590.db2.gz LFUSAWSSWZRPNE-GFCCVEGCSA-N 0 0 308.378 0.658 10 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/nfs/dbraw/zinc/23/19/15/237231915.db2.gz ITAYJGDTXXLPEF-CYBMUJFWSA-N 0 0 324.344 0.462 10 30 DCEERN COCCCOC1CN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000155333740 291219142 /nfs/dbraw/zinc/21/91/42/291219142.db2.gz IIQFOJHCZAVQQI-UHFFFAOYSA-N 0 0 310.375 0.984 10 30 DCEERN N#CCC[C@H](C#N)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247024047 238161765 /nfs/dbraw/zinc/16/17/65/238161765.db2.gz RKXXKKIVSZMHFO-ZIAGYGMSSA-N 0 0 310.423 0.930 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1csc2cncn21 ZINC000329134491 238593177 /nfs/dbraw/zinc/59/31/77/238593177.db2.gz QDIPXYCJOLEBGC-DTWKUNHWSA-N 0 0 304.335 0.932 10 30 DCEERN COC[C@@H](NC(=O)NCC(=O)NCC#N)c1ccc(F)cc1 ZINC000358273702 239039546 /nfs/dbraw/zinc/03/95/46/239039546.db2.gz KJLCADCLVXGAFJ-GFCCVEGCSA-N 0 0 308.313 0.452 10 30 DCEERN N#CC1(CS(=O)(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000361808641 239092667 /nfs/dbraw/zinc/09/26/67/239092667.db2.gz APAZDMFDMWVCGY-UHFFFAOYSA-N 0 0 324.381 0.976 10 30 DCEERN C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N(C)C ZINC000362386381 239101023 /nfs/dbraw/zinc/10/10/23/239101023.db2.gz DQVWSLZZMDNNOQ-MEBBXXQBSA-N 0 0 311.382 0.841 10 30 DCEERN N#C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)CCN1C1CC1 ZINC000366053079 239129008 /nfs/dbraw/zinc/12/90/08/239129008.db2.gz MIHLXJRLBQEQAU-LLVKDONJSA-N 0 0 309.320 0.961 10 30 DCEERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370965525 239180108 /nfs/dbraw/zinc/18/01/08/239180108.db2.gz AIZKDHTVVDIMEZ-ZDUSSCGKSA-N 0 0 315.377 0.418 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000377824335 239243376 /nfs/dbraw/zinc/24/33/76/239243376.db2.gz RCQXDJRRHYHLBH-OLZOCXBDSA-N 0 0 300.428 0.635 10 30 DCEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000408339267 239265789 /nfs/dbraw/zinc/26/57/89/239265789.db2.gz OTWPEXJXBVBLRI-RISCZKNCSA-N 0 0 319.386 0.943 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)cc1C#N ZINC000408356603 239267102 /nfs/dbraw/zinc/26/71/02/239267102.db2.gz 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311.341 0.198 10 30 DCEERN C#CCC(C)(C)COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185363794 666413866 /nfs/dbraw/zinc/41/38/66/666413866.db2.gz PRNPXJXTSNDABK-UHFFFAOYSA-N 0 0 302.334 0.723 10 30 DCEERN N#Cc1cc(Br)cnc1N1CC[C@H](NC(N)=O)C1 ZINC000700744747 666763592 /nfs/dbraw/zinc/76/35/92/666763592.db2.gz BCJWVBZRUCNDRA-VIFPVBQESA-N 0 0 310.155 0.963 10 30 DCEERN CN(C)c1cc(C(=O)OCC(=O)NCCC#N)cc(Cl)n1 ZINC000733579936 666767898 /nfs/dbraw/zinc/76/78/98/666767898.db2.gz ULKJUOFRVQCJTO-UHFFFAOYSA-N 0 0 310.741 0.988 10 30 DCEERN C=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)OCC ZINC000734032250 666837396 /nfs/dbraw/zinc/83/73/96/666837396.db2.gz DHPZXMFIFIBQBU-UHFFFAOYSA-N 0 0 303.270 0.846 10 30 DCEERN C=C(COC(=O)[C@@H]1CSCN1C(=O)CC)C(=O)OCC ZINC000734032321 666837466 /nfs/dbraw/zinc/83/74/66/666837466.db2.gz FXSJTASFGQTLTP-JTQLQIEISA-N 0 0 301.364 0.960 10 30 DCEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1cn(CC)cn1 ZINC000118911097 667040068 /nfs/dbraw/zinc/04/00/68/667040068.db2.gz YCLXHUCZVZCAKB-UHFFFAOYSA-N 0 0 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300.399 0.609 10 30 DCEERN CC(=O)N1CCN(CCNC(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000600997325 396985079 /nfs/dbraw/zinc/98/50/79/396985079.db2.gz WOXTZKLOUSBYFE-UHFFFAOYSA-N 0 0 304.394 0.351 10 30 DCEERN C=CCOC[C@@H](NC(=O)Cc1cc(C2CC2)no1)C(=O)OC ZINC000597607050 397030320 /nfs/dbraw/zinc/03/03/20/397030320.db2.gz MBWWAQYZFPJOEX-CYBMUJFWSA-N 0 0 308.334 0.955 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC ZINC000597442709 396974067 /nfs/dbraw/zinc/97/40/67/396974067.db2.gz YDWYARORNVHZQL-OLZOCXBDSA-N 0 0 322.365 0.081 10 30 DCEERN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000619222330 397100460 /nfs/dbraw/zinc/10/04/60/397100460.db2.gz IXHYZIFMSCSQMP-CZXHOFHRSA-N 0 0 301.408 0.859 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)COCC(C)C ZINC000612413677 397047656 /nfs/dbraw/zinc/04/76/56/397047656.db2.gz DBSRGTOCRMQTHI-KBPBESRZSA-N 0 0 300.399 0.607 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC)C2CC2)C1=O ZINC000618952317 397049324 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C=CCCn1cc(C(=O)NCC2(S(=O)(=O)CC)CC2)nn1 ZINC000620055555 397229518 /nfs/dbraw/zinc/22/95/18/397229518.db2.gz OWLKVXWZCLGJAM-UHFFFAOYSA-N 0 0 312.395 0.551 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000601781233 397242892 /nfs/dbraw/zinc/24/28/92/397242892.db2.gz HKVRRCVCGGNYHN-QWRGUYRKSA-N 0 0 303.380 0.435 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cnc2ccc(OC)nn21)C(=O)OC ZINC000601784762 397243862 /nfs/dbraw/zinc/24/38/62/397243862.db2.gz MQMIGKOIZJLEPF-JTQLQIEISA-N 0 0 318.333 0.976 10 30 DCEERN C=C(C)C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)OC ZINC000601787674 397245017 /nfs/dbraw/zinc/24/50/17/397245017.db2.gz MOKNSBDTTRYYLH-JTQLQIEISA-N 0 0 305.396 0.824 10 30 DCEERN C=C(C)C[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)OC ZINC000601788746 397245211 /nfs/dbraw/zinc/24/52/11/397245211.db2.gz XWYKABXWJWIAQB-LBPRGKRZSA-N 0 0 307.350 0.484 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C ZINC000613486704 397265973 /nfs/dbraw/zinc/26/59/73/397265973.db2.gz 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417272117 /nfs/dbraw/zinc/27/21/17/417272117.db2.gz RKFXQFJBACNOAK-HZPDHXFCSA-N 0 0 303.406 0.466 10 30 DCEERN CC(=O)[C@](C)(O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000450822997 417273292 /nfs/dbraw/zinc/27/32/92/417273292.db2.gz QDGONFKDHMBCSZ-OAHLLOKOSA-N 0 0 305.382 0.062 10 30 DCEERN C=CCOc1cccnc1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000527364707 417240551 /nfs/dbraw/zinc/24/05/51/417240551.db2.gz CPWXKXWUHLLMKQ-UHFFFAOYSA-N 0 0 301.306 0.600 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627462203 417424518 /nfs/dbraw/zinc/42/45/18/417424518.db2.gz MHYMBOWOLFJODP-UHFFFAOYSA-N 0 0 318.333 0.937 10 30 DCEERN C=CCN(C(=O)c1cc(N2CCOCC2)ncn1)[C@@H](C)COC ZINC000633613297 417463712 /nfs/dbraw/zinc/46/37/12/417463712.db2.gz WZBTVTLFTHBBAP-ZDUSSCGKSA-N 0 0 320.393 0.976 10 30 DCEERN C=C(C)CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000627621815 417473620 /nfs/dbraw/zinc/47/36/20/417473620.db2.gz KACKEXUQUVUHHF-KBPBESRZSA-N 0 0 320.393 0.791 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC(N2CCOCC2)C1 ZINC000627942642 417539257 /nfs/dbraw/zinc/53/92/57/417539257.db2.gz CKLMJALVWVCIIP-YMAMQOFZSA-N 0 0 309.410 0.437 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NC)cn1 ZINC000622852624 417511075 /nfs/dbraw/zinc/51/10/75/417511075.db2.gz IZUGWQOPIVKLTN-GFCCVEGCSA-N 0 0 304.350 0.851 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635185180 417602843 /nfs/dbraw/zinc/60/28/43/417602843.db2.gz SDYGTNOQWDKHMR-ZJUUUORDSA-N 0 0 322.292 0.953 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1ccnc(OCC(F)(F)F)n1 ZINC000455959621 417619676 /nfs/dbraw/zinc/61/96/76/417619676.db2.gz OZBCOLHJNKJKAY-MRVPVSSYSA-N 0 0 320.271 1.476 10 30 DCEERN C=CC[C@H]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C1 ZINC000628492428 417625445 /nfs/dbraw/zinc/62/54/45/417625445.db2.gz ULPZZBQTCXPNNW-QWHCGFSZSA-N 0 0 309.410 0.817 10 30 DCEERN C=CC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 ZINC000628493715 417626502 /nfs/dbraw/zinc/62/65/02/417626502.db2.gz 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334616088 /nfs/dbraw/zinc/61/60/88/334616088.db2.gz RYGFYDRCFLHYED-HEHGZKQESA-N 0 0 310.394 0.457 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCSCC(=O)OC ZINC000425480957 334923057 /nfs/dbraw/zinc/92/30/57/334923057.db2.gz PRVDAQIGKGPHHM-QWRGUYRKSA-N 0 0 302.396 0.783 10 30 DCEERN CN1CCO[C@@H]2CN(C(=O)NCc3cn4c(n3)CCCC4)C[C@H]21 ZINC000329929891 336096457 /nfs/dbraw/zinc/09/64/57/336096457.db2.gz ZEKXTDKJLFAVEM-ZIAGYGMSSA-N 0 0 319.409 0.648 10 30 DCEERN COc1c(CNC(=O)c2cn([C@H]3CCOC3)nn2)c(C)nn1C ZINC000330035868 336108052 /nfs/dbraw/zinc/10/80/52/336108052.db2.gz CDCYPBZGEXEWHA-JTQLQIEISA-N 0 0 320.353 0.795 10 30 DCEERN Cn1nncc1S(=O)(=O)NCCNC(=O)CC1CCCC1 ZINC000330049152 336109127 /nfs/dbraw/zinc/10/91/27/336109127.db2.gz KODVBKYSEQQGTJ-UHFFFAOYSA-N 0 0 315.399 0.630 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000330218257 336125638 /nfs/dbraw/zinc/12/56/38/336125638.db2.gz JECGPXIYWJZTSF-FDYHWXHSSA-N 0 0 307.350 0.994 10 30 DCEERN 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CC(C)(CC#N)CS(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000408457564 526961132 /nfs/dbraw/zinc/96/11/32/526961132.db2.gz BNLZQJXNZQUQGT-NEPJUHHUSA-N 0 0 313.423 0.999 10 30 DCEERN C#CCOCCC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000371062664 527063012 /nfs/dbraw/zinc/06/30/12/527063012.db2.gz KYPUDZLGQJRSNO-UHFFFAOYSA-N 0 0 302.378 0.970 10 30 DCEERN C#CCOCCC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000155861220 527066172 /nfs/dbraw/zinc/06/61/72/527066172.db2.gz LVWQRDWYVJYNKL-UHFFFAOYSA-N 0 0 314.345 0.932 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](CO)CC=C ZINC000185606289 527130732 /nfs/dbraw/zinc/13/07/32/527130732.db2.gz SZAJDJFFUIMOKY-GFCCVEGCSA-N 0 0 302.330 0.690 10 30 DCEERN C#CCSCCNC(=O)N1CCc2nn(CC)c(=O)cc2C1 ZINC000371878395 527142304 /nfs/dbraw/zinc/14/23/04/527142304.db2.gz MPCSUJSRKZRBGE-UHFFFAOYSA-N 0 0 320.418 0.697 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000186762849 527201482 /nfs/dbraw/zinc/20/14/82/527201482.db2.gz XOYHLYMUXBYBJF-NWDGAFQWSA-N 0 0 307.398 0.953 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000186661090 527209817 /nfs/dbraw/zinc/20/98/17/527209817.db2.gz XJUMELZNBFMFLY-GFCCVEGCSA-N 0 0 314.363 0.994 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)NCC2(C)OCCCO2)c1 ZINC000190544638 527445777 /nfs/dbraw/zinc/44/57/77/527445777.db2.gz YYTJUQPQTICJCR-UHFFFAOYSA-N 0 0 302.330 0.876 10 30 DCEERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408341223 527846574 /nfs/dbraw/zinc/84/65/74/527846574.db2.gz QMLUFSVROGBIBJ-WOPDTQHZSA-N 0 0 315.395 0.541 10 30 DCEERN CCOCCN1CCN(S(=O)(=O)CCCC#N)C[C@H]1C ZINC000247112310 528753098 /nfs/dbraw/zinc/75/30/98/528753098.db2.gz NIHVUJSDTWULDM-CYBMUJFWSA-N 0 0 303.428 0.663 10 30 DCEERN CC1(C)CN(S(=O)(=O)CCCC#N)C[C@]2(CCOC2)O1 ZINC000370698206 529126524 /nfs/dbraw/zinc/12/65/24/529126524.db2.gz IRSKARUKDCXBLT-ZDUSSCGKSA-N 0 0 302.396 0.890 10 30 DCEERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233727 529172909 /nfs/dbraw/zinc/17/29/09/529172909.db2.gz 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/nfs/dbraw/zinc/82/70/62/663827062.db2.gz BPVQSRZQDCYGAI-UHFFFAOYSA-N 0 0 304.346 0.776 10 30 DCEERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000227812873 664539205 /nfs/dbraw/zinc/53/92/05/664539205.db2.gz ITDJSARJCRIKGI-GXFFZTMASA-N 0 0 308.359 0.988 10 30 DCEERN O=C(CCCCCN1C(=O)CCC1=O)ON1C(=O)CCC1=O ZINC000213787984 664937919 /nfs/dbraw/zinc/93/79/19/664937919.db2.gz DLRBIDBYCGAORF-UHFFFAOYSA-N 0 0 310.306 0.303 10 30 DCEERN CC(C)CN1C[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O ZINC000732650919 664950329 /nfs/dbraw/zinc/95/03/29/664950329.db2.gz MDTDCMUWQVNJOF-HIFRSBDPSA-N 0 0 318.421 0.690 10 30 DCEERN CC(C)(C)N1C[C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O ZINC000732651957 664950679 /nfs/dbraw/zinc/95/06/79/664950679.db2.gz KWSVPHVYDPPSTH-GXTWGEPZSA-N 0 0 318.421 0.832 10 30 DCEERN C#CCCNC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000733334452 666490676 /nfs/dbraw/zinc/49/06/76/666490676.db2.gz APTIUFYYEROUEQ-UHFFFAOYSA-N 0 0 309.391 0.558 10 30 DCEERN C#C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC)C(C)C ZINC000700571249 666733147 /nfs/dbraw/zinc/73/31/47/666733147.db2.gz CNPIDVUHALFMNL-OLZOCXBDSA-N 0 0 300.424 0.965 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000733673054 666795269 /nfs/dbraw/zinc/79/52/69/666795269.db2.gz NNISWSLGCRMSFG-UHFFFAOYSA-N 0 0 301.346 0.775 10 30 DCEERN C=C(COC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)OCC ZINC000734028941 666837461 /nfs/dbraw/zinc/83/74/61/666837461.db2.gz GNUNHMNHXCVXPH-UHFFFAOYSA-N 0 0 321.329 0.713 10 30 DCEERN C=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)OCC ZINC000734024500 666839681 /nfs/dbraw/zinc/83/96/81/666839681.db2.gz MBIMHXCDJKSLQK-VXGBXAGGSA-N 0 0 323.345 0.824 10 30 DCEERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(C#N)cc2)cn1 ZINC000862927113 667094148 /nfs/dbraw/zinc/09/41/48/667094148.db2.gz NVLGWXFUVVMQNS-LSDHHAIUSA-N 0 0 312.329 0.868 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(C#N)cn2)C[C@@H]1C ZINC000889227178 667294903 /nfs/dbraw/zinc/29/49/03/667294903.db2.gz 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/nfs/dbraw/zinc/13/60/54/1177136054.db2.gz WFTKMUWSAAGPBH-UHFFFAOYSA-N 0 0 306.284 0.650 10 30 DCEERN CC(C)(C#N)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000170631191 1183678736 /nfs/dbraw/zinc/67/87/36/1183678736.db2.gz ZRTCFJVVYPFIIE-MRXNPFEDSA-N 0 0 314.345 0.907 10 30 DCEERN CCNC(=O)NCCNS(=O)(=O)c1ccc(C#N)s1 ZINC000311570094 1190392159 /nfs/dbraw/zinc/39/21/59/1190392159.db2.gz UOXRJKXLAKZECA-UHFFFAOYSA-N 0 0 302.381 0.217 10 30 DCEERN C=CCC1(O)CN(C(=O)c2c(Br)nnn2C)C1 ZINC000720874173 944594760 /nfs/dbraw/zinc/59/47/60/944594760.db2.gz WNWJMYRKHFLAFP-UHFFFAOYSA-N 0 0 301.144 0.341 10 30 DCEERN C[C@H]1C(=O)NCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736775 185015301 /nfs/dbraw/zinc/01/53/01/185015301.db2.gz YAMFIWILSYDXOD-NSHDSACASA-N 0 0 302.334 0.467 10 30 DCEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329639509 282097140 /nfs/dbraw/zinc/09/71/40/282097140.db2.gz ZHGGBVAJEHGYFS-RWMBFGLXSA-N 0 0 320.397 0.350 10 30 DCEERN C=CCn1cc(CNC(=O)[C@H]2CSCN2C(=O)CC)nn1 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ZINC000613435679 397259558 /nfs/dbraw/zinc/25/95/58/397259558.db2.gz OARIVROVZBPVPN-QWHCGFSZSA-N 0 0 316.423 0.541 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1nnc2n1CCCC2 ZINC000613445339 397260282 /nfs/dbraw/zinc/26/02/82/397260282.db2.gz MLPKNWOOQVGWJQ-CYBMUJFWSA-N 0 0 319.409 0.744 10 30 DCEERN CNC(=O)CN1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000365898473 397332059 /nfs/dbraw/zinc/33/20/59/397332059.db2.gz ZPGXJTKQVFFWOT-UHFFFAOYSA-N 0 0 307.785 0.865 10 30 DCEERN C=C[C@@](C)(O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000613947044 397351155 /nfs/dbraw/zinc/35/11/55/397351155.db2.gz RCRQRKVMDWEVBH-XJKSGUPXSA-N 0 0 306.337 0.980 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000614009558 397360816 /nfs/dbraw/zinc/36/08/16/397360816.db2.gz PUERQNFKVYOIBE-WCQYABFASA-N 0 0 316.423 0.493 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000614016650 397361796 /nfs/dbraw/zinc/36/17/96/397361796.db2.gz KKOKBJRQZWDWJS-YPMHNXCESA-N 0 0 316.423 0.350 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000614076753 397379724 /nfs/dbraw/zinc/37/97/24/397379724.db2.gz BKQZWIWURRVGLI-CQSZACIVSA-N 0 0 321.421 0.928 10 30 DCEERN C=CCOC[C@@H](NCC(C)(C)N1CCOCC1)C(=O)OC ZINC000602645251 397455749 /nfs/dbraw/zinc/45/57/49/397455749.db2.gz QWQQLLQYZHEQBW-CYBMUJFWSA-N 0 0 300.399 0.431 10 30 DCEERN CC(=O)N1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593568797 397396813 /nfs/dbraw/zinc/39/68/13/397396813.db2.gz XCSXNJDLHFKOAB-SECBINFHSA-N 0 0 313.404 0.861 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000425474433 397405929 /nfs/dbraw/zinc/40/59/29/397405929.db2.gz KXVBQKFNGHELFH-PMPSAXMXSA-N 0 0 324.469 0.760 10 30 DCEERN COC(=O)C[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC ZINC000610519626 397828693 /nfs/dbraw/zinc/82/86/93/397828693.db2.gz QVUDAQLVRJLIIS-GFCCVEGCSA-N 0 0 304.302 0.322 10 30 DCEERN C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(C#N)c1 ZINC000610362117 397817190 /nfs/dbraw/zinc/81/71/90/397817190.db2.gz KYWYTUXNUGKMLL-VIFPVBQESA-N 0 0 300.278 0.935 10 30 DCEERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000092350427 158113877 /nfs/dbraw/zinc/11/38/77/158113877.db2.gz KQRJJAUMRBXOPF-LLVKDONJSA-N 0 0 310.379 0.051 10 30 DCEERN N#Cc1ccc(OC2CN(C(=O)c3ccc(C(N)=O)cn3)C2)cc1 ZINC000130819004 158297024 /nfs/dbraw/zinc/29/70/24/158297024.db2.gz VNDZCTWXMPFYRE-UHFFFAOYSA-N 0 0 322.324 0.956 10 30 DCEERN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000172649561 158397447 /nfs/dbraw/zinc/39/74/47/158397447.db2.gz YJTSPSJRQGUGSU-WCQYABFASA-N 0 0 314.345 0.657 10 30 DCEERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183676722 158501552 /nfs/dbraw/zinc/50/15/52/158501552.db2.gz JSHFMSIFTWOKDZ-NWDGAFQWSA-N 0 0 311.301 0.887 10 30 DCEERN N#Cc1ccc(OC2CN(S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000329600539 159105818 /nfs/dbraw/zinc/10/58/18/159105818.db2.gz KDXQSURUGSSNFB-UHFFFAOYSA-N 0 0 323.374 0.198 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000408261260 160071457 /nfs/dbraw/zinc/07/14/57/160071457.db2.gz MYZDYCDGOSDFDK-YNEHKIRRSA-N 0 0 303.366 0.692 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCO[C@H](CC(N)=O)C2)s1 ZINC000630027730 412274273 /nfs/dbraw/zinc/27/42/73/412274273.db2.gz VVTFRWGUERYHHA-SECBINFHSA-N 0 0 310.379 0.457 10 30 DCEERN C=CCCCNC(=O)C(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000342476445 415185867 /nfs/dbraw/zinc/18/58/67/415185867.db2.gz HXQREOSOQKLLHY-BBRMVZONSA-N 0 0 310.394 0.865 10 30 DCEERN C=CCNC(=O)CNC(=O)NC[C@H](O)c1ccccc1OC ZINC000271951168 415267654 /nfs/dbraw/zinc/26/76/54/415267654.db2.gz DPGDANKPVGACAB-LBPRGKRZSA-N 0 0 307.350 0.330 10 30 DCEERN CN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000081247872 415485183 /nfs/dbraw/zinc/48/51/83/415485183.db2.gz VZMUHAMCFUUVQQ-UHFFFAOYSA-N 0 0 314.345 0.847 10 30 DCEERN C=CC1CCN(C(=O)C(=O)Nc2cc(COC)ncn2)CC1 ZINC000091223802 415534104 /nfs/dbraw/zinc/53/41/04/415534104.db2.gz JOMQWZTUKPZLKY-UHFFFAOYSA-N 0 0 304.350 0.986 10 30 DCEERN Cn1cnc(CNC(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000093990626 415547965 /nfs/dbraw/zinc/54/79/65/415547965.db2.gz VYKCCPTVNVZOOH-UHFFFAOYSA-N 0 0 300.322 0.565 10 30 DCEERN C#CCC(CC#C)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000287046677 415639587 /nfs/dbraw/zinc/63/95/87/415639587.db2.gz GARHMZXIDIBPJM-UHFFFAOYSA-N 0 0 314.389 0.550 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)CCOC ZINC000287284034 415652090 /nfs/dbraw/zinc/65/20/90/415652090.db2.gz KXGAQNRPQYSZED-OAHLLOKOSA-N 0 0 323.414 0.798 10 30 DCEERN C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)O)c1 ZINC000118720836 415736862 /nfs/dbraw/zinc/73/68/62/415736862.db2.gz VJFSZGKTIWKHOF-LLVKDONJSA-N 0 0 312.391 0.652 10 30 DCEERN C=CCCOCCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000122430407 415833716 /nfs/dbraw/zinc/83/37/16/415833716.db2.gz NQFSRDZRVYDDOX-HUUCEWRRSA-N 0 0 311.426 0.941 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000291864105 415836391 /nfs/dbraw/zinc/83/63/91/415836391.db2.gz UOTMSRZTLLPGOT-LBPRGKRZSA-N 0 0 316.361 0.873 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 ZINC000123141524 415839570 /nfs/dbraw/zinc/83/95/70/415839570.db2.gz SVKJERBSJGRRLM-VXGBXAGGSA-N 0 0 300.384 0.470 10 30 DCEERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(CC#N)CC#N ZINC000126658331 415877441 /nfs/dbraw/zinc/87/74/41/415877441.db2.gz CYQHSLFOEIMNTN-JTQLQIEISA-N 0 0 324.337 0.368 10 30 DCEERN C=CCNC(=O)CN1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000355445883 415861895 /nfs/dbraw/zinc/86/18/95/415861895.db2.gz JLHBJJQRTIFCBB-INIZCTEOSA-N 0 0 311.426 0.449 10 30 DCEERN C#Cc1ccc(CNC(=O)N[C@@H](CC)CNS(C)(=O)=O)cc1 ZINC000297444072 415963515 /nfs/dbraw/zinc/96/35/15/415963515.db2.gz BDRYYFKCQCRFDU-AWEZNQCLSA-N 0 0 323.418 0.795 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000337260675 415937353 /nfs/dbraw/zinc/93/73/53/415937353.db2.gz WRYOBIQYUHNRCX-GFCCVEGCSA-N 0 0 308.382 0.839 10 30 DCEERN CS(=O)(=O)CCCC(=O)NCCOc1ccc(C#N)cc1 ZINC000173888050 416068364 /nfs/dbraw/zinc/06/83/64/416068364.db2.gz HTSDYABWDWGWQL-UHFFFAOYSA-N 0 0 310.375 0.878 10 30 DCEERN C=CCNC(=O)CN1CCN(CCc2c(C)noc2C)CC1 ZINC000164591127 416018481 /nfs/dbraw/zinc/01/84/81/416018481.db2.gz OKEJEOHEQTVRNB-UHFFFAOYSA-N 0 0 306.410 0.754 10 30 DCEERN N#Cc1cccc(N2CCN(CCN3C(=O)CCC3=O)CC2)n1 ZINC000301827534 416093530 /nfs/dbraw/zinc/09/35/30/416093530.db2.gz JRHIMSJGTQHAAR-UHFFFAOYSA-N 0 0 313.361 0.224 10 30 DCEERN C=CCC[C@H](CO)NS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000320299369 416119850 /nfs/dbraw/zinc/11/98/50/416119850.db2.gz RUFZRUYLYLIXEN-SECBINFHSA-N 0 0 317.367 0.192 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Cc2ccccc2N)CC1 ZINC000322114780 416121113 /nfs/dbraw/zinc/12/11/13/416121113.db2.gz PSUZSGDOZRYWJR-UHFFFAOYSA-N 0 0 316.405 0.258 10 30 DCEERN [O-]C(NCC1CCSCC1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329051159 416146469 /nfs/dbraw/zinc/14/64/69/416146469.db2.gz KVZLAZJKVIIFEP-NWDGAFQWSA-N 0 0 311.411 0.865 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)s1 ZINC000338874074 416147451 /nfs/dbraw/zinc/14/74/51/416147451.db2.gz MVJSVOZGPTYHMO-LLVKDONJSA-N 0 0 321.402 1.561 10 30 DCEERN CCS(=O)(=O)N1CCC(NC(=O)c2cc(C#N)cn2C)CC1 ZINC000177825332 416152719 /nfs/dbraw/zinc/15/27/19/416152719.db2.gz AUVUIHGJXUQASV-UHFFFAOYSA-N 0 0 324.406 0.441 10 30 DCEERN CN(C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)C1CC(O)C1 ZINC000329755974 416189340 /nfs/dbraw/zinc/18/93/40/416189340.db2.gz YKIXSBYJKUCGKK-DLOFLVKXSA-N 0 0 308.382 0.867 10 30 DCEERN Cc1ccc(NC(=O)Cn2ccnc2C#N)cc1S(N)(=O)=O ZINC000179887295 416192162 /nfs/dbraw/zinc/19/21/62/416192162.db2.gz LYLQENREJBEKLF-UHFFFAOYSA-N 0 0 319.346 0.349 10 30 DCEERN N#Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c[nH]1 ZINC000181353240 416206043 /nfs/dbraw/zinc/20/60/43/416206043.db2.gz AEWZHQJPSQKIPG-ZDUSSCGKSA-N 0 0 322.390 0.526 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1=O ZINC000341608406 416214452 /nfs/dbraw/zinc/21/44/52/416214452.db2.gz IITSBWIZAZCUEV-UONOGXRCSA-N 0 0 321.421 0.879 10 30 DCEERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1=O ZINC000329287624 416162202 /nfs/dbraw/zinc/16/22/02/416162202.db2.gz PGYQHSANQBLSDC-QNWJLWSRSA-N 0 0 323.393 0.588 10 30 DCEERN CCn1nc(C(=O)N[C@@H]2CC(=O)N(C)C2)c(=O)c2ccccc21 ZINC000329306916 416163098 /nfs/dbraw/zinc/16/30/98/416163098.db2.gz BIDLPGCLNSYABA-SNVBAGLBSA-N 0 0 314.345 0.952 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000183576755 416246482 /nfs/dbraw/zinc/24/64/82/416246482.db2.gz WZMKMDFOIOVZPI-AWEZNQCLSA-N 0 0 305.378 0.825 10 30 DCEERN C[C@@H](C(=O)Nc1ccc2nc[nH]c(=O)c2c1)n1cnc(C#N)n1 ZINC000359137415 416307969 /nfs/dbraw/zinc/30/79/69/416307969.db2.gz LGCRNZOWYFLKKC-QMMMGPOBSA-N 0 0 309.289 0.998 10 30 DCEERN N#Cc1cncc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c1 ZINC000352246702 416309592 /nfs/dbraw/zinc/30/95/92/416309592.db2.gz IYEUPCZGZIZTJJ-VIFPVBQESA-N 0 0 309.269 0.545 10 30 DCEERN COc1cc(S(=O)(=O)N2CCN(CC#N)CC2)ccc1F ZINC000190602231 416282027 /nfs/dbraw/zinc/28/20/27/416282027.db2.gz YGIYNUONJJIKNC-UHFFFAOYSA-N 0 0 313.354 0.664 10 30 DCEERN C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515625 416326684 /nfs/dbraw/zinc/32/66/84/416326684.db2.gz XHLFNRLGKNJEOE-CYBMUJFWSA-N 0 0 317.393 0.827 10 30 DCEERN CC(C)[C@]1(CO)CCCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 ZINC000360158841 416375540 /nfs/dbraw/zinc/37/55/40/416375540.db2.gz UCUALRHNLUQYPB-IUODEOHRSA-N 0 0 305.382 0.968 10 30 DCEERN C=CCn1cc(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)nn1 ZINC000598259986 416602585 /nfs/dbraw/zinc/60/25/85/416602585.db2.gz ICGJFZJBRIAXEO-UHFFFAOYSA-N 0 0 318.337 0.821 10 30 DCEERN CN1CCN(Cc2ccccc2)[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000596551651 416584628 /nfs/dbraw/zinc/58/46/28/416584628.db2.gz LYXWCYANQISMCU-KRWDZBQOSA-N 0 0 322.416 1.576 10 30 DCEERN Cc1cccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1C#N ZINC000368726002 416686759 /nfs/dbraw/zinc/68/67/59/416686759.db2.gz AWSZIPTXNVWHQU-ZDUSSCGKSA-N 0 0 321.402 0.572 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCc1ccccn1 ZINC000425892694 416733678 /nfs/dbraw/zinc/73/36/78/416733678.db2.gz WBTITJLACOCGTJ-ZFWWWQNUSA-N 0 0 317.389 0.838 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(CN2CCOCC2)C1 ZINC000615149295 416773928 /nfs/dbraw/zinc/77/39/28/416773928.db2.gz YQENDGJQIZONNL-OAHLLOKOSA-N 0 0 309.410 0.248 10 30 DCEERN C=CCOc1cccnc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000428146534 416881333 /nfs/dbraw/zinc/88/13/33/416881333.db2.gz PAZFAOTZMQVVAK-ZDUSSCGKSA-N 0 0 305.378 0.785 10 30 DCEERN C=CC[C@H](C)NC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000623623327 416857147 /nfs/dbraw/zinc/85/71/47/416857147.db2.gz IRXSZVPTIKAVJN-RYUDHWBXSA-N 0 0 303.428 0.922 10 30 DCEERN C=C(C)COCCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632105402 416908740 /nfs/dbraw/zinc/90/87/40/416908740.db2.gz SMSODBZMLRZESW-GFCCVEGCSA-N 0 0 302.396 0.262 10 30 DCEERN Cc1nn(C)c(N2CCN(C(=O)c3ccnnc3)CC2)c1C#N ZINC000615966010 416943593 /nfs/dbraw/zinc/94/35/93/416943593.db2.gz ACJRYNWCYLOCQX-UHFFFAOYSA-N 0 0 311.349 0.353 10 30 DCEERN C=CCOCCNS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632194697 416954769 /nfs/dbraw/zinc/95/47/69/416954769.db2.gz XZSNKHDJZKMPPB-UHFFFAOYSA-N 0 0 313.301 0.920 10 30 DCEERN Cc1noc(CN2CCN(C(=O)NCC3(C#N)CC3)CC2)n1 ZINC000521528240 417016792 /nfs/dbraw/zinc/01/67/92/417016792.db2.gz UWFXOPTZQKFBMD-UHFFFAOYSA-N 0 0 304.354 0.509 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC000616480484 417059712 /nfs/dbraw/zinc/05/97/12/417059712.db2.gz FZJMHRNRAQKTBA-BBRMVZONSA-N 0 0 312.410 0.751 10 30 DCEERN CC#CC[C@H](CO)NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000616506283 417064448 /nfs/dbraw/zinc/06/44/48/417064448.db2.gz UMQKINWCPPMZAE-GRYCIOLGSA-N 0 0 323.311 0.861 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000377824336 417067623 /nfs/dbraw/zinc/06/76/23/417067623.db2.gz RCQXDJRRHYHLBH-QWHCGFSZSA-N 0 0 300.428 0.635 10 30 DCEERN C=CCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1O ZINC000616583163 417079982 /nfs/dbraw/zinc/07/99/82/417079982.db2.gz OMBCPFYQIULSGV-JXEZDRHFSA-N 0 0 308.330 0.750 10 30 DCEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC000624851527 417125108 /nfs/dbraw/zinc/12/51/08/417125108.db2.gz ZCASRIJYTWAUSN-SNVBAGLBSA-N 0 0 301.354 0.427 10 30 DCEERN C=CCC1(NS(=O)(=O)[C@@H]2CC(=O)N(CC)C2)CCOCC1 ZINC000632555785 417162937 /nfs/dbraw/zinc/16/29/37/417162937.db2.gz RRQHURIQHMXEEA-GFCCVEGCSA-N 0 0 316.423 0.652 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408244599 417148367 /nfs/dbraw/zinc/14/83/67/417148367.db2.gz PQSFGYGWIIXUKH-UPJWGTAASA-N 0 0 316.423 0.796 10 30 DCEERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000408281642 417152588 /nfs/dbraw/zinc/15/25/88/417152588.db2.gz PXNNLJNFTBTKBN-JTQLQIEISA-N 0 0 311.407 0.421 10 30 DCEERN C=CCCn1cc(CNS(=O)(=O)[C@H]2CCO[C@H](C)C2)nn1 ZINC000632636044 417208977 /nfs/dbraw/zinc/20/89/77/417208977.db2.gz YKWXUPKSEIUXQX-YPMHNXCESA-N 0 0 314.411 0.841 10 30 DCEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](OC)C[C@]2(C)CO)C1 ZINC000632718973 417240325 /nfs/dbraw/zinc/24/03/25/417240325.db2.gz 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/nfs/dbraw/zinc/54/51/22/417545122.db2.gz AEKFBWDXRIJOEJ-BETUJISGSA-N 0 0 315.329 0.431 10 30 DCEERN C=CCN(C(=O)C(C)(C)n1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000622798146 417508452 /nfs/dbraw/zinc/50/84/52/417508452.db2.gz NWCGWADSBJVBPR-LBPRGKRZSA-N 0 0 311.407 0.820 10 30 DCEERN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000627832471 417512576 /nfs/dbraw/zinc/51/25/76/417512576.db2.gz SOIZYVIAQFLHNG-UMSPYCQHSA-N 0 0 317.345 0.570 10 30 DCEERN CC(=O)N[C@@H]1/C(=N\O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O ZINC000575124457 417513445 /nfs/dbraw/zinc/51/34/45/417513445.db2.gz PIYCZWMJRKZNLW-HYPNKSNCSA-N 0 0 322.317 0.153 10 30 DCEERN C=C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000628149168 417578841 /nfs/dbraw/zinc/57/88/41/417578841.db2.gz OWUGUZRPNHANFS-MRVPVSSYSA-N 0 0 302.327 0.058 10 30 DCEERN C=CC(C)(C)CCNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000628316544 417606429 /nfs/dbraw/zinc/60/64/29/417606429.db2.gz YNDWACAHTHXBLK-CYBMUJFWSA-N 0 0 309.410 0.832 10 30 DCEERN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000455951191 417620018 /nfs/dbraw/zinc/62/00/18/417620018.db2.gz GVOJAFKPTCDONE-CQSZACIVSA-N 0 0 316.361 0.972 10 30 DCEERN C=CC[C@H]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000628489492 417626335 /nfs/dbraw/zinc/62/63/35/417626335.db2.gz XKOOWHFGAQHZAL-ZDUSSCGKSA-N 0 0 318.439 0.755 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C1 ZINC000628492427 417626729 /nfs/dbraw/zinc/62/67/29/417626729.db2.gz ULPZZBQTCXPNNW-OLZOCXBDSA-N 0 0 309.410 0.817 10 30 DCEERN C=CC[C@H]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000628492655 417626742 /nfs/dbraw/zinc/62/67/42/417626742.db2.gz ZCPOUSRJFIACHZ-RYUDHWBXSA-N 0 0 301.412 0.327 10 30 DCEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000458022758 417717307 /nfs/dbraw/zinc/71/73/07/417717307.db2.gz HDPLLSBGHWOZKW-YCPHGPKFSA-N 0 0 318.373 0.773 10 30 DCEERN C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](OCC)C2CC2)c1=O ZINC000629106251 417745329 /nfs/dbraw/zinc/74/53/29/417745329.db2.gz RIKJILBTMDFJJY-ZDUSSCGKSA-N 0 0 321.377 0.359 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C)C(=O)C2(C)C)cc1C#N ZINC000320341583 261177204 /nfs/dbraw/zinc/17/72/04/261177204.db2.gz JMSIHPPGAPHPEM-UHFFFAOYSA-N 0 0 322.390 0.503 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C#N)oc1C ZINC000437183916 267130697 /nfs/dbraw/zinc/13/06/97/267130697.db2.gz ZPLDHAIGIFVZNN-RKDXNWHRSA-N 0 0 321.333 0.646 10 30 DCEERN CCS(=O)(=O)NCCCNC(=O)Cc1cccc(C#N)c1 ZINC000530910258 267178626 /nfs/dbraw/zinc/17/86/26/267178626.db2.gz WNZUNGLEEYXDBI-UHFFFAOYSA-N 0 0 309.391 0.546 10 30 DCEERN CC(C)OC(=O)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(C)C ZINC000452878612 269621726 /nfs/dbraw/zinc/62/17/26/269621726.db2.gz RTEITUPHZSCQBN-PWSUYJOCSA-N 0 0 307.354 0.803 10 30 DCEERN C[C@@H](O)C(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000535743041 287840644 /nfs/dbraw/zinc/84/06/44/287840644.db2.gz HZLOSLLPHIDTHI-GFCCVEGCSA-N 0 0 301.346 0.152 10 30 DCEERN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000546002047 288012153 /nfs/dbraw/zinc/01/21/53/288012153.db2.gz RDYUAXMXQQZMGP-SNVBAGLBSA-N 0 0 303.322 0.841 10 30 DCEERN CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@]1(F)C#N ZINC000095921488 278221321 /nfs/dbraw/zinc/22/13/21/278221321.db2.gz TVLDSZTUKGEGGQ-NNYUYHANSA-N 0 0 303.242 0.001 10 30 DCEERN N#Cc1c(Br)cccc1N1CC[C@@](O)(C(N)=O)C1 ZINC000290945758 294858083 /nfs/dbraw/zinc/85/80/83/294858083.db2.gz LYVYPALVYXXCSY-LBPRGKRZSA-N 0 0 310.151 0.747 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CC[S@](=O)CC[C@@H]1C ZINC000407971527 298277270 /nfs/dbraw/zinc/27/72/70/298277270.db2.gz BSKSYYXANUMRPR-LIBAHTEVSA-N 0 0 307.441 0.308 10 30 DCEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329556156 300377705 /nfs/dbraw/zinc/37/77/05/300377705.db2.gz BRTSETBTBXVQCV-YGNMPJRFSA-N 0 0 316.423 0.833 10 30 DCEERN Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)c([N+](=O)[O-])c1 ZINC000408208332 301675966 /nfs/dbraw/zinc/67/59/66/301675966.db2.gz LZGKGKNAZIJYEH-SNVBAGLBSA-N 0 0 311.319 0.816 10 30 DCEERN N#Cc1ncccc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000277065478 303218411 /nfs/dbraw/zinc/21/84/11/303218411.db2.gz RVBOKYVCDYFFTR-SNVBAGLBSA-N 0 0 321.280 0.641 10 30 DCEERN CC[C@@H](CO)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000085600957 332013527 /nfs/dbraw/zinc/01/35/27/332013527.db2.gz VEAIXNYVFHGKNH-ZDUSSCGKSA-N 0 0 320.397 0.717 10 30 DCEERN C=CCn1cc(CNC(=O)NCC[C@H](O)C(F)(F)F)nn1 ZINC000425568486 335103997 /nfs/dbraw/zinc/10/39/97/335103997.db2.gz VZGYCNVHAXYOAM-VIFPVBQESA-N 0 0 307.276 0.577 10 30 DCEERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CC1(C#N)CC1)CC2 ZINC000165322199 332655098 /nfs/dbraw/zinc/65/50/98/332655098.db2.gz MEXZYNKPRYWJAD-JTQLQIEISA-N 0 0 309.395 0.378 10 30 DCEERN C=CCN(C(=O)c1cc(C)nc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000330820461 334813677 /nfs/dbraw/zinc/81/36/77/334813677.db2.gz DMDNETSCKSZVJH-GFCCVEGCSA-N 0 0 309.391 0.909 10 30 DCEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000444565965 338475132 /nfs/dbraw/zinc/47/51/32/338475132.db2.gz CZLIEOMTIXATAP-SNVBAGLBSA-N 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/nfs/dbraw/zinc/55/60/63/774556063.db2.gz VTJCWQPDKSHHRV-UHFFFAOYSA-N 0 0 311.392 0.659 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000278769068 214386695 /nfs/dbraw/zinc/38/66/95/214386695.db2.gz PIRAKKVIBXQBPH-LLVKDONJSA-N 0 0 302.338 0.936 10 30 DCEERN COCCN(CCCC#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000097027816 185399189 /nfs/dbraw/zinc/39/91/89/185399189.db2.gz UPMKARKEUZMXRP-UHFFFAOYSA-N 0 0 323.397 0.531 10 30 DCEERN CN(CC(N)=O)C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CCO1 ZINC000372546448 529851677 /nfs/dbraw/zinc/85/16/77/529851677.db2.gz RRNNGSYNKPMUBN-CYBMUJFWSA-N 0 0 322.409 0.105 10 30 DCEERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000179077031 529918798 /nfs/dbraw/zinc/91/87/98/529918798.db2.gz WEYITLUQCILUOI-GFCCVEGCSA-N 0 0 320.324 0.523 10 30 DCEERN CNC(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000363254680 529944784 /nfs/dbraw/zinc/94/47/84/529944784.db2.gz KNAKSDZUGLLHSR-OAHLLOKOSA-N 0 0 312.373 0.859 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000172058638 198032956 /nfs/dbraw/zinc/03/29/56/198032956.db2.gz BHBQJWVLPXEIRX-CYBMUJFWSA-N 0 0 322.390 0.391 10 30 DCEERN O=C(CCN1C(=O)c2ccccc2C1=O)ON1C(=O)CCC1=O ZINC000003188247 180989313 /nfs/dbraw/zinc/98/93/13/180989313.db2.gz PUOCCOWFJGFCDA-UHFFFAOYSA-N 0 0 316.269 0.280 10 30 DCEERN N#Cc1cc(S(=O)(=O)NCCOCCO)ccc1Cl ZINC000158110906 237065043 /nfs/dbraw/zinc/06/50/43/237065043.db2.gz NPGASNAHGVIAGV-UHFFFAOYSA-N 0 0 304.755 0.499 10 30 DCEERN C[C@@H]1C(=O)N(C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000187005739 237339631 /nfs/dbraw/zinc/33/96/31/237339631.db2.gz WDQYAHKZNRFRAL-GFCCVEGCSA-N 0 0 321.402 0.494 10 30 DCEERN CN1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O ZINC000160480590 291238778 /nfs/dbraw/zinc/23/87/78/291238778.db2.gz FNRNQGGXBMAQEX-NSHDSACASA-N 0 0 313.766 0.721 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](CO)C1 ZINC000329737694 238655186 /nfs/dbraw/zinc/65/51/86/238655186.db2.gz MHYSUZZKVMFPBL-OUCADQQQSA-N 0 0 324.381 0.105 10 30 DCEERN N#CCOc1ccccc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000364719359 239122462 /nfs/dbraw/zinc/12/24/62/239122462.db2.gz ATLUJGOIELSWMW-CYBMUJFWSA-N 0 0 301.346 0.746 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000374538413 239211173 /nfs/dbraw/zinc/21/11/73/239211173.db2.gz RAGYVWSNAWVNGN-DGCLKSJQSA-N 0 0 311.411 0.137 10 30 DCEERN N#C[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)CCN1C1CC1 ZINC000374779807 239214839 /nfs/dbraw/zinc/21/48/39/239214839.db2.gz LIABTRTVXYYHBM-JTQLQIEISA-N 0 0 318.299 0.254 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)o1 ZINC000376273845 239227079 /nfs/dbraw/zinc/22/70/79/239227079.db2.gz MIXSGNNWJGBUEJ-LLVKDONJSA-N 0 0 306.347 0.512 10 30 DCEERN Cn1cnc2c1nccc2C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000376313870 239227948 /nfs/dbraw/zinc/22/79/48/239227948.db2.gz KPVUCTYGRNMFOJ-GFCCVEGCSA-N 0 0 310.361 0.781 10 30 DCEERN N#C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C1CC1 ZINC000376954905 239233773 /nfs/dbraw/zinc/23/37/73/239233773.db2.gz ATAXKQSDFKDTNZ-LBPRGKRZSA-N 0 0 315.333 0.989 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000457390833 241000242 /nfs/dbraw/zinc/00/02/42/241000242.db2.gz AQCBLNJCHYSSKD-MRXNPFEDSA-N 0 0 309.410 0.392 10 30 DCEERN C=CCOc1ccccc1CNC(=O)CN1CC(=O)NC1=O ZINC000264922262 204270930 /nfs/dbraw/zinc/27/09/30/204270930.db2.gz KMBOORIBRIYFEW-UHFFFAOYSA-N 0 0 303.318 0.419 10 30 DCEERN C=CCNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000040867421 183144605 /nfs/dbraw/zinc/14/46/05/183144605.db2.gz KRSBRQALWDQMLA-UHFFFAOYSA-N 0 0 303.274 0.883 10 30 DCEERN CCCNC(=O)CN1CCC(Nc2cnc(C#N)cn2)CC1 ZINC000106464485 194218939 /nfs/dbraw/zinc/21/89/39/194218939.db2.gz BCMJDSLWGFGMMU-UHFFFAOYSA-N 0 0 302.382 0.751 10 30 DCEERN C=CC[C@H](CO)NC(=O)C1(C(=O)N[C@H](CO)CC=C)CCC1 ZINC000273617780 210921654 /nfs/dbraw/zinc/92/16/54/210921654.db2.gz XZQXDNIEABXHKD-BETUJISGSA-N 0 0 310.394 0.263 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)OC 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C=CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000273565620 395930343 /nfs/dbraw/zinc/93/03/43/395930343.db2.gz ZICNWLAHIYDFBZ-SNVBAGLBSA-N 0 0 317.338 0.828 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000273347185 395914732 /nfs/dbraw/zinc/91/47/32/395914732.db2.gz BAVFHIBTXVMHGJ-NSHDSACASA-N 0 0 308.334 0.226 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1 ZINC000273458878 395923210 /nfs/dbraw/zinc/92/32/10/395923210.db2.gz VKSXEUUHBWFUEX-SNVBAGLBSA-N 0 0 323.349 0.194 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000273513983 395926571 /nfs/dbraw/zinc/92/65/71/395926571.db2.gz MQMNHYRTWHHGJS-CYBMUJFWSA-N 0 0 312.391 0.538 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000057385002 395943821 /nfs/dbraw/zinc/94/38/21/395943821.db2.gz AXAFYVQOYVDJSJ-UHFFFAOYSA-N 0 0 318.421 0.907 10 30 DCEERN O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCc2ncnn2C1 ZINC000137248283 395950754 /nfs/dbraw/zinc/95/07/54/395950754.db2.gz QNHZBHGAZSWWKH-LBPRGKRZSA-N 0 0 310.313 0.490 10 30 DCEERN N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCOC3)CC2)nc1 ZINC000171611366 396120639 /nfs/dbraw/zinc/12/06/39/396120639.db2.gz IRHOFZPWUZQLNE-AWEZNQCLSA-N 0 0 315.377 0.964 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000074190942 396159958 /nfs/dbraw/zinc/15/99/58/396159958.db2.gz MCFYQFACDCYXIB-UHFFFAOYSA-N 0 0 323.437 0.518 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000074812687 396173123 /nfs/dbraw/zinc/17/31/23/396173123.db2.gz FRJCSHUKURMEFX-UHFFFAOYSA-N 0 0 305.359 0.554 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075924557 396190370 /nfs/dbraw/zinc/19/03/70/396190370.db2.gz IZOZNRMLWFELIT-GFCCVEGCSA-N 0 0 324.425 0.718 10 30 DCEERN CCc1nn(CCCS(=O)(=O)NC)c(=O)c(C#N)c1CC ZINC000078610614 396249025 /nfs/dbraw/zinc/24/90/25/396249025.db2.gz CAPMAMWGEANELO-UHFFFAOYSA-N 0 0 312.395 0.179 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000081665139 396306958 /nfs/dbraw/zinc/30/69/58/396306958.db2.gz HDPPSCIPFYFQMC-LLVKDONJSA-N 0 0 310.379 0.051 10 30 DCEERN N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCC2CC2)cn1 ZINC000185703387 396333509 /nfs/dbraw/zinc/33/35/09/396333509.db2.gz CPLWTKYOTXPFNH-UHFFFAOYSA-N 0 0 324.344 0.994 10 30 DCEERN C=CCCCCCNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000580903309 396510261 /nfs/dbraw/zinc/51/02/61/396510261.db2.gz SNPSVPWKEJDOSF-UHFFFAOYSA-N 0 0 314.411 0.783 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCn2nnc(C3CC3)n2)c1 ZINC000193416856 396450672 /nfs/dbraw/zinc/45/06/72/396450672.db2.gz SPFXTCQQUHVSEE-UHFFFAOYSA-N 0 0 303.347 0.896 10 30 DCEERN C=CCCCCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000518215642 396517532 /nfs/dbraw/zinc/51/75/32/396517532.db2.gz XKFLCJKDUUBBBH-UHFFFAOYSA-N 0 0 300.384 0.393 10 30 DCEERN C=CCNC(=O)NC(=O)CN(CC(=O)OC)C1CCCCC1 ZINC000595662239 396643897 /nfs/dbraw/zinc/64/38/97/396643897.db2.gz GDCWIFKXZJGZLL-UHFFFAOYSA-N 0 0 311.382 0.806 10 30 DCEERN Cc1cc(C#N)cc(N2CCN(CC(=O)NC(C)C)CC2)n1 ZINC000585702257 396649224 /nfs/dbraw/zinc/64/92/24/396649224.db2.gz GYZGHXAUHAOVBE-UHFFFAOYSA-N 0 0 301.394 0.908 10 30 DCEERN C=C[C@@H](C(=O)OC)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595634607 396641052 /nfs/dbraw/zinc/64/10/52/396641052.db2.gz CWZQHCQMHHKWIX-CIUDSAMLSA-N 0 0 315.313 0.621 10 30 DCEERN Cc1cc(C#N)cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000587313411 396671174 /nfs/dbraw/zinc/67/11/74/396671174.db2.gz HKDBPSQKPXPVPL-UHFFFAOYSA-N 0 0 313.361 0.189 10 30 DCEERN C[C@@H](O)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000301394320 396715795 /nfs/dbraw/zinc/71/57/95/396715795.db2.gz KIUFRIGDYWAJLJ-SNVBAGLBSA-N 0 0 309.391 0.803 10 30 DCEERN COC(C)(C)CNC(=O)N(CC(N)=O)C[C@@H]1CN(C)CCO1 ZINC000328630598 396827237 /nfs/dbraw/zinc/82/72/37/396827237.db2.gz JOZQVGWGHLLCQD-NSHDSACASA-N 0 0 316.402 0.493 10 30 DCEERN C=CCCCS(=O)(=O)N1CCN(c2ncns2)CC1 ZINC000625276678 396827616 /nfs/dbraw/zinc/82/76/16/396827616.db2.gz VGAISMXWFLWHEA-UHFFFAOYSA-N 0 0 302.425 0.956 10 30 DCEERN C=CCn1c(COCCOC)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000634338814 396844043 /nfs/dbraw/zinc/84/40/43/396844043.db2.gz NXBKOFXLCROOTM-BETUJISGSA-N 0 0 308.382 0.995 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CC2CCC2)C1=O ZINC000634367990 396845110 /nfs/dbraw/zinc/84/51/10/396845110.db2.gz VUCMVRIGBJDVDL-JTQLQIEISA-N 0 0 307.350 0.658 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000611548333 396884693 /nfs/dbraw/zinc/88/46/93/396884693.db2.gz QXUZGVXJNHYFFT-UHFFFAOYSA-N 0 0 324.308 0.870 10 30 DCEERN C=CCOCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000611545098 396884942 /nfs/dbraw/zinc/88/49/42/396884942.db2.gz SOPHQJNULPMVCF-UHFFFAOYSA-N 0 0 322.386 0.792 10 30 DCEERN C=CCOCCNC(=O)N1CCC([C@@H](O)C(=O)OC)CC1 ZINC000611564391 396887280 /nfs/dbraw/zinc/88/72/80/396887280.db2.gz WSEVOCAMXDBBRD-GFCCVEGCSA-N 0 0 300.355 0.145 10 30 DCEERN C=C[C@H](O)C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600538679 396887452 /nfs/dbraw/zinc/88/74/52/396887452.db2.gz VGODDTLPAQXRLZ-FZMZJTMJSA-N 0 0 308.290 0.646 10 30 DCEERN 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NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)CN1CCOCC1 ZINC000328603472 416123989 /nfs/dbraw/zinc/12/39/89/416123989.db2.gz GCYWEMHCQFOFAL-QWRGUYRKSA-N 0 0 302.350 0.223 10 30 DCEERN C[C@](O)(CNC(=O)c1sccc1C#N)CN1CCOCC1 ZINC000176488562 416127391 /nfs/dbraw/zinc/12/73/91/416127391.db2.gz BLQQREISWCIETA-AWEZNQCLSA-N 0 0 309.391 0.433 10 30 DCEERN C[C@@](O)(CNC(=O)NCCn1cnc(C#N)n1)C1CCCCC1 ZINC000357874937 416146266 /nfs/dbraw/zinc/14/62/66/416146266.db2.gz HJJWYYDFQWZESZ-OAHLLOKOSA-N 0 0 320.397 0.780 10 30 DCEERN NC(=O)CC1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329072604 416148156 /nfs/dbraw/zinc/14/81/56/416148156.db2.gz ZONUSENRJKKKJB-NWDGAFQWSA-N 0 0 322.369 0.769 10 30 DCEERN CO[C@H]1C[C@@H](CO)N(C(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000329082804 416148166 /nfs/dbraw/zinc/14/81/66/416148166.db2.gz SGZVKDHUQQJHKP-AVGNSLFASA-N 0 0 308.382 0.756 10 30 DCEERN CC#CCN(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000339127739 416152353 /nfs/dbraw/zinc/15/23/53/416152353.db2.gz 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/nfs/dbraw/zinc/47/63/64/528476364.db2.gz PUTYZFOATIHRME-NSHDSACASA-N 0 0 311.411 0.939 10 30 DCEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000247065907 528620849 /nfs/dbraw/zinc/62/08/49/528620849.db2.gz GFQVQMCFUUOLOK-UONOGXRCSA-N 0 0 304.398 0.923 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247205188 528851690 /nfs/dbraw/zinc/85/16/90/528851690.db2.gz USTUETMWGDNJSE-GDBMZVCRSA-N 0 0 308.426 0.447 10 30 DCEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2COCCN2)cc1 ZINC000150885718 545810607 /nfs/dbraw/zinc/81/06/07/545810607.db2.gz FGTVEADLYVGEDD-ZDUSSCGKSA-N 0 0 304.350 0.921 10 30 DCEERN CC1(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)COC1 ZINC000329290184 546046394 /nfs/dbraw/zinc/04/63/94/546046394.db2.gz QJZKCDLAEPRFGU-GFCCVEGCSA-N 0 0 311.382 0.260 10 30 DCEERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000332779810 546060017 /nfs/dbraw/zinc/06/00/17/546060017.db2.gz DKVLBILZMQDZQG-NDBYEHHHSA-N 0 0 318.381 0.979 10 30 DCEERN C#CCOC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000138184267 667773100 /nfs/dbraw/zinc/77/31/00/667773100.db2.gz XOQKSVORRWKWFF-SNVBAGLBSA-N 0 0 319.379 0.491 10 30 DCEERN C#CCCS(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000289205943 657672453 /nfs/dbraw/zinc/67/24/53/657672453.db2.gz PKNQEVIGXPXHJP-AWEZNQCLSA-N 0 0 324.377 0.869 10 30 DCEERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOC[C@H]1C#N ZINC000255915056 659025640 /nfs/dbraw/zinc/02/56/40/659025640.db2.gz YKLZSOJLHYKGGW-DGCLKSJQSA-N 0 0 303.366 0.439 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(C)C2=O)c1 ZINC000294555497 659574068 /nfs/dbraw/zinc/57/40/68/659574068.db2.gz SNSRDRGHKXJXOF-CQSZACIVSA-N 0 0 313.357 0.591 10 30 DCEERN C#CCNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000729728446 662908319 /nfs/dbraw/zinc/90/83/19/662908319.db2.gz RPILCTLLKSUEPZ-UHFFFAOYSA-N 0 0 319.708 0.222 10 30 DCEERN Cc1nc(C)c(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(=O)[nH]1 ZINC000732663721 664950473 /nfs/dbraw/zinc/95/04/73/664950473.db2.gz DBEYRIWVKIIZFZ-ZDUSSCGKSA-N 0 0 315.377 0.540 10 30 DCEERN N#C[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CC2)CCN1C1CC1 ZINC000732664647 664950569 /nfs/dbraw/zinc/95/05/69/664950569.db2.gz SLOFECXEAPTSGJ-ZDUSSCGKSA-N 0 0 302.378 0.244 10 30 DCEERN CC(C)(C)N1C[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O ZINC000732651959 664950754 /nfs/dbraw/zinc/95/07/54/664950754.db2.gz KWSVPHVYDPPSTH-OCCSQVGLSA-N 0 0 318.421 0.832 10 30 DCEERN C#CCCNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000733673359 666795764 /nfs/dbraw/zinc/79/57/64/666795764.db2.gz XWJMRRXPFOYSNC-ZDUSSCGKSA-N 0 0 316.313 0.093 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000733673234 666795832 /nfs/dbraw/zinc/79/58/32/666795832.db2.gz UJVADZIBLZZBQF-UHFFFAOYSA-N 0 0 310.256 0.829 10 30 DCEERN C=C(COC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)OCC ZINC000734026671 666836957 /nfs/dbraw/zinc/83/69/57/666836957.db2.gz OTIQKXGUXZXXAH-UHFFFAOYSA-N 0 0 313.331 0.610 10 30 DCEERN C=C(COC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)OCC ZINC000734029365 666837458 /nfs/dbraw/zinc/83/74/58/666837458.db2.gz LYHABATVSIQOHC-LBPRGKRZSA-N 0 0 323.349 0.565 10 30 DCEERN C=CC[C@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000703687190 667129570 /nfs/dbraw/zinc/12/95/70/667129570.db2.gz HDRQEXOWPREPQJ-QWHCGFSZSA-N 0 0 300.424 0.578 10 30 DCEERN C#CC1(O)CCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000708183622 667442124 /nfs/dbraw/zinc/44/21/24/667442124.db2.gz QCMXAGOAVQLFKY-STQMWFEESA-N 0 0 300.424 0.669 10 30 DCEERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)C#CC(C)(C)C)C1 ZINC000886095262 667731757 /nfs/dbraw/zinc/73/17/57/667731757.db2.gz PHCDBVPXBNPUDL-MRXNPFEDSA-N 0 0 304.394 0.761 10 30 DCEERN C=CCn1nnn(CN(C)C[C@H]2CCS(=O)(=O)C2)c1=S ZINC000740867075 667753730 /nfs/dbraw/zinc/75/37/30/667753730.db2.gz LWZLBNKKSQZGHN-SNVBAGLBSA-N 0 0 317.440 0.319 10 30 DCEERN C#CCN1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 ZINC000130360585 669615623 /nfs/dbraw/zinc/61/56/23/669615623.db2.gz KELTZCUUEVUMOA-UHFFFAOYSA-N 0 0 315.373 0.202 10 30 DCEERN CCC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)N2CCCC2)C1 ZINC000103637477 670054642 /nfs/dbraw/zinc/05/46/42/670054642.db2.gz DWMLSZSQCYUGCQ-QWHCGFSZSA-N 0 0 305.378 0.966 10 30 DCEERN C#CCN1CCN(C(=O)c2csc(-c3ncccn3)n2)CC1 ZINC000101694412 671779516 /nfs/dbraw/zinc/77/95/16/671779516.db2.gz CABYVOBSVAVXSG-UHFFFAOYSA-N 0 0 313.386 0.991 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@@]2(O)CCSC2)c1 ZINC000718540124 685305132 /nfs/dbraw/zinc/30/51/32/685305132.db2.gz IRSUTQWHQXTQJE-LBPRGKRZSA-N 0 0 316.379 0.844 10 30 DCEERN N#Cc1cc(Br)cnc1NCCS(N)(=O)=O ZINC000309171362 1158191006 /nfs/dbraw/zinc/19/10/06/1158191006.db2.gz AKUOMQCEVDZVAE-UHFFFAOYSA-N 0 0 305.157 0.416 10 30 DCEERN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(C#CCO)c1 ZINC000050604835 770253983 /nfs/dbraw/zinc/25/39/83/770253983.db2.gz IWUDNBMWPPGFLT-ZDUSSCGKSA-N 0 0 307.371 0.195 10 30 DCEERN C=CCC[C@@H](CO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000321086360 775511235 /nfs/dbraw/zinc/51/12/35/775511235.db2.gz JCKLGKNEJWWQOS-QWRGUYRKSA-N 0 0 307.437 0.350 10 30 DCEERN Cn1cc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1C#N ZINC000588579807 948740865 /nfs/dbraw/zinc/74/08/65/948740865.db2.gz UUBOBCKCUHVGDW-UHFFFAOYSA-N 0 0 315.398 0.871 10 30 DCEERN N#Cc1ccc(S(=O)(=O)CCN2CCNC(=O)CC2)cc1 ZINC000081513164 192276333 /nfs/dbraw/zinc/27/63/33/192276333.db2.gz ZTZGQWXPFGOBJH-UHFFFAOYSA-N 0 0 307.375 0.154 10 30 DCEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCOC2)n1 ZINC000179669871 199073414 /nfs/dbraw/zinc/07/34/14/199073414.db2.gz UXUMMPIZKAZMDK-LLVKDONJSA-N 0 0 319.365 0.743 10 30 DCEERN CCS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000164071301 237116006 /nfs/dbraw/zinc/11/60/06/237116006.db2.gz GFGJWHJBDYVFNQ-UHFFFAOYSA-N 0 0 321.402 0.974 10 30 DCEERN Cn1cc(CNC(=O)N2CCO[C@@H](C#N)C2)c(C(F)(F)F)n1 ZINC000160892425 237088962 /nfs/dbraw/zinc/08/89/62/237088962.db2.gz LCMYORJGGIMIHD-VIFPVBQESA-N 0 0 317.271 0.873 10 30 DCEERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCO[C@@H](C#N)C1 ZINC000179764069 237252228 /nfs/dbraw/zinc/25/22/28/237252228.db2.gz OBHBCKWHXNJEPQ-ZDUSSCGKSA-N 0 0 305.382 0.904 10 30 DCEERN Cc1ccc(N2C[C@H](C(=O)N3CC(O)(CC#N)C3)CC2=O)cc1 ZINC000186811333 237326026 /nfs/dbraw/zinc/32/60/26/237326026.db2.gz LKJQSADOMDRFFJ-CYBMUJFWSA-N 0 0 313.357 0.835 10 30 DCEERN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1CCO ZINC000187689801 237357030 /nfs/dbraw/zinc/35/70/30/237357030.db2.gz VTBGROKMMXHBIE-ZDUSSCGKSA-N 0 0 302.378 0.495 10 30 DCEERN Cc1cccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1C#N ZINC000188718605 200293357 /nfs/dbraw/zinc/29/33/57/200293357.db2.gz KLNQDIXECMWWIW-CYBMUJFWSA-N 0 0 323.418 0.554 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000373826683 239203228 /nfs/dbraw/zinc/20/32/28/239203228.db2.gz YMRDGTPBFBKDNU-LLVKDONJSA-N 0 0 322.415 0.981 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000408066419 239261380 /nfs/dbraw/zinc/26/13/80/239261380.db2.gz YCLFWMCJXUPGKT-UHFFFAOYSA-N 0 0 315.329 0.656 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCCN1CCOCC1 ZINC000425181499 240300912 /nfs/dbraw/zinc/30/09/12/240300912.db2.gz WUTQGJFZTDYNMI-KBPBESRZSA-N 0 0 318.439 0.219 10 30 DCEERN Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](CO)C2CC2)c1 ZINC000453757021 240761637 /nfs/dbraw/zinc/76/16/37/240761637.db2.gz HIRGMAUAJSWEHH-CYBMUJFWSA-N 0 0 301.346 0.940 10 30 DCEERN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2cnc(C#N)cn2)C1 ZINC000274626836 211772737 /nfs/dbraw/zinc/77/27/37/211772737.db2.gz WPIYHFNTPMSFKX-VXGBXAGGSA-N 0 0 303.366 0.716 10 30 DCEERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000042747310 183304933 /nfs/dbraw/zinc/30/49/33/183304933.db2.gz WUSRLFVFCOKRRA-PWSUYJOCSA-N 0 0 307.375 0.833 10 30 DCEERN N#Cc1cnc(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000106463482 194217524 /nfs/dbraw/zinc/21/75/24/194217524.db2.gz RSIRBMLMWUUMRS-GXTWGEPZSA-N 0 0 315.289 0.763 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000273478119 210805906 /nfs/dbraw/zinc/80/59/06/210805906.db2.gz ZDINIQAATNOXHB-ZDUSSCGKSA-N 0 0 319.361 0.428 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000273432588 210769687 /nfs/dbraw/zinc/76/96/87/210769687.db2.gz UUINGIORUVDLOQ-HNNXBMFYSA-N 0 0 317.389 0.808 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)cn1 ZINC000349974386 254306757 /nfs/dbraw/zinc/30/67/57/254306757.db2.gz MPCTWCQLPGGJSH-SECBINFHSA-N 0 0 309.269 0.545 10 30 DCEERN N#CC1(C(=O)N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)CC1 ZINC000503717644 257209739 /nfs/dbraw/zinc/20/97/39/257209739.db2.gz TVNQOMSCPGCJRR-ZIAGYGMSSA-N 0 0 310.357 0.802 10 30 DCEERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1C#N ZINC000277024960 130572660 /nfs/dbraw/zinc/57/26/60/130572660.db2.gz NJISHBHKGBMQSW-LLVKDONJSA-N 0 0 308.363 0.195 10 30 DCEERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnc(C#N)cn2)C1 ZINC000284435969 131080766 /nfs/dbraw/zinc/08/07/66/131080766.db2.gz FDZFRJXXMFCMDO-STQMWFEESA-N 0 0 301.350 0.564 10 30 DCEERN CCn1ccnc(N2CCN(c3ncccc3C#N)CC2)c1=O ZINC000090999411 395719987 /nfs/dbraw/zinc/71/99/87/395719987.db2.gz LSFVGMFTSXDEOF-UHFFFAOYSA-N 0 0 310.361 0.856 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nn3cc(C)nc3s2)CC1 ZINC000045724972 395765523 /nfs/dbraw/zinc/76/55/23/395765523.db2.gz HPCKTXXSPSCYAT-UHFFFAOYSA-N 0 0 320.422 0.523 10 30 DCEERN N#C[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)C1CC1 ZINC000108834496 395793434 /nfs/dbraw/zinc/79/34/34/395793434.db2.gz MRRQIECQBNMPKO-MRVPVSSYSA-N 0 0 321.138 0.919 10 30 DCEERN CC[C@H]1CN(S(=O)(=O)CCCCC#N)CCN1C[C@@H](C)O ZINC000122717381 395888840 /nfs/dbraw/zinc/88/88/40/395888840.db2.gz ZUKLYVGVBVFJBF-KGLIPLIRSA-N 0 0 317.455 0.787 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1cccc(OCC(=O)OC)c1 ZINC000273424550 395920456 /nfs/dbraw/zinc/92/04/56/395920456.db2.gz SMNWUDOYFUVYEA-CYBMUJFWSA-N 0 0 322.361 0.975 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000273434168 395921524 /nfs/dbraw/zinc/92/15/24/395921524.db2.gz PTJXMHWTCWSDLX-SNVBAGLBSA-N 0 0 308.334 0.696 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000273457644 395922300 /nfs/dbraw/zinc/92/23/00/395922300.db2.gz VCVPUBVZCGLBIZ-JTQLQIEISA-N 0 0 308.334 0.696 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000273450723 395922498 /nfs/dbraw/zinc/92/24/98/395922498.db2.gz FZOYORUXFAPQNZ-SECBINFHSA-N 0 0 301.339 0.896 10 30 DCEERN COCCN(CCC#N)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060974 395870440 /nfs/dbraw/zinc/87/04/40/395870440.db2.gz MZLNOZWWFNIIEY-UHFFFAOYSA-N 0 0 306.775 0.624 10 30 DCEERN CCN1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230346617 395881060 /nfs/dbraw/zinc/88/10/60/395881060.db2.gz SEBRIVCLKNSSBH-SNVBAGLBSA-N 0 0 315.420 0.619 10 30 DCEERN CC[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CCN1C[C@H](C)O ZINC000246736686 395956428 /nfs/dbraw/zinc/95/64/28/395956428.db2.gz FXCLUMFNEGDYJG-GXTWGEPZSA-N 0 0 302.378 0.870 10 30 DCEERN COc1cc(C=NNC(=N)c2nonc2N)cc(OC)c1OC ZINC000254824182 396032423 /nfs/dbraw/zinc/03/24/23/396032423.db2.gz GWRVJHITAPZRIE-UHFFFAOYSA-N 0 0 320.309 0.417 10 30 DCEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1O ZINC000255992511 396033163 /nfs/dbraw/zinc/03/31/63/396033163.db2.gz OMBCPFYQIULSGV-YUDUXTHKSA-N 0 0 308.330 0.750 10 30 DCEERN Cc1noc([C@H](C)N2CCN(C(=O)NC[C@@H](C)C#N)CC2)n1 ZINC000182762943 396254267 /nfs/dbraw/zinc/25/42/67/396254267.db2.gz ZIFYVNHFERQFDV-QWRGUYRKSA-N 0 0 306.370 0.926 10 30 DCEERN CS(=O)(=O)NCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179761587 396229284 /nfs/dbraw/zinc/22/92/84/396229284.db2.gz CDTXVEJJXMVOMA-UHFFFAOYSA-N 0 0 307.375 0.521 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)n1nnnc1C ZINC000185699518 396333517 /nfs/dbraw/zinc/33/35/17/396333517.db2.gz BASOHMBHWQEUFJ-GJZGRUSLSA-N 0 0 315.377 0.819 10 30 DCEERN N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186036397 396339958 /nfs/dbraw/zinc/33/99/58/396339958.db2.gz IHPZUUPSJMGMDO-INIZCTEOSA-N 0 0 302.330 0.955 10 30 DCEERN Cn1nccc1[C@H]1[C@H](Nc2cnc(C#N)cn2)CCC(=O)N1C ZINC000284855005 396347166 /nfs/dbraw/zinc/34/71/66/396347166.db2.gz LVCWXNMGBPKRDY-IAQYHMDHSA-N 0 0 311.349 0.856 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186179962 396343878 /nfs/dbraw/zinc/34/38/78/396343878.db2.gz XIEMVNNEHBQFTF-UHFFFAOYSA-N 0 0 319.386 0.847 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000191730007 396423992 /nfs/dbraw/zinc/42/39/92/396423992.db2.gz RABUUWFMTCLVRS-YRGRVCCFSA-N 0 0 304.346 0.934 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000580874810 396506523 /nfs/dbraw/zinc/50/65/23/396506523.db2.gz OZDYEMSTRKDLRO-XQQFMLRXSA-N 0 0 316.423 0.508 10 30 DCEERN C=CCOCCCNS(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000594851019 396528323 /nfs/dbraw/zinc/52/83/23/396528323.db2.gz VOIPZWCBZUSXPC-UHFFFAOYSA-N 0 0 314.363 0.739 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000581540426 396563135 /nfs/dbraw/zinc/56/31/35/396563135.db2.gz DGCIDVWZUOODGV-AWEZNQCLSA-N 0 0 324.425 0.042 10 30 DCEERN N#Cc1cccc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000374269938 396652856 /nfs/dbraw/zinc/65/28/56/396652856.db2.gz CLBAGYYOIIKUGR-INIZCTEOSA-N 0 0 314.389 0.827 10 30 DCEERN C[C@]1(CO)CCCN1C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862388 396670001 /nfs/dbraw/zinc/67/00/01/396670001.db2.gz USGZCAIIMMEADT-MRXNPFEDSA-N 0 0 319.336 0.687 10 30 DCEERN C=C(C)[C@H](CC(=O)NC[C@@]1(OCCO)CCOC1)OCC ZINC000617709229 396782487 /nfs/dbraw/zinc/78/24/87/396782487.db2.gz SOBBSMDHHDYLNW-ZFWWWQNUSA-N 0 0 301.383 0.642 10 30 DCEERN C=CCC(CC=C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629574069 396795101 /nfs/dbraw/zinc/79/51/01/396795101.db2.gz HSOWWPCXACEEJX-ZDUSSCGKSA-N 0 0 316.423 0.531 10 30 DCEERN Cn1ncc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1C#N ZINC000563943748 396795336 /nfs/dbraw/zinc/79/53/36/396795336.db2.gz AJTWNGGDTMQOPL-RISCZKNCSA-N 0 0 318.377 0.589 10 30 DCEERN C=CCn1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)nn1 ZINC000617523299 396745773 /nfs/dbraw/zinc/74/57/73/396745773.db2.gz STLXOLKCOZEOMO-YRGRVCCFSA-N 0 0 308.382 0.760 10 30 DCEERN C=CCn1c(COCCOC)nnc1N1CCC2(COC2)C1 ZINC000634339120 396843679 /nfs/dbraw/zinc/84/36/79/396843679.db2.gz YFQQKHDHOSVEOT-UHFFFAOYSA-N 0 0 308.382 0.854 10 30 DCEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCO2 ZINC000329487201 396845795 /nfs/dbraw/zinc/84/57/95/396845795.db2.gz RGZNKRCKXXGPAN-MWLCHTKSSA-N 0 0 313.379 0.936 10 30 DCEERN C=C[C@H](O)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000634448141 396852212 /nfs/dbraw/zinc/85/22/12/396852212.db2.gz OLAFGNTZQPVTPE-UTUOFQBUSA-N 0 0 302.396 0.043 10 30 DCEERN CC#CCCCC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000629890641 396864841 /nfs/dbraw/zinc/86/48/41/396864841.db2.gz MCMVNUOFQKLNKX-CYBMUJFWSA-N 0 0 300.424 0.968 10 30 DCEERN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000611527227 396880316 /nfs/dbraw/zinc/88/03/16/396880316.db2.gz JUETVWPVQBWXFB-LKFCYVNXSA-N 0 0 319.336 0.589 10 30 DCEERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000611527229 396880351 /nfs/dbraw/zinc/88/03/51/396880351.db2.gz JUETVWPVQBWXFB-XPTSAGLGSA-N 0 0 319.336 0.589 10 30 DCEERN COc1cc(C#N)ccc1OCC(=O)NCc1cn(C)nn1 ZINC000611973918 396967175 /nfs/dbraw/zinc/96/71/75/396967175.db2.gz WZCMIYZXTXRLPA-UHFFFAOYSA-N 0 0 301.306 0.391 10 30 DCEERN COC[C@@]1(C(N)=O)CCCN1CCOc1ccccc1C#N ZINC000591646402 396963289 /nfs/dbraw/zinc/96/32/89/396963289.db2.gz DFYRLZUPWVLBOD-MRXNPFEDSA-N 0 0 303.362 0.903 10 30 DCEERN C=CCOCCCNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000618520459 396987377 /nfs/dbraw/zinc/98/73/77/396987377.db2.gz FBZLVXRIQJNIFR-UHFFFAOYSA-N 0 0 315.395 0.588 10 30 DCEERN C=CCOCCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000618515432 396987533 /nfs/dbraw/zinc/98/75/33/396987533.db2.gz VWQKDLSJMPQBDR-UHFFFAOYSA-N 0 0 303.318 0.539 10 30 DCEERN C=CCOCCCNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000618525525 396988956 /nfs/dbraw/zinc/98/89/56/396988956.db2.gz DJXUWZJIPHCECQ-UHFFFAOYSA-N 0 0 306.362 0.760 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000612253804 397016143 /nfs/dbraw/zinc/01/61/43/397016143.db2.gz BHFDQYIPMVRWOI-UHFFFAOYSA-N 0 0 312.347 0.792 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000597567536 397016725 /nfs/dbraw/zinc/01/67/25/397016725.db2.gz QKTPFYNOULXYPW-HGFQGUBDSA-N 0 0 300.424 0.684 10 30 DCEERN C=CCOC[C@H](NC(=O)CC1CCN(OC)CC1)C(=O)OC ZINC000597607564 397030234 /nfs/dbraw/zinc/03/02/34/397030234.db2.gz XAAWQSOCFVCJPY-ZDUSSCGKSA-N 0 0 314.382 0.510 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(c2cc(C)n(CC(=O)NC)n2)C1=O ZINC000630516398 397035413 /nfs/dbraw/zinc/03/54/13/397035413.db2.gz MOMDIGDWOCMTHJ-SNVBAGLBSA-N 0 0 305.338 0.329 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000611998840 396977391 /nfs/dbraw/zinc/97/73/91/396977391.db2.gz PNIIBTXZNHNHTO-CRWXNKLISA-N 0 0 308.378 0.189 10 30 DCEERN C=CCN1CCC(NS(=O)(=O)CC2(C(=O)OC)CC2)CC1 ZINC000601338107 397065658 /nfs/dbraw/zinc/06/56/58/397065658.db2.gz NVFPKKRWHMPDNG-UHFFFAOYSA-N 0 0 316.423 0.509 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000612614482 397104875 /nfs/dbraw/zinc/10/48/75/397104875.db2.gz YPZWSSCHASBLOD-CQSZACIVSA-N 0 0 310.394 0.865 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000612432611 397054099 /nfs/dbraw/zinc/05/40/99/397054099.db2.gz MXZONRGFKDNDJE-LBPRGKRZSA-N 0 0 320.349 0.599 10 30 DCEERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccc(C#N)s1 ZINC000601487991 397147902 /nfs/dbraw/zinc/14/79/02/397147902.db2.gz DCUDNSGCEVKISQ-JTQLQIEISA-N 0 0 315.420 0.571 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)OC ZINC000601502517 397154548 /nfs/dbraw/zinc/15/45/48/397154548.db2.gz WMKKXVWARUNKHI-LBPRGKRZSA-N 0 0 320.411 0.439 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OC ZINC000601501797 397154748 /nfs/dbraw/zinc/15/47/48/397154748.db2.gz GWDCTEUQROZBTA-NXEZZACHSA-N 0 0 307.368 0.223 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)OC ZINC000601502413 397155141 /nfs/dbraw/zinc/15/51/41/397155141.db2.gz VDZPHUIVXYYZRT-UTUOFQBUSA-N 0 0 305.396 0.981 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)OC ZINC000601502945 397155522 /nfs/dbraw/zinc/15/55/22/397155522.db2.gz ZLIXGEWOKYEIHJ-NWDGAFQWSA-N 0 0 305.396 0.840 10 30 DCEERN CCN1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)C1=O ZINC000619797693 397193412 /nfs/dbraw/zinc/19/34/12/397193412.db2.gz JXJQGRSUBNIBGW-CYBMUJFWSA-N 0 0 307.375 0.652 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000601636308 397201105 /nfs/dbraw/zinc/20/11/05/397201105.db2.gz VBYODQOHMACPIJ-ZDEQEGDKSA-N 0 0 323.393 0.945 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](CO)C2)c(F)c1 ZINC000619878805 397202011 /nfs/dbraw/zinc/20/20/11/397202011.db2.gz DTVWQKIEZASEKH-GFCCVEGCSA-N 0 0 319.336 0.544 10 30 DCEERN C=CCn1cc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)nn1 ZINC000620095291 397234784 /nfs/dbraw/zinc/23/47/84/397234784.db2.gz CYLIGJZPPBUIMI-GFCCVEGCSA-N 0 0 318.381 0.484 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cnc2sccn2c1=O)C(=O)OC ZINC000601779601 397243376 /nfs/dbraw/zinc/24/33/76/397243376.db2.gz UTNHGKWQOCBNKN-JTQLQIEISA-N 0 0 321.358 0.994 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)OC ZINC000601783159 397244007 /nfs/dbraw/zinc/24/40/07/397244007.db2.gz UNIWXBUDNINDRA-SNVBAGLBSA-N 0 0 303.322 0.601 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cn(C[C@@H]2CCOC2)nn1)C(=O)OC ZINC000601784754 397244220 /nfs/dbraw/zinc/24/42/20/397244220.db2.gz MNZPSBPTIQFAQH-RYUDHWBXSA-N 0 0 322.365 0.552 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC000614372528 397428062 /nfs/dbraw/zinc/42/80/62/397428062.db2.gz JZMBJLQRTTUBPW-STQMWFEESA-N 0 0 321.381 0.276 10 30 DCEERN C=CCCn1cc(CS(=O)(=O)[C@H](C)CC(=O)OC)nn1 ZINC000593941301 397485077 /nfs/dbraw/zinc/48/50/77/397485077.db2.gz JUFGUTFACSJBLI-SNVBAGLBSA-N 0 0 301.368 0.721 10 30 DCEERN C=CCCn1cc(CN[C@H](C(=O)OC)c2ccnn2C)nn1 ZINC000594016450 397493325 /nfs/dbraw/zinc/49/33/25/397493325.db2.gz XLURQDPMXHMYOY-ZDUSSCGKSA-N 0 0 304.354 0.592 10 30 DCEERN C=CCNC(=O)CN[C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602941905 397530804 /nfs/dbraw/zinc/53/08/04/397530804.db2.gz CYOOUELIRQCBOM-AWEZNQCLSA-N 0 0 306.362 0.671 10 30 DCEERN C=CCOC[C@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)OC ZINC000599874039 397533853 /nfs/dbraw/zinc/53/38/53/397533853.db2.gz NWVRXUIVTJWJDD-JTQLQIEISA-N 0 0 317.292 0.681 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000579731081 397591313 /nfs/dbraw/zinc/59/13/13/397591313.db2.gz GLBCMFCEHFZJAZ-RHSMWYFYSA-N 0 0 302.374 0.888 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCOC[C@@H]1C)C(=O)OC ZINC000603395019 397605799 /nfs/dbraw/zinc/60/57/99/397605799.db2.gz GGPUDUCWTXMLAA-SDDRHHMPSA-N 0 0 305.396 0.839 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000123655432 158233040 /nfs/dbraw/zinc/23/30/40/158233040.db2.gz QRFZNYRACCUGBK-AWEZNQCLSA-N 0 0 321.402 0.700 10 30 DCEERN CCS(=O)(=O)CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130545239 158296584 /nfs/dbraw/zinc/29/65/84/158296584.db2.gz PQGYRELKXGMFFC-UHFFFAOYSA-N 0 0 308.359 0.583 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000171287845 158382260 /nfs/dbraw/zinc/38/22/60/158382260.db2.gz BOPUZLWOIZLGAB-TZMCWYRMSA-N 0 0 303.362 0.772 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000173998809 158413608 /nfs/dbraw/zinc/41/36/08/158413608.db2.gz LVMARWSVVRJVJS-ZDUSSCGKSA-N 0 0 322.390 0.048 10 30 DCEERN Cc1nc(CN2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC000181318586 158483985 /nfs/dbraw/zinc/48/39/85/158483985.db2.gz FAOPAHSOENXQES-UHFFFAOYSA-N 0 0 314.349 0.926 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000181453362 158486503 /nfs/dbraw/zinc/48/65/03/158486503.db2.gz ZOFQWJYPVLUIRA-GFCCVEGCSA-N 0 0 305.334 0.549 10 30 DCEERN COc1cc(C#N)ccc1S(=O)(=O)NCCc1nc(C)no1 ZINC000185549106 158521080 /nfs/dbraw/zinc/52/10/80/158521080.db2.gz AKNNZTRDXSCDAE-UHFFFAOYSA-N 0 0 322.346 0.779 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(CO)CO ZINC000127495427 286978119 /nfs/dbraw/zinc/97/81/19/286978119.db2.gz IXKNRFMAMQXWJH-LBPRGKRZSA-N 0 0 306.362 0.775 10 30 DCEERN C[C@@H](CCNS(=O)(=O)c1ccccc1C#N)[S@](C)=O ZINC000127126594 286975886 /nfs/dbraw/zinc/97/58/86/286975886.db2.gz AGXHWMIYTJHTPA-XTZNXHDOSA-N 0 0 300.405 0.994 10 30 DCEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CCO)[C@@H](C)C1 ZINC000249572880 287114364 /nfs/dbraw/zinc/11/43/64/287114364.db2.gz OSUULDMHWODPLQ-XJKSGUPXSA-N 0 0 317.389 0.771 10 30 DCEERN CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329365809 287249516 /nfs/dbraw/zinc/24/95/16/287249516.db2.gz GPYLWMQNURKQLB-FVCCEPFGSA-N 0 0 309.370 0.631 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NC)nn1 ZINC000622890531 412269081 /nfs/dbraw/zinc/26/90/81/412269081.db2.gz KFQNMZRYRGKENA-LLVKDONJSA-N 0 0 305.338 0.246 10 30 DCEERN C=C(C)CS(=O)(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000352639085 415257319 /nfs/dbraw/zinc/25/73/19/415257319.db2.gz ZHDIDGCXXGHKCX-NSHDSACASA-N 0 0 310.441 0.296 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000285152840 415606006 /nfs/dbraw/zinc/60/60/06/415606006.db2.gz SPJXBKLVZZZQLM-LLVKDONJSA-N 0 0 300.384 0.572 10 30 DCEERN N#C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000106234556 415639463 /nfs/dbraw/zinc/63/94/63/415639463.db2.gz MMYQVBTVHAZNPU-ZETCQYMHSA-N 0 0 303.321 0.569 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000101552116 415594894 /nfs/dbraw/zinc/59/48/94/415594894.db2.gz QEKXDZIASIFYNV-QWHCGFSZSA-N 0 0 324.425 0.623 10 30 DCEERN C=CCn1c(C)cc(C(=O)Cn2nc(C(N)=O)ccc2=O)c1C ZINC000102146649 415595006 /nfs/dbraw/zinc/59/50/06/415595006.db2.gz UGDDLYQLVBWIGU-UHFFFAOYSA-N 0 0 314.345 0.829 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)CC ZINC000287458035 415667148 /nfs/dbraw/zinc/66/71/48/415667148.db2.gz RXLHGLNUJDELKQ-CQSZACIVSA-N 0 0 308.403 0.677 10 30 DCEERN CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000336842561 415831681 /nfs/dbraw/zinc/83/16/81/415831681.db2.gz UXZFFOMGXVIESO-JOYOIKCWSA-N 0 0 315.420 0.652 10 30 DCEERN COc1cc(C#N)ccc1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000120992615 415788057 /nfs/dbraw/zinc/78/80/57/415788057.db2.gz RVALPLMNGWWGEA-CYBMUJFWSA-N 0 0 309.391 0.690 10 30 DCEERN C=CCNC(=O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)nc1 ZINC000354315101 415788651 /nfs/dbraw/zinc/78/86/51/415788651.db2.gz DWPJZNCITOVABC-GFCCVEGCSA-N 0 0 323.418 0.868 10 30 DCEERN N#CCCN(CCC#N)C(=O)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121776355 415816862 /nfs/dbraw/zinc/81/68/62/415816862.db2.gz NRYQVZHWXQCVBU-CYBMUJFWSA-N 0 0 315.381 0.988 10 30 DCEERN C#Cc1ccc(CNC(=O)CNS(=O)(=O)CCCOC)cc1 ZINC000295374357 415888843 /nfs/dbraw/zinc/88/88/43/415888843.db2.gz GOMSMYYFNSBRGH-UHFFFAOYSA-N 0 0 324.402 0.240 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000337045290 415897830 /nfs/dbraw/zinc/89/78/30/415897830.db2.gz FFWUWMWTEBPDMD-GFCCVEGCSA-N 0 0 302.334 0.238 10 30 DCEERN C=CC[C@H](CO)NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000337083822 415907147 /nfs/dbraw/zinc/90/71/47/415907147.db2.gz YJXOKGAGTRTQOJ-SNVBAGLBSA-N 0 0 309.391 0.866 10 30 DCEERN C=CCN1CC[C@@H](N(C)Cc2csc(CC(=O)NC)n2)C1=O ZINC000337204410 415927056 /nfs/dbraw/zinc/92/70/56/415927056.db2.gz HUBSYJXKNBZGCY-GFCCVEGCSA-N 0 0 322.434 0.650 10 30 DCEERN C=CCOCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000344749911 415981825 /nfs/dbraw/zinc/98/18/25/415981825.db2.gz UHEFZGAIWCFUQS-CQSZACIVSA-N 0 0 310.394 0.819 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000337236870 415933044 /nfs/dbraw/zinc/93/30/44/415933044.db2.gz BPUGQVDBRIALRN-ZETCQYMHSA-N 0 0 320.271 0.431 10 30 DCEERN C#Cc1ccc(CNC(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000296766187 415936301 /nfs/dbraw/zinc/93/63/01/415936301.db2.gz WRWWJAKISNPGLI-UHFFFAOYSA-N 0 0 314.345 0.409 10 30 DCEERN CCS[C@H]1CC[C@@]1(O)CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301502003 416084771 /nfs/dbraw/zinc/08/47/71/416084771.db2.gz XOQVOEQSXRXIRJ-IINYFYTJSA-N 0 0 324.406 0.014 10 30 DCEERN CSC[C@@](C)(O)CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000312495967 416106197 /nfs/dbraw/zinc/10/61/97/416106197.db2.gz DCANLBDNRWHBRL-LBPRGKRZSA-N 0 0 315.420 0.654 10 30 DCEERN C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)N1CCOCC1 ZINC000329229398 416156307 /nfs/dbraw/zinc/15/63/07/416156307.db2.gz COVBKXFUXNPQIU-RWMBFGLXSA-N 0 0 313.398 0.299 10 30 DCEERN CCC(=O)N1CSC[C@H]1C(=O)NCCN1CCOCC1 ZINC000328866118 416136365 /nfs/dbraw/zinc/13/63/65/416136365.db2.gz GNPACYVLWKJERE-NSHDSACASA-N 0 0 301.412 0.587 10 30 DCEERN COCc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)ncn1 ZINC000328941928 416141355 /nfs/dbraw/zinc/14/13/55/416141355.db2.gz FLHRSJHXDVJOFA-CHWSQXEVSA-N 0 0 321.381 0.573 10 30 DCEERN CC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)cc2C)CCO1 ZINC000178719329 416170957 /nfs/dbraw/zinc/17/09/57/416170957.db2.gz OOQNTAZEWZOYQA-AWEZNQCLSA-N 0 0 301.346 0.844 10 30 DCEERN CN(C[C@@H]1CCCOC1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329500715 416173289 /nfs/dbraw/zinc/17/32/89/416173289.db2.gz VVOSXOVGAKECPT-RWMBFGLXSA-N 0 0 309.370 0.490 10 30 DCEERN C[C@@H]1C[C@H](O)CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329598532 416178217 /nfs/dbraw/zinc/17/82/17/416178217.db2.gz DCYUUQXONOZYEI-OWTLIXCDSA-N 0 0 308.382 0.867 10 30 DCEERN CN1CCO[C@@H]2CN(C(=O)NC[C@H]3CCc4nccn4C3)C[C@@H]21 ZINC000329638339 416181534 /nfs/dbraw/zinc/18/15/34/416181534.db2.gz YYSPSLOZBMJFMH-HZSPNIEDSA-N 0 0 319.409 0.374 10 30 DCEERN CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(C)C ZINC000179129100 416182793 /nfs/dbraw/zinc/18/27/93/416182793.db2.gz FTSPVGPUVNYWKI-AWEZNQCLSA-N 0 0 316.361 0.175 10 30 DCEERN CN(C)c1ncc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cn1 ZINC000179096207 416183466 /nfs/dbraw/zinc/18/34/66/416183466.db2.gz VJGAJVMIRMMZHQ-UHFFFAOYSA-N 0 0 324.344 0.669 10 30 DCEERN CN1CCC[C@@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000329705080 416185717 /nfs/dbraw/zinc/18/57/17/416185717.db2.gz JXTMFWCQCHTIAO-GFCCVEGCSA-N 0 0 301.456 0.880 10 30 DCEERN C=CCOC[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)C(=O)OC ZINC000341068635 416201959 /nfs/dbraw/zinc/20/19/59/416201959.db2.gz VESDHCFYBVJEMG-NSHDSACASA-N 0 0 318.351 0.147 10 30 DCEERN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)o1 ZINC000330638615 416219680 /nfs/dbraw/zinc/21/96/80/416219680.db2.gz BEFFYUMFOXYLED-LLVKDONJSA-N 0 0 319.404 0.952 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000329295890 416161960 /nfs/dbraw/zinc/16/19/60/416161960.db2.gz SQOOVEYKFUSYSA-JHJVBQTASA-N 0 0 301.408 0.861 10 30 DCEERN C[C@H](Cn1cncn1)[NH+]=C([O-])N1CC[C@H](c2cnn(C)c2)C1 ZINC000329328689 416164036 /nfs/dbraw/zinc/16/40/36/416164036.db2.gz KOTSXAXJTPMSNI-NEPJUHHUSA-N 0 0 303.370 0.804 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000349788601 416260524 /nfs/dbraw/zinc/26/05/24/416260524.db2.gz RVMSULSZLMIAND-UHFFFAOYSA-N 0 0 319.405 0.821 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OC(C)C)nn1 ZINC000342018403 416267593 /nfs/dbraw/zinc/26/75/93/416267593.db2.gz OMFGCNMUYFZATN-UHFFFAOYSA-N 0 0 304.350 1.403 10 30 DCEERN C=CCNC(=O)[C@@H](C)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000331141384 416272782 /nfs/dbraw/zinc/27/27/82/416272782.db2.gz KNKHSVNOXJXRJB-GFCCVEGCSA-N 0 0 302.440 0.966 10 30 DCEERN C=CCNC(=O)CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194350663 416322683 /nfs/dbraw/zinc/32/26/83/416322683.db2.gz UJVNRTCEALIRSJ-NSHDSACASA-N 0 0 324.406 0.837 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190798682 416283135 /nfs/dbraw/zinc/28/31/35/416283135.db2.gz VNEMCMMOTANHEK-OAHLLOKOSA-N 0 0 323.437 0.756 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000342180264 416289814 /nfs/dbraw/zinc/28/98/14/416289814.db2.gz MPBKULWADQZQCL-LLVKDONJSA-N 0 0 317.345 0.403 10 30 DCEERN CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000360244749 416381888 /nfs/dbraw/zinc/38/18/88/416381888.db2.gz GDDKTNNIJFTNGH-QWRGUYRKSA-N 0 0 305.338 0.655 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000422395428 416429134 /nfs/dbraw/zinc/42/91/34/416429134.db2.gz JELXPZGKBIIZQJ-CQSZACIVSA-N 0 0 310.394 0.723 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CC(=O)N(CCC)C1 ZINC000422606279 416441695 /nfs/dbraw/zinc/44/16/95/416441695.db2.gz SAWBANOUIDORTA-CYBMUJFWSA-N 0 0 309.410 0.786 10 30 DCEERN C=CCC1(C(=O)Nc2ccc(C(=O)OC)nn2)CCOCC1 ZINC000591857278 416534335 /nfs/dbraw/zinc/53/43/35/416534335.db2.gz KDSYOSTXHRFUON-UHFFFAOYSA-N 0 0 305.334 1.575 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435105614 416510093 /nfs/dbraw/zinc/51/00/93/416510093.db2.gz WRDFHCWHLIGJMY-LLVKDONJSA-N 0 0 321.377 1.498 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000489655934 416566467 /nfs/dbraw/zinc/56/64/67/416566467.db2.gz YQWFEAAPWPNQAX-LBPRGKRZSA-N 0 0 319.423 0.966 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)Nc1cc(CCOC)nn1C ZINC000490398118 416569843 /nfs/dbraw/zinc/56/98/43/416569843.db2.gz RXTMZAYYAJAOBG-UHFFFAOYSA-N 0 0 306.366 0.748 10 30 DCEERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H](C)C#N ZINC000539212419 416577801 /nfs/dbraw/zinc/57/78/01/416577801.db2.gz RBVGIEOKWZNPSE-JTQLQIEISA-N 0 0 302.334 0.884 10 30 DCEERN COCC(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441003318 416658320 /nfs/dbraw/zinc/65/83/20/416658320.db2.gz XGIWGKJGGBOCAU-UHFFFAOYSA-N 0 0 322.409 0.817 10 30 DCEERN C=CCC[C@@H](CO)Nc1nc2ccccc2c(NCCO)n1 ZINC000556258282 416714233 /nfs/dbraw/zinc/71/42/33/416714233.db2.gz GOVXVHALTVCPPT-LBPRGKRZSA-N 0 0 302.378 0.617 10 30 DCEERN C=CCn1cc(CNC(=O)Nc2ccc(OC(C)C)nn2)nn1 ZINC000425662834 416719212 /nfs/dbraw/zinc/71/92/12/416719212.db2.gz JUVLOAHAAFFDIN-UHFFFAOYSA-N 0 0 317.353 1.363 10 30 DCEERN CO[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000615296784 416808422 /nfs/dbraw/zinc/80/84/22/416808422.db2.gz LBJGFKKJUWNZBT-GFCCVEGCSA-N 0 0 300.311 0.691 10 30 DCEERN N#C[C@]1(F)CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000615592995 416868249 /nfs/dbraw/zinc/86/82/49/416868249.db2.gz WSNUMOIDLJIIOI-SWLSCSKDSA-N 0 0 324.356 0.413 10 30 DCEERN C[C@H](C#N)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000615435043 416833139 /nfs/dbraw/zinc/83/31/39/416833139.db2.gz NMXJULRGPJFJBM-LLVKDONJSA-N 0 0 322.390 0.142 10 30 DCEERN C=CCC(C)(C)CNC(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000624111789 416961878 /nfs/dbraw/zinc/96/18/78/416961878.db2.gz FQZOUHLTDZQSRR-GFCCVEGCSA-N 0 0 312.414 0.928 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000519163278 416895266 /nfs/dbraw/zinc/89/52/66/416895266.db2.gz WYKSXNIDNOYDNH-NEPJUHHUSA-N 0 0 320.349 0.189 10 30 DCEERN C=CCn1cc(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)nn1 ZINC000519637382 416923193 /nfs/dbraw/zinc/92/31/93/416923193.db2.gz DAZQNQMQUUMNGH-UHFFFAOYSA-N 0 0 314.349 0.833 10 30 DCEERN CN(C)C(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000519679129 416927023 /nfs/dbraw/zinc/92/70/23/416927023.db2.gz CCSSHQJEGWFYIN-UHFFFAOYSA-N 0 0 300.362 0.927 10 30 DCEERN Cc1cc(C#N)nc(NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC000376089705 417020816 /nfs/dbraw/zinc/02/08/16/417020816.db2.gz WSDVBBYMUSMYQC-OAHLLOKOSA-N 0 0 319.434 1.277 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)c2c[nH]c(=O)s2)C1=O ZINC000632302047 417012133 /nfs/dbraw/zinc/01/21/33/417012133.db2.gz VWRPXWPEZVQGRR-QMMMGPOBSA-N 0 0 317.392 0.256 10 30 DCEERN C=CCNC(=O)c1ccc(N2CCO[C@H](CC(N)=O)C2)nc1 ZINC000624699741 417086465 /nfs/dbraw/zinc/08/64/65/417086465.db2.gz RXBWKRJJHCQFRT-GFCCVEGCSA-N 0 0 304.350 0.078 10 30 DCEERN C=C[C@](C)(O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000616694680 417092762 /nfs/dbraw/zinc/09/27/62/417092762.db2.gz QKQKMIHXRKXSAB-HOTGVXAUSA-N 0 0 317.345 0.959 10 30 DCEERN C=C[C@](C)(O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000616694682 417093133 /nfs/dbraw/zinc/09/31/33/417093133.db2.gz QKQKMIHXRKXSAB-JKSUJKDBSA-N 0 0 317.345 0.959 10 30 DCEERN C=CCn1c(-c2cn(C)nn2)nnc1N(C)CC1(C)COC1 ZINC000624839946 417121379 /nfs/dbraw/zinc/12/13/79/417121379.db2.gz LRBNMNRRBOPGSF-UHFFFAOYSA-N 0 0 303.370 0.732 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000632543938 417153589 /nfs/dbraw/zinc/15/35/89/417153589.db2.gz RFRPIOHHKNBJPQ-LBPRGKRZSA-N 0 0 309.410 0.784 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2cscc2C#N)CC1 ZINC000432055305 417156169 /nfs/dbraw/zinc/15/61/69/417156169.db2.gz QCIQNLIHOHIKDB-UHFFFAOYSA-N 0 0 318.402 0.680 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000632594993 417186335 /nfs/dbraw/zinc/18/63/35/417186335.db2.gz UNLGIAYXESKFCU-MRXNPFEDSA-N 0 0 309.410 0.819 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617254644 417187856 /nfs/dbraw/zinc/18/78/56/417187856.db2.gz RCRCSZWAEPZTFC-KBPBESRZSA-N 0 0 305.382 0.598 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617254645 417188056 /nfs/dbraw/zinc/18/80/56/417188056.db2.gz RCRCSZWAEPZTFC-KGLIPLIRSA-N 0 0 305.382 0.598 10 30 DCEERN C=CC[C@H](Cc1ccccc1)NC(=O)CN1CC(=O)NC1=O ZINC000412838234 417222748 /nfs/dbraw/zinc/22/27/48/417222748.db2.gz JOHJJJFPQNADME-CYBMUJFWSA-N 0 0 301.346 0.842 10 30 DCEERN C=C[C@@](C)(O)C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000620731771 417271085 /nfs/dbraw/zinc/27/10/85/417271085.db2.gz UGJPNTLMSZHXRH-GFCCVEGCSA-N 0 0 316.404 0.217 10 30 DCEERN C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000414585561 417287724 /nfs/dbraw/zinc/28/77/24/417287724.db2.gz UWNAVCOJDHPGJF-ZIAGYGMSSA-N 0 0 312.410 0.799 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)SC[C@H]1CN(C)CCO1 ZINC000570161348 417320000 /nfs/dbraw/zinc/32/00/00/417320000.db2.gz JUYMFLZCCWAZFP-GHMZBOCLSA-N 0 0 301.412 0.451 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)SC[C@@H]1CN(C)CCO1 ZINC000570161350 417322583 /nfs/dbraw/zinc/32/25/83/417322583.db2.gz JUYMFLZCCWAZFP-QWRGUYRKSA-N 0 0 301.412 0.451 10 30 DCEERN CO[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1O ZINC000451937986 417418261 /nfs/dbraw/zinc/41/82/61/417418261.db2.gz HOHMFPIOGPWUSZ-CHWSQXEVSA-N 0 0 314.338 0.219 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627470645 417428083 /nfs/dbraw/zinc/42/80/83/417428083.db2.gz WNCMSPQLHLDOLT-ZDUSSCGKSA-N 0 0 322.361 0.833 10 30 DCEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000627733123 417493938 /nfs/dbraw/zinc/49/39/38/417493938.db2.gz LWSPDQSYOAFMAB-JTQLQIEISA-N 0 0 302.334 0.544 10 30 DCEERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)o2)CC12COC2 ZINC000452226888 417460429 /nfs/dbraw/zinc/46/04/29/417460429.db2.gz SNTJKYCNIZSXKV-NSHDSACASA-N 0 0 304.302 0.803 10 30 DCEERN C=C(C)[C@@H](CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)OCC ZINC000633874816 417502939 /nfs/dbraw/zinc/50/29/39/417502939.db2.gz IIDISZICDCCFIY-LYRGGWFBSA-N 0 0 308.378 0.869 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)nc2ncnn21 ZINC000622865202 417511317 /nfs/dbraw/zinc/51/13/17/417511317.db2.gz XDKKGADFPXXGRV-LLVKDONJSA-N 0 0 302.338 0.842 10 30 DCEERN C=C(C)COCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000454677690 417575360 /nfs/dbraw/zinc/57/53/60/417575360.db2.gz FRWDCAHFNRSWNO-QWHCGFSZSA-N 0 0 316.423 0.940 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(CC=C)C2=O)C1 ZINC000628486437 417625370 /nfs/dbraw/zinc/62/53/70/417625370.db2.gz IMYUPZOAKWXMMF-LLVKDONJSA-N 0 0 305.334 0.388 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000628489113 417626193 /nfs/dbraw/zinc/62/61/93/417626193.db2.gz PKSPFOWOPGFEQN-LLVKDONJSA-N 0 0 312.395 0.123 10 30 DCEERN C=C[C@](C)(O)CC(=O)N1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000457255396 417699956 /nfs/dbraw/zinc/69/99/56/417699956.db2.gz HYZUVRXSEJLFNU-WBMJQRKESA-N 0 0 320.393 0.718 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000582059102 417731834 /nfs/dbraw/zinc/73/18/34/417731834.db2.gz QCSWJYWHUWSDOE-RYUDHWBXSA-N 0 0 321.381 0.650 10 30 DCEERN Cn1cc(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2=O)cn1 ZINC000530936827 268129973 /nfs/dbraw/zinc/12/99/73/268129973.db2.gz XVFSSICQLQUISU-UHFFFAOYSA-N 0 0 323.356 0.710 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)s1 ZINC000435440194 268253918 /nfs/dbraw/zinc/25/39/18/268253918.db2.gz UMVBRMCUZSFZAT-ZETCQYMHSA-N 0 0 300.365 0.051 10 30 DCEERN C[C@H](O)C(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000535743060 287840651 /nfs/dbraw/zinc/84/06/51/287840651.db2.gz HZLOSLLPHIDTHI-LBPRGKRZSA-N 0 0 301.346 0.152 10 30 DCEERN Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1-n1cnnn1 ZINC000537431621 287865705 /nfs/dbraw/zinc/86/57/05/287865705.db2.gz 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/nfs/dbraw/zinc/06/64/97/527066497.db2.gz BJBGAHRQPGUASN-CYBMUJFWSA-N 0 0 301.346 0.452 10 30 DCEERN C#CCOCCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000373057981 527068181 /nfs/dbraw/zinc/06/81/81/527068181.db2.gz ODUWCEWPERDEIP-AWEZNQCLSA-N 0 0 304.394 0.853 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CNC(=O)c1ccccc1OCC ZINC000185382389 527087328 /nfs/dbraw/zinc/08/73/28/527087328.db2.gz LWYWQIYZIJIOPS-LBPRGKRZSA-N 0 0 306.362 0.868 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000346444390 527090847 /nfs/dbraw/zinc/09/08/47/527090847.db2.gz XBPREPPORXJNIZ-ZDUSSCGKSA-N 0 0 303.362 0.709 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186656189 527102325 /nfs/dbraw/zinc/10/23/25/527102325.db2.gz LSZRPPXBPALGCQ-NSHDSACASA-N 0 0 300.336 0.951 10 30 DCEERN CC(=O)[C@@](C)(O)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000331315546 527137950 /nfs/dbraw/zinc/13/79/50/527137950.db2.gz IXYOFBQCACHUCJ-AWEZNQCLSA-N 0 0 308.407 0.785 10 30 DCEERN C=CC[C@H](CO)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000185862019 527194408 /nfs/dbraw/zinc/19/44/08/527194408.db2.gz DEILINSIDGLZBQ-LLVKDONJSA-N 0 0 317.345 0.133 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000183136121 527198697 /nfs/dbraw/zinc/19/86/97/527198697.db2.gz XWTJTFKOZRGVOG-CHWSQXEVSA-N 0 0 305.382 0.682 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000370372835 527209739 /nfs/dbraw/zinc/20/97/39/527209739.db2.gz FACLVBAREHLTKG-CYBMUJFWSA-N 0 0 324.402 0.367 10 30 DCEERN C#C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000186109342 527223921 /nfs/dbraw/zinc/22/39/21/527223921.db2.gz DEHSOKUDLIFMOT-ZYHUDNBSSA-N 0 0 303.366 0.545 10 30 DCEERN C#C[C@H](NC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1)[C@@H]1CCCO1 ZINC000263430095 527390482 /nfs/dbraw/zinc/39/04/82/527390482.db2.gz YRHJRWGJYGYNQT-HOAMVYINSA-N 0 0 323.393 0.404 10 30 DCEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000359071163 527398662 /nfs/dbraw/zinc/39/86/62/527398662.db2.gz ZLXVNZWOBKJZHS-SNVBAGLBSA-N 0 0 310.317 0.768 10 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IHLOENOHHVXALT-LSDHHAIUSA-N 0 0 308.426 0.401 10 30 DCEERN Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCc3cncnc3C1)CC2 ZINC000329273994 546045861 /nfs/dbraw/zinc/04/58/61/546045861.db2.gz JEKQQRVBDXNSET-LBPRGKRZSA-N 0 0 313.365 0.664 10 30 DCEERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)C1CN(c2ccccc2C#N)C1 ZINC000888100955 661180228 /nfs/dbraw/zinc/18/02/28/661180228.db2.gz GUBLUEJGXAIOSQ-RISCZKNCSA-N 0 0 312.373 0.778 10 30 DCEERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOC[C@@H]1C#N ZINC000255915055 659026172 /nfs/dbraw/zinc/02/61/72/659026172.db2.gz YKLZSOJLHYKGGW-AAEUAGOBSA-N 0 0 303.366 0.439 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1Cl ZINC000168142244 664519872 /nfs/dbraw/zinc/51/98/72/664519872.db2.gz TTWKZHFRWRJNCZ-JTQLQIEISA-N 0 0 316.766 0.593 10 30 DCEERN N#Cc1ccc(N2CCN(CN3CCOC3=S)CC2)nc1 ZINC000060444998 664546459 /nfs/dbraw/zinc/54/64/59/664546459.db2.gz DCLQAPWOXRDAGM-UHFFFAOYSA-N 0 0 303.391 0.650 10 30 DCEERN COCCNC(=O)[C@@H](C#N)C(=O)Cn1ncc2ccccc21 ZINC000730686209 664800245 /nfs/dbraw/zinc/80/02/45/664800245.db2.gz LJOUFNZOCCSKJZ-LBPRGKRZSA-N 0 0 300.318 0.508 10 30 DCEERN CNC(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000732664731 664950563 /nfs/dbraw/zinc/95/05/63/664950563.db2.gz NTQDHZMQLFRLOI-CYBMUJFWSA-N 0 0 313.361 0.254 10 30 DCEERN N#CC1(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCC1 ZINC000183834827 666121523 /nfs/dbraw/zinc/12/15/23/666121523.db2.gz AFLGRUSICDCEHP-UHFFFAOYSA-N 0 0 313.313 0.927 10 30 DCEERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C ZINC000252736973 666143030 /nfs/dbraw/zinc/14/30/30/666143030.db2.gz AWGXOCKGJPIJPB-SKDRFNHKSA-N 0 0 309.347 0.383 10 30 DCEERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCC#N ZINC000072003908 666193636 /nfs/dbraw/zinc/19/36/36/666193636.db2.gz LAKHOXDXDAFBFI-JTQLQIEISA-N 0 0 320.374 0.486 10 30 DCEERN C=C(Br)CNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000184968942 666310288 /nfs/dbraw/zinc/31/02/88/666310288.db2.gz DXSPZYDPHXJUKZ-LLVKDONJSA-N 0 0 320.231 0.993 10 30 DCEERN 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311.426 0.638 10 30 DCEERN C[C@H](CN1CCCC1=O)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742395215 667790559 /nfs/dbraw/zinc/79/05/59/667790559.db2.gz KYHBLDBCWGGTHO-SNVBAGLBSA-N 0 0 322.390 0.628 10 30 DCEERN C[C@@H]1CN(CCNc2ccc(S(N)(=O)=O)cc2C#N)CCO1 ZINC000742398800 667790744 /nfs/dbraw/zinc/79/07/44/667790744.db2.gz AZZGUDHSZKDHQQ-LLVKDONJSA-N 0 0 324.406 0.338 10 30 DCEERN C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C#N)ccc1F ZINC000125293732 668263513 /nfs/dbraw/zinc/26/35/13/668263513.db2.gz GEJOEPFZWXBJMH-SECBINFHSA-N 0 0 311.338 0.932 10 30 DCEERN COC(=O)CCCNS(=O)(=O)c1cccc(F)c1C#N ZINC000716428055 670263778 /nfs/dbraw/zinc/26/37/78/670263778.db2.gz GHIDXTNIVIEUJG-UHFFFAOYSA-N 0 0 300.311 0.929 10 30 DCEERN C#CCOc1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1 ZINC000108607266 670799779 /nfs/dbraw/zinc/79/97/79/670799779.db2.gz MPPBZDUUCIZCSH-UHFFFAOYSA-N 0 0 312.329 0.687 10 30 DCEERN COc1nscc1S(=O)(=O)NC1CCN(CC#N)CC1 ZINC000714370187 941472328 /nfs/dbraw/zinc/47/23/28/941472328.db2.gz LXWUTRBEQIWFQU-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/31/14/95/183311495.db2.gz GHYAVUYWCMGMKW-UHFFFAOYSA-N 0 0 303.405 0.500 10 30 DCEERN C#CCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000045132687 183483506 /nfs/dbraw/zinc/48/35/06/183483506.db2.gz PXGIGQLBEIJZHS-LLVKDONJSA-N 0 0 302.330 0.806 10 30 DCEERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000285098367 131137653 /nfs/dbraw/zinc/13/76/53/131137653.db2.gz PXRKPGIBUHHNOW-GJZGRUSLSA-N 0 0 321.402 0.652 10 30 DCEERN C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(C#N)c1 ZINC000193857155 395780568 /nfs/dbraw/zinc/78/05/68/395780568.db2.gz RNPOAWTWUVUILF-CYBMUJFWSA-N 0 0 301.394 0.709 10 30 DCEERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000103958688 395776009 /nfs/dbraw/zinc/77/60/09/395776009.db2.gz REIWYPYSFJJLDO-CYBMUJFWSA-N 0 0 314.345 0.025 10 30 DCEERN CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C#N)C1CC1)C2=O ZINC000108828293 395793196 /nfs/dbraw/zinc/79/31/96/395793196.db2.gz WDCLFERFAVSHGX-YWFMTQBDSA-N 0 0 318.377 0.905 10 30 DCEERN CC[C@@H]1CN(S(=O)(=O)CCCCC#N)CCN1C[C@@H](C)O ZINC000122717164 395888656 /nfs/dbraw/zinc/88/86/56/395888656.db2.gz ZUKLYVGVBVFJBF-ZIAGYGMSSA-N 0 0 317.455 0.787 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000273364220 395915710 /nfs/dbraw/zinc/91/57/10/395915710.db2.gz AZBCZCALINTCTM-CQSZACIVSA-N 0 0 320.393 0.609 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000273416237 395920181 /nfs/dbraw/zinc/92/01/81/395920181.db2.gz JTPGESXOAIWVFU-JTQLQIEISA-N 0 0 317.338 0.828 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000273467997 395923080 /nfs/dbraw/zinc/92/30/80/395923080.db2.gz FEPQNPBOVUNXLX-WBMJQRKESA-N 0 0 317.345 0.408 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000273479251 395923949 /nfs/dbraw/zinc/92/39/49/395923949.db2.gz ZGLOALHFMLOMMQ-JTQLQIEISA-N 0 0 324.308 0.604 10 30 DCEERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000134426682 395931135 /nfs/dbraw/zinc/93/11/35/395931135.db2.gz SOAUACYMCDGKDP-JSGCOSHPSA-N 0 0 315.377 0.962 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000273535759 395928354 /nfs/dbraw/zinc/92/83/54/395928354.db2.gz RYAWQGSSIVGCLW-VIFPVBQESA-N 0 0 324.358 0.128 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2noc(CCCC)n2)CC1 ZINC000053605166 395886903 /nfs/dbraw/zinc/88/69/03/395886903.db2.gz NBJIRUXHEPUEES-UHFFFAOYSA-N 0 0 321.425 0.832 10 30 DCEERN C=CC[C@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273578013 395931750 /nfs/dbraw/zinc/93/17/50/395931750.db2.gz MCWDDDOEIQQOKO-GFCCVEGCSA-N 0 0 321.333 0.768 10 30 DCEERN COCCNC(=O)[C@H]1CC[C@H](C)N(c2cnc(C#N)cn2)C1 ZINC000274626833 395963188 /nfs/dbraw/zinc/96/31/88/395963188.db2.gz WPIYHFNTPMSFKX-RYUDHWBXSA-N 0 0 303.366 0.716 10 30 DCEERN Cn1cc(NC(=O)CCc2ccc(C#N)cc2)c(=O)n(C)c1=O ZINC000150734228 395971804 /nfs/dbraw/zinc/97/18/04/395971804.db2.gz XZTLEWHRYOUVCH-UHFFFAOYSA-N 0 0 312.329 0.527 10 30 DCEERN C[C@@H](CO)[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000151181101 395981363 /nfs/dbraw/zinc/98/13/63/395981363.db2.gz AYHSLGOGYIMLGR-RYUDHWBXSA-N 0 0 324.402 0.606 10 30 DCEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000068793211 396063876 /nfs/dbraw/zinc/06/38/76/396063876.db2.gz VVSVIUVTAXMQDE-ZDUSSCGKSA-N 0 0 312.329 0.671 10 30 DCEERN N#Cc1c[nH]c(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000175716015 396140224 /nfs/dbraw/zinc/14/02/24/396140224.db2.gz MYARJRQQUPLZCH-UHFFFAOYSA-N 0 0 322.332 0.286 10 30 DCEERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC000176047788 396148841 /nfs/dbraw/zinc/14/88/41/396148841.db2.gz OOODKULZGNOZQB-NSHDSACASA-N 0 0 300.322 0.781 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2)CC1 ZINC000078749489 396252921 /nfs/dbraw/zinc/25/29/21/396252921.db2.gz ZYIIGDHBCLNCRG-UHFFFAOYSA-N 0 0 316.405 0.816 10 30 DCEERN CCOc1ccnc(N2CCN(C(=O)NC[C@H](C)C#N)CC2)n1 ZINC000182812535 396254113 /nfs/dbraw/zinc/25/41/13/396254113.db2.gz LZTMKHNXCDPMJV-GFCCVEGCSA-N 0 0 318.381 0.867 10 30 DCEERN C[C@H](C#N)CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182795501 396254391 /nfs/dbraw/zinc/25/43/91/396254391.db2.gz JWSBYOMGCYPKNS-OLZOCXBDSA-N 0 0 308.382 0.426 10 30 DCEERN COc1ccnc(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)n1 ZINC000182827319 396255040 /nfs/dbraw/zinc/25/50/40/396255040.db2.gz VRJZBZQFIXUFRD-NSHDSACASA-N 0 0 304.354 0.476 10 30 DCEERN N#Cc1ccc(NC(=O)CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000185202698 396321930 /nfs/dbraw/zinc/32/19/30/396321930.db2.gz HNGLPPSIXJNPQN-MRXNPFEDSA-N 0 0 301.346 0.988 10 30 DCEERN COCCN1CCCN(C(=O)c2sccc2C#N)CC1=O ZINC000191252299 396417520 /nfs/dbraw/zinc/41/75/20/396417520.db2.gz FNMACSAIDMUXFQ-UHFFFAOYSA-N 0 0 307.375 0.941 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000515038087 396499292 /nfs/dbraw/zinc/49/92/92/396499292.db2.gz JADQATQVIHPHLD-XQHKEYJVSA-N 0 0 304.412 0.664 10 30 DCEERN C=CCN(CCOC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594781602 396513663 /nfs/dbraw/zinc/51/36/63/396513663.db2.gz VNWPMCCIXASIBE-UHFFFAOYSA-N 0 0 301.324 0.813 10 30 DCEERN C=CCCCCCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000594620665 396491390 /nfs/dbraw/zinc/49/13/90/396491390.db2.gz JNZOEAQQIKFIIK-UHFFFAOYSA-N 0 0 306.410 0.953 10 30 DCEERN Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000587988603 396673638 /nfs/dbraw/zinc/67/36/38/396673638.db2.gz SQKMANCGUUFWHE-ZWNOBZJWSA-N 0 0 311.349 0.996 10 30 DCEERN C=CCCn1cc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)nn1 ZINC000634136919 396791436 /nfs/dbraw/zinc/79/14/36/396791436.db2.gz ORMCNQXQVCTNNG-ZDUSSCGKSA-N 0 0 305.382 0.937 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000617720368 396792131 /nfs/dbraw/zinc/79/21/31/396792131.db2.gz BNJITMQTJGFEEW-YDHLFZDLSA-N 0 0 311.426 0.683 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC000624990689 396741954 /nfs/dbraw/zinc/74/19/54/396741954.db2.gz LKOMYENVIAZHQJ-LLVKDONJSA-N 0 0 315.381 0.817 10 30 DCEERN CCOC(=O)[C@H]1NC(=O)N(Cc2ccc(C#N)cc2F)C1=O ZINC000617675202 396768546 /nfs/dbraw/zinc/76/85/46/396768546.db2.gz SEVWOZSZVQAIQX-NSHDSACASA-N 0 0 305.265 0.681 10 30 DCEERN C=CC[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000617777374 396825100 /nfs/dbraw/zinc/82/51/00/396825100.db2.gz NJPDBYNGSDHZFK-CYBMUJFWSA-N 0 0 305.382 0.994 10 30 DCEERN CN1CCO[C@H](CN(CC(N)=O)C(=O)NCCn2cccc2)C1 ZINC000328644565 396828841 /nfs/dbraw/zinc/82/88/41/396828841.db2.gz RVPFUQSLFDGFCE-ZDUSSCGKSA-N 0 0 323.397 0.570 10 30 DCEERN C=CCN(C)C(=O)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000625384519 396855885 /nfs/dbraw/zinc/85/58/85/396855885.db2.gz ZQKHPHXJICXAJJ-MRXNPFEDSA-N 0 0 304.346 0.977 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CN(c2ccncn2)C1 ZINC000634454672 396856425 /nfs/dbraw/zinc/85/64/25/396856425.db2.gz DQXZKNFWXSELCG-ZDUSSCGKSA-N 0 0 303.366 0.252 10 30 DCEERN CCc1nnc(N2CCC[C@@H]2CS(N)(=O)=O)c(C#N)c1CC ZINC000611539603 396883438 /nfs/dbraw/zinc/88/34/38/396883438.db2.gz OZGQJEXREFPSHG-SNVBAGLBSA-N 0 0 323.422 0.730 10 30 DCEERN C=CCOCCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000611542032 396884659 /nfs/dbraw/zinc/88/46/59/396884659.db2.gz DPCSLRXFKGHQNL-UHFFFAOYSA-N 0 0 304.328 0.292 10 30 DCEERN C=CCSCCNC(=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000597218624 396916225 /nfs/dbraw/zinc/91/62/25/396916225.db2.gz PYTCHQFHMFJLTL-ZJUUUORDSA-N 0 0 309.395 0.436 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000597218226 396916815 /nfs/dbraw/zinc/91/68/15/396916815.db2.gz NBIWOOAIZZULEP-HNNXBMFYSA-N 0 0 312.435 0.785 10 30 DCEERN C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000625705176 396982056 /nfs/dbraw/zinc/98/20/56/396982056.db2.gz YIENQVYHYGJLOO-OAHLLOKOSA-N 0 0 322.453 0.117 10 30 DCEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCCC1=O ZINC000612033799 396985083 /nfs/dbraw/zinc/98/50/83/396985083.db2.gz OADSUJWUNJZFNJ-KGLIPLIRSA-N 0 0 321.421 0.976 10 30 DCEERN C=CCOCCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000618517782 396987659 /nfs/dbraw/zinc/98/76/59/396987659.db2.gz QBVMACOCHKMEPG-UHFFFAOYSA-N 0 0 316.361 0.891 10 30 DCEERN C=CCOCCCNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000618524879 396988528 /nfs/dbraw/zinc/98/85/28/396988528.db2.gz UDALLGVXDKXBCK-NSHDSACASA-N 0 0 310.316 0.958 10 30 DCEERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc(C#N)s1 ZINC000601487993 397148098 /nfs/dbraw/zinc/14/80/98/397148098.db2.gz DCUDNSGCEVKISQ-SNVBAGLBSA-N 0 0 315.420 0.571 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O ZINC000630972153 397148977 /nfs/dbraw/zinc/14/89/77/397148977.db2.gz GOUFRRQPSZADRL-LLVKDONJSA-N 0 0 300.380 0.698 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000630978983 397151557 /nfs/dbraw/zinc/15/15/57/397151557.db2.gz OOIJPLJWCOENPQ-MNOVXSKESA-N 0 0 315.395 0.155 10 30 DCEERN C[C@@H](C(=O)Nc1ccccc1-n1cncn1)n1cnc(C#N)n1 ZINC000619585773 397153009 /nfs/dbraw/zinc/15/30/09/397153009.db2.gz FCKAHHOZTVJBTA-JTQLQIEISA-N 0 0 308.305 0.930 10 30 DCEERN COC(=O)Cc1csc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n1 ZINC000619588683 397154438 /nfs/dbraw/zinc/15/44/38/397154438.db2.gz XMIICCCGHBOISK-SSDOTTSWSA-N 0 0 320.334 0.521 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)OC ZINC000601502566 397155051 /nfs/dbraw/zinc/15/50/51/397155051.db2.gz QGPYNMMLNMTGLA-LBPRGKRZSA-N 0 0 314.363 0.876 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000601502649 397155074 /nfs/dbraw/zinc/15/50/74/397155074.db2.gz SAGCVVYBPDRKHJ-SNVBAGLBSA-N 0 0 301.368 0.515 10 30 DCEERN CCOc1cccc(CCNC(=O)[C@H](C)n2cnc(C#N)n2)n1 ZINC000619597015 397155470 /nfs/dbraw/zinc/15/54/70/397155470.db2.gz QCKYOYLIHACYDS-NSHDSACASA-N 0 0 314.349 0.863 10 30 DCEERN C[C@@H](C(=O)NCCc1nn(C)c2ccccc12)n1cnc(C#N)n1 ZINC000619599436 397156439 /nfs/dbraw/zinc/15/64/39/397156439.db2.gz GPDCPUUWAIXXJJ-NSHDSACASA-N 0 0 323.360 0.956 10 30 DCEERN C=C(C)CS(=O)(=O)NC[C@@]1(C(=O)OCC)CCCOC1 ZINC000601515359 397160377 /nfs/dbraw/zinc/16/03/77/397160377.db2.gz MNSFLABLSHAIDW-ZDUSSCGKSA-N 0 0 305.396 0.842 10 30 DCEERN CNC(=O)[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CCO1 ZINC000619697653 397175702 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/nfs/dbraw/zinc/45/55/99/534455599.db2.gz HHGNCDOWKAKPJZ-CYBMUJFWSA-N 0 0 302.378 0.495 10 30 DCEERN CCOC(=O)Cc1csc(NC(=O)Cn2ccnc2C#N)n1 ZINC000123980734 520911232 /nfs/dbraw/zinc/91/12/32/520911232.db2.gz SHMQBKVHEQNJLL-UHFFFAOYSA-N 0 0 319.346 0.956 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000455407057 534600838 /nfs/dbraw/zinc/60/08/38/534600838.db2.gz LVEOEXAZEHMYGB-UPJWGTAASA-N 0 0 324.377 0.551 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000123720903 526189042 /nfs/dbraw/zinc/18/90/42/526189042.db2.gz MQGJTZPFTXLHMK-GFCCVEGCSA-N 0 0 307.375 0.630 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000129761687 526190928 /nfs/dbraw/zinc/19/09/28/526190928.db2.gz VQQKZQXZNOVVIJ-CYBMUJFWSA-N 0 0 321.402 0.878 10 30 DCEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](O)C(F)F ZINC000357405503 526377855 /nfs/dbraw/zinc/37/78/55/526377855.db2.gz CQVXVMXVYRGBQG-ISVAXAHUSA-N 0 0 306.309 0.990 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1=O ZINC000374061531 526459691 /nfs/dbraw/zinc/45/96/91/526459691.db2.gz NULDWTGNJQRPRE-CQSZACIVSA-N 0 0 321.421 0.487 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2N)C1=O ZINC000281629099 526502743 /nfs/dbraw/zinc/50/27/43/526502743.db2.gz UQHNWKZDSJLHEC-LBPRGKRZSA-N 0 0 309.391 0.676 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)CNc2ccccc2)CC1 ZINC000262419880 526531694 /nfs/dbraw/zinc/53/16/94/526531694.db2.gz DXLYNVVGZNQIPE-UHFFFAOYSA-N 0 0 316.405 0.545 10 30 DCEERN C=CCNC(=O)CN1CCN(CCCc2nc(C)no2)CC1 ZINC000357737804 526536991 /nfs/dbraw/zinc/53/69/91/526536991.db2.gz XQASUPOITSYDID-UHFFFAOYSA-N 0 0 307.398 0.230 10 30 DCEERN C=CCNC(=O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000180436078 526559809 /nfs/dbraw/zinc/55/98/09/526559809.db2.gz MCMBYQLAYGXEFG-LBPRGKRZSA-N 0 0 318.381 0.047 10 30 DCEERN CC(C)(C)S(=O)(=O)CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000368575392 526595287 /nfs/dbraw/zinc/59/52/87/526595287.db2.gz HILBOLLIOSGQEX-GFCCVEGCSA-N 0 0 313.423 0.398 10 30 DCEERN C=C(C)CS(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000367099174 526674078 /nfs/dbraw/zinc/67/40/78/526674078.db2.gz JVBHEJBOHUBUCN-UHFFFAOYSA-N 0 0 322.452 0.439 10 30 DCEERN C=CCOCCCC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000376023335 526730677 /nfs/dbraw/zinc/73/06/77/526730677.db2.gz JEERVSLTMLOBKR-ZDUSSCGKSA-N 0 0 318.439 0.852 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373832484 526773425 /nfs/dbraw/zinc/77/34/25/526773425.db2.gz SVKWMJOSSXRACB-BHPKHCPMSA-N 0 0 323.393 0.267 10 30 DCEERN C=CCOCCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC000378589512 526774577 /nfs/dbraw/zinc/77/45/77/526774577.db2.gz FCAPNKOYYXEICT-UHFFFAOYSA-N 0 0 303.322 0.778 10 30 DCEERN CC(=O)N[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCCC1 ZINC000370985148 526866724 /nfs/dbraw/zinc/86/67/24/526866724.db2.gz LOVOFLTXYJHEPG-CVEARBPZSA-N 0 0 318.421 0.880 10 30 DCEERN C#CCOCCC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000371062301 527062886 /nfs/dbraw/zinc/06/28/86/527062886.db2.gz KBEMJGMFJXSNRZ-UHFFFAOYSA-N 0 0 318.377 0.181 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc2c(c1)[nH]c(=O)n(CC)c2=O ZINC000185856645 527099228 /nfs/dbraw/zinc/09/92/28/527099228.db2.gz SGMQZZRBJGSZBM-NSHDSACASA-N 0 0 317.345 0.377 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000410998735 527173754 /nfs/dbraw/zinc/17/37/54/527173754.db2.gz RFBDUTPRRTWONG-UHFFFAOYSA-N 0 0 321.299 0.602 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000284737676 527176007 /nfs/dbraw/zinc/17/60/07/527176007.db2.gz ZTDOYTYGMUOLBT-UHFFFAOYSA-N 0 0 318.377 0.352 10 30 DCEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000080388685 527191097 /nfs/dbraw/zinc/19/10/97/527191097.db2.gz TVZBFZQUCQCCOV-UHFFFAOYSA-N 0 0 324.402 0.984 10 30 DCEERN C=CC[C@H](CO)NC(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000275906775 527195525 /nfs/dbraw/zinc/19/55/25/527195525.db2.gz VJWMDIWWYJXPNK-CYBMUJFWSA-N 0 0 307.398 0.923 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000248485824 527203926 /nfs/dbraw/zinc/20/39/26/527203926.db2.gz FCZUOSWLADNDTQ-NFAWXSAZSA-N 0 0 303.362 0.654 10 30 DCEERN C=CCCO[C@H](C)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000268529247 527390804 /nfs/dbraw/zinc/39/08/04/527390804.db2.gz CSBUENKLSDBWHK-CQSZACIVSA-N 0 0 311.426 0.590 10 30 DCEERN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CSC(=O)N2)c1 ZINC000265798833 527448888 /nfs/dbraw/zinc/44/88/88/527448888.db2.gz KAJBZRYUJSRKNT-LBPRGKRZSA-N 0 0 317.370 0.890 10 30 DCEERN CC(C)C(=O)NCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369230723 527501597 /nfs/dbraw/zinc/50/15/97/527501597.db2.gz JAKBMKOSOOZSAC-CYBMUJFWSA-N 0 0 307.398 0.140 10 30 DCEERN C=CCN(C)C(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000410481423 527554311 /nfs/dbraw/zinc/55/43/11/527554311.db2.gz FQSAIZUFKMPJPJ-CQSZACIVSA-N 0 0 309.410 0.344 10 30 DCEERN C=C[C@H](C)NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000357061218 527571361 /nfs/dbraw/zinc/57/13/61/527571361.db2.gz URRNAEQBKJMXCD-VIFPVBQESA-N 0 0 301.389 0.869 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000270788894 527584763 /nfs/dbraw/zinc/58/47/63/527584763.db2.gz LKYBWEIJCLBWIR-UHFFFAOYSA-N 0 0 307.272 0.534 10 30 DCEERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369833919 527849165 /nfs/dbraw/zinc/84/91/65/527849165.db2.gz OZAROUMVBISWRM-TZMCWYRMSA-N 0 0 322.409 0.956 10 30 DCEERN CCN(CC1CC1)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363803533 528331515 /nfs/dbraw/zinc/33/15/15/528331515.db2.gz VAZWGTKNWWHINN-CQSZACIVSA-N 0 0 312.439 0.635 10 30 DCEERN CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1 ZINC000408462717 528900939 /nfs/dbraw/zinc/90/09/39/528900939.db2.gz ALTDIIWWHDLCSA-KKUMJFAQSA-N 0 0 322.478 0.868 10 30 DCEERN CCNC(=O)CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147420994 545809248 /nfs/dbraw/zinc/80/92/48/545809248.db2.gz DIUKMGZJDXWXCD-UHFFFAOYSA-N 0 0 309.391 0.400 10 30 DCEERN Cc1noc(CNC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC000328843763 546040102 /nfs/dbraw/zinc/04/01/02/546040102.db2.gz WMANFWQYBINZEQ-UHFFFAOYSA-N 0 0 303.326 0.404 10 30 DCEERN [O-]C(NC[C@@H]1CCCC[C@@H]1O)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329389080 546047613 /nfs/dbraw/zinc/04/76/13/546047613.db2.gz RPROVADJHGYVTI-RVMXOQNASA-N 0 0 309.370 0.273 10 30 DCEERN C[C@H](Cn1ccnc1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329726702 546054118 /nfs/dbraw/zinc/05/41/18/546054118.db2.gz GQPZZTUAWNURNF-ZIAGYGMSSA-N 0 0 307.398 0.592 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000329723411 546054171 /nfs/dbraw/zinc/05/41/71/546054171.db2.gz FNOYFWRPKCJHOO-SGMGOOAPSA-N 0 0 319.365 0.636 10 30 DCEERN C#CCOCCC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000122647635 659727107 /nfs/dbraw/zinc/72/71/07/659727107.db2.gz OLRHSPCFVQYDLK-ZDUSSCGKSA-N 0 0 306.337 0.626 10 30 DCEERN CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)NC ZINC000147421863 661992634 /nfs/dbraw/zinc/99/26/34/661992634.db2.gz GFTAGWPFFKEDTH-UHFFFAOYSA-N 0 0 309.391 0.400 10 30 DCEERN NS(=O)(=O)c1ccc(N=NCc2cnn3ccccc23)nc1 ZINC000729636870 662906037 /nfs/dbraw/zinc/90/60/37/662906037.db2.gz CCGWETSYDAFBHW-UHFFFAOYSA-N 0 0 316.346 0.823 10 30 DCEERN C=CCn1nnn(CN2CCO[C@H](C(=O)OCC)C2)c1=S ZINC000741242027 664798978 /nfs/dbraw/zinc/79/89/78/664798978.db2.gz MTXWEPZWKOBVBZ-JTQLQIEISA-N 0 0 313.383 0.216 10 30 DCEERN Cc1n[nH]c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1[N+](=O)[O-] ZINC000732665140 664950606 /nfs/dbraw/zinc/95/06/06/664950606.db2.gz XYIHUMIFHNGUSL-SNVBAGLBSA-N 0 0 304.310 0.439 10 30 DCEERN Cc1nc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1C ZINC000732670371 664951305 /nfs/dbraw/zinc/95/13/05/664951305.db2.gz ZDTXXMWJNWJRFY-LBPRGKRZSA-N 0 0 309.395 0.089 10 30 DCEERN C[C@@H](Cn1ccnc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732673610 664951416 /nfs/dbraw/zinc/95/14/16/664951416.db2.gz AQCKZVWIGTWVGV-GXTWGEPZSA-N 0 0 302.382 0.653 10 30 DCEERN N#C[C@H]1CN(C(=O)N[C@@H]2CCCCNC2=O)CCN1C1CC1 ZINC000732673880 664951733 /nfs/dbraw/zinc/95/17/33/664951733.db2.gz ALGMVSFOGAPHAP-QWHCGFSZSA-N 0 0 305.382 0.037 10 30 DCEERN C=CCNC(=S)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000033611011 665181529 /nfs/dbraw/zinc/18/15/29/665181529.db2.gz TWJSRGVAULVARB-VXGBXAGGSA-N 0 0 311.363 0.639 10 30 DCEERN C#CCCNC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC000733248235 666358664 /nfs/dbraw/zinc/35/86/64/666358664.db2.gz RCJGHSFATXSFDY-UHFFFAOYSA-N 0 0 306.318 0.321 10 30 DCEERN C#CCCNS(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000733320661 666483234 /nfs/dbraw/zinc/48/32/34/666483234.db2.gz BPDNODSWIURCJT-UHFFFAOYSA-N 0 0 311.359 0.930 10 30 DCEERN C=C[C@H](CO)NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000361797015 666682981 /nfs/dbraw/zinc/68/29/81/666682981.db2.gz PQBMFRUSBNNQOJ-RXMQYKEDSA-N 0 0 309.269 0.764 10 30 DCEERN CO[C@@](C)(CO)CNS(=O)(=O)c1cccc(F)c1C#N ZINC000702537081 666967685 /nfs/dbraw/zinc/96/76/85/666967685.db2.gz NNFZPXNIXXSUFV-GFCCVEGCSA-N 0 0 302.327 0.373 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2nccnc2C#N)C1 ZINC000702852570 667011117 /nfs/dbraw/zinc/01/11/17/667011117.db2.gz STUUWPMMCJWJFB-PWSUYJOCSA-N 0 0 319.365 0.988 10 30 DCEERN C=CCn1c(C)nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120205325 667280410 /nfs/dbraw/zinc/28/04/10/667280410.db2.gz REJKSBCPYZGRRG-KOLCDFICSA-N 0 0 311.411 0.441 10 30 DCEERN COC(=O)c1ccc(=O)n(CN(C)Cc2ccc(C#N)cc2)n1 ZINC000739838553 667720764 /nfs/dbraw/zinc/72/07/64/667720764.db2.gz QOORYATXJYBPKG-UHFFFAOYSA-N 0 0 312.329 0.991 10 30 DCEERN C[S@](=O)CCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742406812 667791063 /nfs/dbraw/zinc/79/10/63/667791063.db2.gz RFHGDNZFSBKPBY-SFHVURJKSA-N 0 0 301.393 0.386 10 30 DCEERN C#CCOc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000188726485 670041911 /nfs/dbraw/zinc/04/19/11/670041911.db2.gz WTKXHLRWTKFGLW-CQSZACIVSA-N 0 0 302.374 0.837 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000720039546 685311957 /nfs/dbraw/zinc/31/19/57/685311957.db2.gz TWLDCNXHNBPXGE-UHFFFAOYSA-N 0 0 318.351 0.116 10 30 DCEERN C#CCSCCNC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000231964953 1180557407 /nfs/dbraw/zinc/55/74/07/1180557407.db2.gz IOOYHPSYAMOABC-UHFFFAOYSA-N 0 0 316.379 0.569 10 30 DCEERN CNC(=O)CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000186454620 529844415 /nfs/dbraw/zinc/84/44/15/529844415.db2.gz BIXMSKJXMIBTDD-AWEZNQCLSA-N 0 0 300.362 0.359 10 30 DCEERN CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000163292629 530034493 /nfs/dbraw/zinc/03/44/93/530034493.db2.gz AGRRAGVAAQKGEZ-AWEZNQCLSA-N 0 0 308.359 0.925 10 30 DCEERN CN(C)[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccccc1[N+](=O)[O-] ZINC000005674812 181270926 /nfs/dbraw/zinc/27/09/26/181270926.db2.gz MZNRFMNCRGXLDY-ZITAMNDBSA-N 0 0 311.363 0.741 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000086334620 192561288 /nfs/dbraw/zinc/56/12/88/192561288.db2.gz QUSHJTRWKFKRQW-GJZGRUSLSA-N 0 0 315.373 0.955 10 30 DCEERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000155759587 237046793 /nfs/dbraw/zinc/04/67/93/237046793.db2.gz NFZIOLVJQVXWEK-CMPLNLGQSA-N 0 0 314.345 0.609 10 30 DCEERN C[C@@]1(C(=O)N2CC(O)(CC#N)C2)Cc2ccccc2C(=O)O1 ZINC000186797012 237322072 /nfs/dbraw/zinc/32/20/72/237322072.db2.gz NYJPWIBOXOXZQY-HNNXBMFYSA-N 0 0 300.314 0.645 10 30 DCEERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000188902624 237382857 /nfs/dbraw/zinc/38/28/57/237382857.db2.gz LGYMLORXJSLMRW-GFCCVEGCSA-N 0 0 301.346 0.868 10 30 DCEERN Cn1ccnc(N2CCC[C@H](Nc3nccnc3C#N)C2)c1=O ZINC000275744987 238312359 /nfs/dbraw/zinc/31/23/59/238312359.db2.gz VSIHOUSKYXNMHQ-NSHDSACASA-N 0 0 311.349 0.523 10 30 DCEERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000281858033 238367891 /nfs/dbraw/zinc/36/78/91/238367891.db2.gz ZGWRRGPNMPBFLJ-MWLCHTKSSA-N 0 0 312.399 0.347 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000329723410 238655206 /nfs/dbraw/zinc/65/52/06/238655206.db2.gz FNOYFWRPKCJHOO-OUCADQQQSA-N 0 0 319.365 0.636 10 30 DCEERN N#C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CC1 ZINC000370995504 239180175 /nfs/dbraw/zinc/18/01/75/239180175.db2.gz AIEHYUNIYMZGPP-LBPRGKRZSA-N 0 0 315.333 0.989 10 30 DCEERN Cn1ncc2c1C[C@@H](C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 ZINC000373989823 239204389 /nfs/dbraw/zinc/20/43/89/239204389.db2.gz LRWUTUMEIBNTNE-WFASDCNBSA-N 0 0 313.405 0.724 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000377681322 239242716 /nfs/dbraw/zinc/24/27/16/239242716.db2.gz ZFJSODSDTCHRIX-CQSZACIVSA-N 0 0 316.386 0.919 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000407973370 239258341 /nfs/dbraw/zinc/25/83/41/239258341.db2.gz JPDICXQJJYAZGZ-MNOVXSKESA-N 0 0 312.399 0.463 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000408116313 239260866 /nfs/dbraw/zinc/26/08/66/239260866.db2.gz WFNCYMHFPRIISC-CMPLNLGQSA-N 0 0 315.395 0.003 10 30 DCEERN N#C[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCO1 ZINC000408095762 239261589 /nfs/dbraw/zinc/26/15/89/239261589.db2.gz QAZOOTNXBJTJLY-CYBMUJFWSA-N 0 0 317.349 0.674 10 30 DCEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)CCCC#N ZINC000188294791 291630792 /nfs/dbraw/zinc/63/07/92/291630792.db2.gz RFWQCOJIGJOWJO-UTUOFQBUSA-N 0 0 300.380 0.893 10 30 DCEERN CCN(CCC#N)C(=O)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000161198160 284845910 /nfs/dbraw/zinc/84/59/10/284845910.db2.gz CXOBHSWNMPFZIY-GFCCVEGCSA-N 0 0 307.354 0.514 10 30 DCEERN COCCOCCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369217854 533063060 /nfs/dbraw/zinc/06/30/60/533063060.db2.gz CWCKFAFUWAMACK-CQSZACIVSA-N 0 0 310.398 0.421 10 30 DCEERN N#Cc1ccnc(C(=O)N2CCC[C@H]2CN2CCOCC2)c1 ZINC000283564468 131003917 /nfs/dbraw/zinc/00/39/17/131003917.db2.gz VWBVGXLRSZXVDC-AWEZNQCLSA-N 0 0 300.362 0.890 10 30 DCEERN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NO)cc1 ZINC000013801714 395688966 /nfs/dbraw/zinc/68/89/66/395688966.db2.gz WFVYENBQHIIIQE-GFCCVEGCSA-N 0 0 314.363 0.744 10 30 DCEERN CCC[C@@H](CC(=O)OC)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000092946797 395735100 /nfs/dbraw/zinc/73/51/00/395735100.db2.gz QAMPULDVFXQWOM-VIFPVBQESA-N 0 0 308.338 0.099 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000042541395 395746399 /nfs/dbraw/zinc/74/63/99/395746399.db2.gz GMEMUNCEQQNJCA-KGLIPLIRSA-N 0 0 310.442 0.209 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)cnc1OCCC1CCOCC1 ZINC000116885062 395847893 /nfs/dbraw/zinc/84/78/93/395847893.db2.gz UAUVSHXFZLHMRG-UHFFFAOYSA-N 0 0 311.363 0.796 10 30 DCEERN N#Cc1cccnc1N1CCN(c2cncc3ncnn32)CC1 ZINC000271285520 395854815 /nfs/dbraw/zinc/85/48/15/395854815.db2.gz OXLBJGXMOIXHJK-UHFFFAOYSA-N 0 0 306.333 0.718 10 30 DCEERN CC1CCC(NS(=O)(=O)CC(=O)N[C@H](C#N)C2CC2)CC1 ZINC000109286704 395797460 /nfs/dbraw/zinc/79/74/60/395797460.db2.gz MSNNFKDEMOKSTR-KGPNIALWSA-N 0 0 313.423 0.903 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000273379122 395917505 /nfs/dbraw/zinc/91/75/05/395917505.db2.gz DPAIFJPONRKQBX-GFCCVEGCSA-N 0 0 319.361 0.507 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000273420482 395920517 /nfs/dbraw/zinc/92/05/17/395920517.db2.gz MNTXDOYHBFEALL-ZDUSSCGKSA-N 0 0 319.361 0.945 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000273612151 395933691 /nfs/dbraw/zinc/93/36/91/395933691.db2.gz WKDZNTIYDARSFF-GFCCVEGCSA-N 0 0 319.361 0.892 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](CCCC)C(=O)OC)CC1 ZINC000067226425 396022832 /nfs/dbraw/zinc/02/28/32/396022832.db2.gz WOWJMLGFMLKRDZ-CQSZACIVSA-N 0 0 311.426 0.638 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000067704632 396030613 /nfs/dbraw/zinc/03/06/13/396030613.db2.gz FMWVIYOXBAPTKT-HNNXBMFYSA-N 0 0 313.357 0.764 10 30 DCEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C#N)cn1C ZINC000152457253 396009985 /nfs/dbraw/zinc/00/99/85/396009985.db2.gz JGUDXOXTMJXPON-NSHDSACASA-N 0 0 314.349 0.900 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279509613 396180537 /nfs/dbraw/zinc/18/05/37/396180537.db2.gz QEUJMVHDTLWYOK-KRWDZBQOSA-N 0 0 311.341 0.345 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078627681 396250211 /nfs/dbraw/zinc/25/02/11/396250211.db2.gz GBTAVVDNRASLLJ-UHFFFAOYSA-N 0 0 319.365 0.722 10 30 DCEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1nc[nH]n1 ZINC000179002289 396217614 /nfs/dbraw/zinc/21/76/14/396217614.db2.gz AZNCJYJIXZZRBB-UHFFFAOYSA-N 0 0 305.363 0.582 10 30 DCEERN C=CCOCCCN1C(=O)[C@@H]2C[C@H](C(=O)OC)CCN2C1=O ZINC000594744657 396504029 /nfs/dbraw/zinc/50/40/29/396504029.db2.gz KJUPRZRVRFZLOE-NEPJUHHUSA-N 0 0 310.350 0.795 10 30 DCEERN C=CCSCCNS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594752937 396506481 /nfs/dbraw/zinc/50/64/81/396506481.db2.gz XLZOGZHWBGGTNK-VXGBXAGGSA-N 0 0 309.453 0.877 10 30 DCEERN CCc1nnc([C@@H]2CN(C(=O)c3ccnc(C#N)c3)CCO2)[nH]1 ZINC000193383499 396450100 /nfs/dbraw/zinc/45/01/00/396450100.db2.gz ITZAJEMTGRPICF-LBPRGKRZSA-N 0 0 312.333 0.847 10 30 DCEERN CCN1CCO[C@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC000371466435 396467472 /nfs/dbraw/zinc/46/74/72/396467472.db2.gz ORENHLUSANKFIL-INIZCTEOSA-N 0 0 315.421 0.796 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N1CCc2nccnc2C1 ZINC000595215837 396565336 /nfs/dbraw/zinc/56/53/36/396565336.db2.gz BENQRYOPBBJPHN-UHFFFAOYSA-N 0 0 320.418 0.787 10 30 DCEERN CCCN(CCO)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860559 396669241 /nfs/dbraw/zinc/66/92/41/396669241.db2.gz JSJBXADWEGYMMF-UHFFFAOYSA-N 0 0 307.325 0.544 10 30 DCEERN Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000587988601 396673614 /nfs/dbraw/zinc/67/36/14/396673614.db2.gz SQKMANCGUUFWHE-GXFFZTMASA-N 0 0 311.349 0.996 10 30 DCEERN COCCN1C(=O)N[C@@H]2CN(c3ccnc(C#N)c3)CC[C@@H]21 ZINC000299741567 396713162 /nfs/dbraw/zinc/71/31/62/396713162.db2.gz GKGHHNLHUKPLJV-KGLIPLIRSA-N 0 0 301.350 0.572 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23C[C@H]2CCCC3)C1=O ZINC000634082871 396787123 /nfs/dbraw/zinc/78/71/23/396787123.db2.gz ZYWCUKKOXCBFMQ-MEBBXXQBSA-N 0 0 305.334 0.412 10 30 DCEERN Cn1cnnc1[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000328623139 396825364 /nfs/dbraw/zinc/82/53/64/396825364.db2.gz IXHRDSGPAAPXJL-QWRGUYRKSA-N 0 0 311.411 0.998 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCC23CC3)C1=O ZINC000629833624 396852131 /nfs/dbraw/zinc/85/21/31/396852131.db2.gz KSJTZEPMIIDGFW-LLVKDONJSA-N 0 0 319.361 0.660 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)c2cn(CC)cn2)C1=O ZINC000330858288 396865214 /nfs/dbraw/zinc/86/52/14/396865214.db2.gz QPYUHAGDLODEKI-NSHDSACASA-N 0 0 312.395 0.310 10 30 DCEERN C=CCCS(=O)(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000625422169 396867116 /nfs/dbraw/zinc/86/71/16/396867116.db2.gz UZKZPVKBKDYQJT-NSHDSACASA-N 0 0 322.394 0.199 10 30 DCEERN CCN1C(=O)[C@@H]2CN(c3nc(C)cc(C#N)n3)CCN2C1=O ZINC000376408392 396923865 /nfs/dbraw/zinc/92/38/65/396923865.db2.gz PCMGGDQXRDDUPD-NSHDSACASA-N 0 0 300.322 0.129 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CC(=O)NC)CC1 ZINC000611769495 396926563 /nfs/dbraw/zinc/92/65/63/396926563.db2.gz QPZVFTBKRHQKED-AWEZNQCLSA-N 0 0 309.410 0.832 10 30 DCEERN Cc1nnc(N2CCC[C@](O)(CC(=O)N(C)C)C2)c(C#N)c1C ZINC000591618013 396944681 /nfs/dbraw/zinc/94/46/81/396944681.db2.gz MZVQCQQCZQWLCL-INIZCTEOSA-N 0 0 317.393 0.775 10 30 DCEERN C=CC[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000625705128 396982956 /nfs/dbraw/zinc/98/29/56/396982956.db2.gz SDZHYLKKPCEPCI-JTQLQIEISA-N 0 0 318.377 0.947 10 30 DCEERN C=CCOCCCNC(=O)c1cn(C)c2c(cnn2C)c1=O ZINC000618524758 396988294 /nfs/dbraw/zinc/98/82/94/396988294.db2.gz OUNORJKNDBGWPS-UHFFFAOYSA-N 0 0 304.350 0.595 10 30 DCEERN C=CCOCCCNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000618522280 396988465 /nfs/dbraw/zinc/98/84/65/396988465.db2.gz BRUJZGYDZHWNOV-LBPRGKRZSA-N 0 0 323.393 0.948 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@H](C)O2)C1=O ZINC000618576310 396995204 /nfs/dbraw/zinc/99/52/04/396995204.db2.gz NTTMZJUTFJVDON-QWRGUYRKSA-N 0 0 323.349 0.037 10 30 DCEERN C=CCNC(=O)Cn1cc(CNCC(=O)OC(C)(C)C)nn1 ZINC000600976308 396977491 /nfs/dbraw/zinc/97/74/91/396977491.db2.gz MSNDLDBKDCGWMW-UHFFFAOYSA-N 0 0 309.370 0.012 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1=O ZINC000348581367 397046561 /nfs/dbraw/zinc/04/65/61/397046561.db2.gz QCNDJHVQKMZWMZ-USZNOCQGSA-N 0 0 307.350 0.119 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000630979971 397151505 /nfs/dbraw/zinc/15/15/05/397151505.db2.gz VVPWJVVFCKYBBD-STQMWFEESA-N 0 0 321.377 0.653 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC ZINC000601502623 397154418 /nfs/dbraw/zinc/15/44/18/397154418.db2.gz RISDLPFNMPHGIK-WDEREUQCSA-N 0 0 303.384 0.563 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)OC ZINC000601500956 397154867 /nfs/dbraw/zinc/15/48/67/397154867.db2.gz DZRPQTMJLVQUAG-VXGBXAGGSA-N 0 0 305.396 0.839 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)OC ZINC000601502773 397155501 /nfs/dbraw/zinc/15/55/01/397155501.db2.gz USCCXVGIUIUDSX-NSHDSACASA-N 0 0 301.368 0.689 10 30 DCEERN CC[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)OC(C)(C)C ZINC000619597045 397155561 /nfs/dbraw/zinc/15/55/61/397155561.db2.gz KGTJKEWFQBDZML-VHSXEESVSA-N 0 0 307.354 0.947 10 30 DCEERN C[C@H](C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)n1cnc(C#N)n1 ZINC000619600103 397156359 /nfs/dbraw/zinc/15/63/59/397156359.db2.gz HDIVQRRYZRFSTR-JTNHKYCSSA-N 0 0 305.338 0.117 10 30 DCEERN C[C@@H](C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1)n1cnc(C#N)n1 ZINC000619617396 397161632 /nfs/dbraw/zinc/16/16/32/397161632.db2.gz CYGYWNNQVKOUIN-ZAZJYDDPSA-N 0 0 319.365 0.506 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)C1=O ZINC000601545074 397173315 /nfs/dbraw/zinc/17/33/15/397173315.db2.gz DIMRKUAARWVJDF-YVECIDJPSA-N 0 0 324.377 0.198 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000613037231 397182815 /nfs/dbraw/zinc/18/28/15/397182815.db2.gz NOEFYCDNPFHTJD-CQSZACIVSA-N 0 0 311.426 0.372 10 30 DCEERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)C1=O ZINC000619797660 397193530 /nfs/dbraw/zinc/19/35/30/397193530.db2.gz IZEUHVKALMOXNP-CYBMUJFWSA-N 0 0 307.375 0.766 10 30 DCEERN C=CCOCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC000613365301 397248382 /nfs/dbraw/zinc/24/83/82/397248382.db2.gz VYNUAAYOGLFPQO-CABCVRRESA-N 0 0 319.361 0.299 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](CO)C2)c(F)c1 ZINC000619878806 397203047 /nfs/dbraw/zinc/20/30/47/397203047.db2.gz DTVWQKIEZASEKH-LBPRGKRZSA-N 0 0 319.336 0.544 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)OC ZINC000601780683 397243178 /nfs/dbraw/zinc/24/31/78/397243178.db2.gz ZYZNQTWOVVTHOI-LLVKDONJSA-N 0 0 310.350 0.540 10 30 DCEERN C=C(C)C[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)OC ZINC000601783513 397244071 /nfs/dbraw/zinc/24/40/71/397244071.db2.gz WZZSSIRQCWOCLJ-WVMKXHBISA-N 0 0 309.362 0.852 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)OC ZINC000601784821 397244081 /nfs/dbraw/zinc/24/40/81/397244081.db2.gz HJRMZAACLFMPID-WDEREUQCSA-N 0 0 314.407 0.922 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000613645584 397292748 /nfs/dbraw/zinc/29/27/48/397292748.db2.gz JRUWTPZRMLQBCG-CQSZACIVSA-N 0 0 307.394 0.584 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000613385442 397252730 /nfs/dbraw/zinc/25/27/30/397252730.db2.gz TWDGCAPGSANDBK-HUUCEWRRSA-N 0 0 315.373 0.989 10 30 DCEERN N#Cc1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)ccc1F ZINC000407955346 397335566 /nfs/dbraw/zinc/33/55/66/397335566.db2.gz HTRWMARFMUPIPX-UHFFFAOYSA-N 0 0 323.349 0.693 10 30 DCEERN C=C(C)C[C@@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)OC ZINC000602195432 397341032 /nfs/dbraw/zinc/34/10/32/397341032.db2.gz LDXYSYLFPWMIIK-WDEREUQCSA-N 0 0 303.380 0.578 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(N)=O)c1ccccn1 ZINC000577604505 397344647 /nfs/dbraw/zinc/34/46/47/397344647.db2.gz ATNNRVLYWKGGHE-WCFLWFBJSA-N 0 0 304.350 0.498 10 30 DCEERN C=CCSCCNC(=O)N1CCOC[C@H]1CNC(=O)NC ZINC000602243820 397351427 /nfs/dbraw/zinc/35/14/27/397351427.db2.gz CSDTZOHYMLGAQQ-LLVKDONJSA-N 0 0 316.427 0.245 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(C(=O)NCC)CCC1 ZINC000613965711 397355022 /nfs/dbraw/zinc/35/50/22/397355022.db2.gz MDFZYUICLAEYAC-CYBMUJFWSA-N 0 0 309.410 0.880 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C)n(C)c1=O ZINC000614122982 397385809 /nfs/dbraw/zinc/38/58/09/397385809.db2.gz MSUVWTAJDBFRKC-CQSZACIVSA-N 0 0 305.378 0.781 10 30 DCEERN C=CCN(CCC#N)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000602153195 397325090 /nfs/dbraw/zinc/32/50/90/397325090.db2.gz LMJBFXQWYKFZLR-OLZOCXBDSA-N 0 0 301.350 0.344 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cnn(CCOC)c1 ZINC000614477945 397446019 /nfs/dbraw/zinc/44/60/19/397446019.db2.gz FVLKURPEQSRJII-CQSZACIVSA-N 0 0 308.382 0.617 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000599276608 397388413 /nfs/dbraw/zinc/38/84/13/397388413.db2.gz BWBRSLAYFLIEIN-SECBINFHSA-N 0 0 318.351 0.208 10 30 DCEERN C=C[C@@H](O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000614188935 397395034 /nfs/dbraw/zinc/39/50/34/397395034.db2.gz MFOWRGMTAIOJDX-GFCCVEGCSA-N 0 0 317.349 0.832 10 30 DCEERN C=CCC[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604458 397407109 /nfs/dbraw/zinc/40/71/09/397407109.db2.gz LKVKQYYNAAZUSA-VIFPVBQESA-N 0 0 301.324 0.595 10 30 DCEERN C=CCCn1cc(C[S@](=O)CC(=O)NCC(F)(F)F)nn1 ZINC000593939461 397483983 /nfs/dbraw/zinc/48/39/83/397483983.db2.gz YTDHPHYCUYVLNR-NRFANRHFSA-N 0 0 324.328 0.781 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CCn1ccnc1)C(=O)OC ZINC000603397030 397605891 /nfs/dbraw/zinc/60/58/91/397605891.db2.gz OCPWFSXBNOUSAS-NSHDSACASA-N 0 0 301.368 0.310 10 30 DCEERN N#Cc1cccc(CC(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000610521146 397829091 /nfs/dbraw/zinc/82/90/91/397829091.db2.gz OBFIURKWONZEIR-UHFFFAOYSA-N 0 0 321.402 0.643 10 30 DCEERN CN(CC(=O)N1CCN(C)CC1)C(=O)Cc1cccc(C#N)c1 ZINC000610555710 397832104 /nfs/dbraw/zinc/83/21/04/397832104.db2.gz NCBVWJNYSNFTRP-UHFFFAOYSA-N 0 0 314.389 0.333 10 30 DCEERN C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)C[C@H](C(N)=O)O1 ZINC000122179213 158218354 /nfs/dbraw/zinc/21/83/54/158218354.db2.gz FJPXLJUTRLAUKK-NOZJJQNGSA-N 0 0 320.324 0.482 10 30 DCEERN N#Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)ccn1 ZINC000193801608 158590210 /nfs/dbraw/zinc/59/02/10/158590210.db2.gz PRZAAMBGDPXPDA-UHFFFAOYSA-N 0 0 309.329 0.785 10 30 DCEERN N#Cc1cnc(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cn1 ZINC000328802342 159030464 /nfs/dbraw/zinc/03/04/64/159030464.db2.gz AUPABYZROGQDAF-AWEZNQCLSA-N 0 0 315.377 0.956 10 30 DCEERN Cc1c([C@H]2[C@H](Nc3ccnc(C#N)c3)CC(=O)N2C)cnn1C ZINC000329215306 159074441 /nfs/dbraw/zinc/07/44/41/159074441.db2.gz MMBPWUPPFQILLI-ZBFHGGJFSA-N 0 0 310.361 0.801 10 30 DCEERN CCN1CCO[C@@H](CN2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000368431191 159394447 /nfs/dbraw/zinc/39/44/47/159394447.db2.gz AHGPXFLMYVPTFJ-OAHLLOKOSA-N 0 0 316.409 0.191 10 30 DCEERN Cc1nn([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000408010962 160010577 /nfs/dbraw/zinc/01/05/77/160010577.db2.gz YTEITDIVNFWTNF-JQWIXIFHSA-N 0 0 310.379 0.270 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000408366182 160092841 /nfs/dbraw/zinc/09/28/41/160092841.db2.gz NGIFFTQKLWCLEB-LBPRGKRZSA-N 0 0 316.365 0.011 10 30 DCEERN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC(=O)NC1=O ZINC000271143007 415262163 /nfs/dbraw/zinc/26/21/63/415262163.db2.gz BLALXMMWJYPBKR-NSHDSACASA-N 0 0 319.292 0.764 10 30 DCEERN C=CCNC(=O)[C@H](C)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352551537 415221991 /nfs/dbraw/zinc/22/19/91/415221991.db2.gz YPYBEEBJWIAZMR-RYUDHWBXSA-N 0 0 303.428 0.033 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccnc(OC)c2)CC1 ZINC000342860599 415320182 /nfs/dbraw/zinc/32/01/82/415320182.db2.gz PRYJAWXEXOGSLR-UHFFFAOYSA-N 0 0 304.394 0.510 10 30 DCEERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000091414247 415533902 /nfs/dbraw/zinc/53/39/02/415533902.db2.gz BASHAGSDVXYSJJ-UHFFFAOYSA-N 0 0 318.308 0.230 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCCn1cc(Br)cn1 ZINC000286681307 415635773 /nfs/dbraw/zinc/63/57/73/415635773.db2.gz CIPFGELMTDDLKN-SNVBAGLBSA-N 0 0 317.187 0.882 10 30 DCEERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000101576787 415595174 /nfs/dbraw/zinc/59/51/74/415595174.db2.gz SFVXHGNZXJNEAT-GFCCVEGCSA-N 0 0 316.427 0.313 10 30 DCEERN C#CCOc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 ZINC000288056368 415674962 /nfs/dbraw/zinc/67/49/62/415674962.db2.gz FPMKIGJFKAEVPI-UHFFFAOYSA-N 0 0 311.341 0.897 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)c1 ZINC000108614340 415680173 /nfs/dbraw/zinc/68/01/73/415680173.db2.gz IODBGTAMNANHLH-ZDUSSCGKSA-N 0 0 302.330 0.884 10 30 DCEERN C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000118718733 415736200 /nfs/dbraw/zinc/73/62/00/415736200.db2.gz LSAGMFXNSQMPHJ-LLVKDONJSA-N 0 0 312.391 0.652 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000291471753 415832591 /nfs/dbraw/zinc/83/25/91/415832591.db2.gz MVTQLLNNJCRGCZ-CQSZACIVSA-N 0 0 317.389 0.388 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000291864101 415834594 /nfs/dbraw/zinc/83/45/94/415834594.db2.gz UOTMSRZTLLPGOT-GFCCVEGCSA-N 0 0 316.361 0.873 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000354203895 415783393 /nfs/dbraw/zinc/78/33/93/415783393.db2.gz CVIVCBPRGPESJT-LLVKDONJSA-N 0 0 303.322 0.029 10 30 DCEERN C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H](COC)C(N)=O ZINC000354593742 415806007 /nfs/dbraw/zinc/80/60/07/415806007.db2.gz KGFAZTDNOIPLAE-ZDUSSCGKSA-N 0 0 322.361 0.832 10 30 DCEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000290682105 415822996 /nfs/dbraw/zinc/82/29/96/415822996.db2.gz VQWWWDDOGWTYFA-GJZGRUSLSA-N 0 0 324.446 0.873 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000295969130 415902865 /nfs/dbraw/zinc/90/28/65/415902865.db2.gz KCNIVVASJAVHJK-NSHDSACASA-N 0 0 302.334 0.943 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000355302145 415859311 /nfs/dbraw/zinc/85/93/11/415859311.db2.gz VIMUCCLNCLLMLU-AWEZNQCLSA-N 0 0 314.407 0.040 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)N[C@H](C)c1ccncc1OC ZINC000355473962 415862464 /nfs/dbraw/zinc/86/24/64/415862464.db2.gz MGBBQRSRFWPXPF-GFCCVEGCSA-N 0 0 321.377 0.928 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297702304 415970747 /nfs/dbraw/zinc/97/07/47/415970747.db2.gz MGLHBBUNYLJTDN-UHFFFAOYSA-N 0 0 319.409 0.493 10 30 DCEERN C=CCCCCCN(C)C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000297828938 415978627 /nfs/dbraw/zinc/97/86/27/415978627.db2.gz NJRJCSGVEXOCBP-CYBMUJFWSA-N 0 0 309.410 0.880 10 30 DCEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000297948641 415985762 /nfs/dbraw/zinc/98/57/62/415985762.db2.gz ULVYMDAGUWCTAI-MRXNPFEDSA-N 0 0 310.394 0.819 10 30 DCEERN N#Cc1ccc(OC2CN(C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000158560635 415999038 /nfs/dbraw/zinc/99/90/38/415999038.db2.gz HTDXYRHQDDPLGA-HNNXBMFYSA-N 0 0 317.389 0.314 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000337260676 415935220 /nfs/dbraw/zinc/93/52/20/415935220.db2.gz WRYOBIQYUHNRCX-LBPRGKRZSA-N 0 0 308.382 0.839 10 30 DCEERN CN1CC[C@H](C(=O)NCCOc2ccc(C#N)cc2)CC1=O ZINC000173907631 416067347 /nfs/dbraw/zinc/06/73/47/416067347.db2.gz BHRXRMNIIBMBIT-ZDUSSCGKSA-N 0 0 301.346 0.922 10 30 DCEERN CNC(=O)[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329193833 416155508 /nfs/dbraw/zinc/15/55/08/416155508.db2.gz RQDNQQHUXIMXMO-NOOOWODRSA-N 0 0 322.369 0.477 10 30 DCEERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C#N)cn3C)CCO2)[nH]1 ZINC000176197128 416119723 /nfs/dbraw/zinc/11/97/23/416119723.db2.gz WXTRRGCUTMXFJQ-LBPRGKRZSA-N 0 0 314.349 0.791 10 30 DCEERN Cn1ccnc(N2CCC(Nc3ccc(C#N)cn3)CC2)c1=O ZINC000328624493 416123189 /nfs/dbraw/zinc/12/31/89/416123189.db2.gz CKGJSADEVMXISR-UHFFFAOYSA-N 0 0 310.361 1.128 10 30 DCEERN C[C@H](Cn1cncn1)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000328760985 416130512 /nfs/dbraw/zinc/13/05/12/416130512.db2.gz XYEZCIYLBXDWOP-GFCCVEGCSA-N 0 0 310.402 0.281 10 30 DCEERN C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)N1CCOCC1 ZINC000329229397 416156969 /nfs/dbraw/zinc/15/69/69/416156969.db2.gz COVBKXFUXNPQIU-FRRDWIJNSA-N 0 0 313.398 0.299 10 30 DCEERN COC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000179001306 416179198 /nfs/dbraw/zinc/17/91/98/416179198.db2.gz FQSXMPUGTIUDMN-CQSZACIVSA-N 0 0 324.402 0.679 10 30 DCEERN CN1C(=O)c2ccc(NC(=O)Cn3ccnc3C#N)cc2C1=O ZINC000179887510 416194040 /nfs/dbraw/zinc/19/40/40/416194040.db2.gz KAZJYERCROHQGE-UHFFFAOYSA-N 0 0 309.285 0.619 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000347895030 416228191 /nfs/dbraw/zinc/22/81/91/416228191.db2.gz QYEHOCHNGIUJIJ-CQSZACIVSA-N 0 0 318.377 0.254 10 30 DCEERN CC[C@@H]1CN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCS1 ZINC000329244508 416158379 /nfs/dbraw/zinc/15/83/79/416158379.db2.gz UOQVGLJWNYSBOP-GRYCIOLGSA-N 0 0 311.411 0.959 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000350008032 416264734 /nfs/dbraw/zinc/26/47/34/416264734.db2.gz IBMFXPZPECZVKZ-QMMMGPOBSA-N 0 0 304.328 0.027 10 30 DCEERN C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000193884819 416319590 /nfs/dbraw/zinc/31/95/90/416319590.db2.gz ZQUWXTQHDQDBRC-FZMZJTMJSA-N 0 0 316.361 0.761 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OC(C)C)nn1 ZINC000342225093 416296961 /nfs/dbraw/zinc/29/69/61/416296961.db2.gz BBVVSEJMZPEXCU-UHFFFAOYSA-N 0 0 322.365 0.863 10 30 DCEERN C[C@@H](C(=O)NC1(C(N)=O)CCC(C)(C)CC1)n1cnc(C#N)n1 ZINC000360244394 416382039 /nfs/dbraw/zinc/38/20/39/416382039.db2.gz ATACVBMQDKEYQM-JTQLQIEISA-N 0 0 318.381 0.651 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000584183100 416507345 /nfs/dbraw/zinc/50/73/45/416507345.db2.gz VBPGYTNGWIGHFS-CQSZACIVSA-N 0 0 309.410 0.392 10 30 DCEERN CC[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1CCCC1=O ZINC000362889674 416573225 /nfs/dbraw/zinc/57/32/25/416573225.db2.gz UMFKBJIUORGNGP-UONOGXRCSA-N 0 0 304.394 0.586 10 30 DCEERN C=CCN(C)C(=O)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000596541913 416584614 /nfs/dbraw/zinc/58/46/14/416584614.db2.gz HSGKJSJYPYDRIB-UHFFFAOYSA-N 0 0 322.365 0.808 10 30 DCEERN C=CCCNC(=O)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000596549281 416584937 /nfs/dbraw/zinc/58/49/37/416584937.db2.gz GFRVFHKEXLSDFH-UHFFFAOYSA-N 0 0 322.365 0.856 10 30 DCEERN C[C@@](O)(C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)C1CC1 ZINC000367832925 416653442 /nfs/dbraw/zinc/65/34/42/416653442.db2.gz AVGNFGSIFPFPTD-KRWDZBQOSA-N 0 0 314.389 1.517 10 30 DCEERN N#CC1CCC(CNC(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000440987515 416657450 /nfs/dbraw/zinc/65/74/50/416657450.db2.gz PNEDMXPWTLEZSO-UHFFFAOYSA-N 0 0 305.338 0.903 10 30 DCEERN C=CCCn1cc(C(=O)N(CCO)Cc2ccnn2CC)nn1 ZINC000424804842 416667888 /nfs/dbraw/zinc/66/78/88/416667888.db2.gz AGLDYEQJJPHOIB-UHFFFAOYSA-N 0 0 318.381 0.705 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000615058761 416749243 /nfs/dbraw/zinc/74/92/43/416749243.db2.gz UOXUWBQKWVJTCT-LOWVWBTDSA-N 0 0 316.423 0.491 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000425797890 416726990 /nfs/dbraw/zinc/72/69/90/416726990.db2.gz XEJNYKUNPLZIBN-AAEUAGOBSA-N 0 0 316.361 1.000 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000425795930 416727236 /nfs/dbraw/zinc/72/72/36/416727236.db2.gz 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/nfs/dbraw/zinc/97/69/49/657976949.db2.gz XEUGMNOAGSGAAS-MMQHEFTJSA-N 0 0 304.346 0.688 10 30 DCEERN C[C@H](C#N)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000160607669 658248264 /nfs/dbraw/zinc/24/82/64/658248264.db2.gz RJHSCISDCIMGQM-SSDOTTSWSA-N 0 0 322.795 0.934 10 30 DCEERN C#CC[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000255288761 658514920 /nfs/dbraw/zinc/51/49/20/658514920.db2.gz ZXNGQFNMHTXFPK-YXVBKTCISA-N 0 0 302.330 0.442 10 30 DCEERN Cn1nncc1CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000329286169 659115973 /nfs/dbraw/zinc/11/59/73/659115973.db2.gz GTZMSMQMTRHJMP-UHFFFAOYSA-N 0 0 303.370 0.838 10 30 DCEERN C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000328076303 659487225 /nfs/dbraw/zinc/48/72/25/659487225.db2.gz FSBRQEKWRDNGFQ-MELADBBJSA-N 0 0 307.394 0.836 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(C)C2=O)c1 ZINC000294555491 659574024 /nfs/dbraw/zinc/57/40/24/659574024.db2.gz SNSRDRGHKXJXOF-AWEZNQCLSA-N 0 0 313.357 0.591 10 30 DCEERN CC(C)[C@]1(C)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000738046826 661664385 /nfs/dbraw/zinc/66/43/85/661664385.db2.gz XTZYESZHYROVFC-BBRMVZONSA-N 0 0 319.409 0.583 10 30 DCEERN C#CCN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)CC1 ZINC000305293684 662470917 /nfs/dbraw/zinc/47/09/17/662470917.db2.gz FVCJAWFCCOUYAJ-AWEZNQCLSA-N 0 0 302.374 0.724 10 30 DCEERN C=CCC(CC=C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000151520720 664661739 /nfs/dbraw/zinc/66/17/39/664661739.db2.gz LRBMHCZJAUAWEG-ZDUSSCGKSA-N 0 0 324.402 0.721 10 30 DCEERN N#C[C@@H]1CN(CN2C(=O)c3ccccc3C2=O)CCN1C1CC1 ZINC000732673190 664951323 /nfs/dbraw/zinc/95/13/23/664951323.db2.gz XGTRHQKEUGMDGD-CYBMUJFWSA-N 0 0 310.357 0.912 10 30 DCEERN CC(C)(C)NC(=O)CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732677192 664952075 /nfs/dbraw/zinc/95/20/75/664952075.db2.gz LLPVLYGTGQNIKR-ZDUSSCGKSA-N 0 0 321.425 0.673 10 30 DCEERN C#CCCNC(=O)c1cccc(S(=O)(=O)NCCOC)c1 ZINC000733288698 666474360 /nfs/dbraw/zinc/47/43/60/666474360.db2.gz VYUOTVDMQMYBIE-UHFFFAOYSA-N 0 0 310.375 0.364 10 30 DCEERN C#CCCNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000733338395 666497243 /nfs/dbraw/zinc/49/72/43/666497243.db2.gz BRXLGYNTYWIQHH-UHFFFAOYSA-N 0 0 306.366 0.564 10 30 DCEERN C=CCNc1nc(C(=O)OCCCS(=O)(=O)NC)cs1 ZINC000735967237 667066787 /nfs/dbraw/zinc/06/67/87/667066787.db2.gz BOEZNRAVOIZXAV-UHFFFAOYSA-N 0 0 319.408 0.837 10 30 DCEERN C=CCCCN(C)Cn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O ZINC000736589448 667201334 /nfs/dbraw/zinc/20/13/34/667201334.db2.gz HKINNBNROSZXRP-UHFFFAOYSA-N 0 0 320.393 0.399 10 30 DCEERN C#CCSCCNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000739825100 667720708 /nfs/dbraw/zinc/72/07/08/667720708.db2.gz RFSYOUDBPFBHFQ-UHFFFAOYSA-N 0 0 315.398 0.959 10 30 DCEERN C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C#N ZINC000131569379 669673568 /nfs/dbraw/zinc/67/35/68/669673568.db2.gz AZRVUJKKFMMHIX-VIFPVBQESA-N 0 0 303.322 0.611 10 30 DCEERN C#C[C@@H](CO)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000718193071 685304389 /nfs/dbraw/zinc/30/43/89/685304389.db2.gz JEZBQSBCCAMEOS-QMMMGPOBSA-N 0 0 309.265 0.858 10 30 DCEERN N#CCSc1ccccc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000089755261 685101225 /nfs/dbraw/zinc/10/12/25/685101225.db2.gz ZEKJLFJMWKNUPF-JTQLQIEISA-N 0 0 303.343 0.837 10 30 DCEERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)C2CC2)ccc1F ZINC000177469466 685146670 /nfs/dbraw/zinc/14/66/70/685146670.db2.gz SAMLQGSSBRHMCM-NSHDSACASA-N 0 0 311.338 0.766 10 30 DCEERN C#C[C@](C)(CC)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000384195982 1158194038 /nfs/dbraw/zinc/19/40/38/1158194038.db2.gz XZJHMWIKWOAJED-GFCCVEGCSA-N 0 0 316.404 0.414 10 30 DCEERN C=CCC[C@H](CO)NC(=O)c1c(Br)nnn1C ZINC000316656177 1190415656 /nfs/dbraw/zinc/41/56/56/1190415656.db2.gz QDSPXVNTDFKFBG-SSDOTTSWSA-N 0 0 303.160 0.635 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000425485084 334925993 /nfs/dbraw/zinc/92/59/93/334925993.db2.gz XJOCYPNWPBXFIX-SRVKXCTJSA-N 0 0 304.412 0.700 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]21 ZINC000408459769 529790661 /nfs/dbraw/zinc/79/06/61/529790661.db2.gz JYKVKMABEFVYCV-OLZOCXBDSA-N 0 0 315.439 0.661 10 30 DCEERN CC(C)[C@@H](CNC(=O)c1cc(C#N)cn1C)N1CCOCC1 ZINC000080979471 192207118 /nfs/dbraw/zinc/20/71/18/192207118.db2.gz CFJWLNCKBYVTMB-OAHLLOKOSA-N 0 0 304.394 0.983 10 30 DCEERN N#Cc1cccc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)n1 ZINC000408036353 283208417 /nfs/dbraw/zinc/20/84/17/283208417.db2.gz RSAMEPJCKPLQHF-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCc2cccnc2-n2cccn2)CCO1 ZINC000171595896 237133822 /nfs/dbraw/zinc/13/38/22/237133822.db2.gz VYUIKSHUTAERTC-CYBMUJFWSA-N 0 0 312.333 0.701 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1CCO ZINC000188726530 200294198 /nfs/dbraw/zinc/29/41/98/200294198.db2.gz XOMTWHQTIVZCGF-GFCCVEGCSA-N 0 0 309.391 0.245 10 30 DCEERN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000163077746 291245904 /nfs/dbraw/zinc/24/59/04/291245904.db2.gz JXSURILYAKGVJP-NSHDSACASA-N 0 0 309.391 0.398 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000274618021 238300787 /nfs/dbraw/zinc/30/07/87/238300787.db2.gz QWTWJOACJPWFFN-AWEZNQCLSA-N 0 0 315.329 0.411 10 30 DCEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cnn(C)c1 ZINC000369796791 239169573 /nfs/dbraw/zinc/16/95/73/239169573.db2.gz ZIHMNTVKPDHEJU-BXUZGUMPSA-N 0 0 302.382 0.863 10 30 DCEERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370965522 239179935 /nfs/dbraw/zinc/17/99/35/239179935.db2.gz AIZKDHTVVDIMEZ-CYBMUJFWSA-N 0 0 315.377 0.418 10 30 DCEERN CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000408329258 239265899 /nfs/dbraw/zinc/26/58/99/239265899.db2.gz IMIHUSHWWFCFOO-OLZOCXBDSA-N 0 0 313.423 0.857 10 30 DCEERN C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CCC#N)C[C@@H](C)O1 ZINC000408456468 239269698 /nfs/dbraw/zinc/26/96/98/239269698.db2.gz ISUZBTYTCANXGS-MGPQQGTHSA-N 0 0 315.439 0.803 10 30 DCEERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@H](C#N)C1 ZINC000408095160 239261733 /nfs/dbraw/zinc/26/17/33/239261733.db2.gz LRNKZRAGWYHFMA-MRVPVSSYSA-N 0 0 315.376 0.069 10 30 DCEERN C=C(C)[C@@H](CC(=O)N[C@H](CO)CN1CCOCC1)OCC ZINC000425290333 240332881 /nfs/dbraw/zinc/33/28/81/240332881.db2.gz GBYKQEUVDXICRJ-UONOGXRCSA-N 0 0 300.399 0.167 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCO)Cc1ccnn1CC ZINC000425855018 240347705 /nfs/dbraw/zinc/34/77/05/240347705.db2.gz LJWJPNBNDMIBHL-ZFWWWQNUSA-N 0 0 322.409 0.998 10 30 DCEERN CCOC(=O)[C@H]1CN(c2nnc(C)c(C)c2C#N)CC12COC2 ZINC000450570825 240635206 /nfs/dbraw/zinc/63/52/06/240635206.db2.gz ZTYXZRWHTQAILQ-CYBMUJFWSA-N 0 0 316.361 0.981 10 30 DCEERN C=C(C)CCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000454910270 240818135 /nfs/dbraw/zinc/81/81/35/240818135.db2.gz RZQGHDNJUUQDRL-NEPJUHHUSA-N 0 0 303.428 0.970 10 30 DCEERN C=CC[C@H](CO)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000273602767 210908135 /nfs/dbraw/zinc/90/81/35/210908135.db2.gz SIMINYDOVIHVER-CYBMUJFWSA-N 0 0 312.391 0.654 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000273421539 210759231 /nfs/dbraw/zinc/75/92/31/210759231.db2.gz MTKRIDHGKRBJOD-LBPRGKRZSA-N 0 0 306.318 0.465 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)OC ZINC000273428113 210766410 /nfs/dbraw/zinc/76/64/10/210766410.db2.gz OEJVCRHRZQQUDD-NSHDSACASA-N 0 0 320.345 0.773 10 30 DCEERN COc1cc(N2CCN(C(=O)N[C@@H]3CCCOC3)CC2)ncn1 ZINC000329615577 532954266 /nfs/dbraw/zinc/95/42/66/532954266.db2.gz PPNDQXNADOXRAX-GFCCVEGCSA-N 0 0 321.381 0.700 10 30 DCEERN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CCO)[C@@H](C)C1 ZINC000187680191 533239453 /nfs/dbraw/zinc/23/94/53/533239453.db2.gz SDQNYYUKBZBYLZ-GJZGRUSLSA-N 0 0 322.453 0.716 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000408114277 533396481 /nfs/dbraw/zinc/39/64/81/533396481.db2.gz DQLYOASMLPSIOC-CMPLNLGQSA-N 0 0 315.395 0.145 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCC(=O)OC)cc2C1=O ZINC000017411931 395690778 /nfs/dbraw/zinc/69/07/78/395690778.db2.gz QANXUUAFBCADGE-UHFFFAOYSA-N 0 0 302.286 0.371 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000042541406 395746379 /nfs/dbraw/zinc/74/63/79/395746379.db2.gz LRDZAPCAJTWGHD-OAHLLOKOSA-N 0 0 324.469 0.457 10 30 DCEERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000118115754 395860408 /nfs/dbraw/zinc/86/04/08/395860408.db2.gz FUMFJUAKIWLLOK-LBPRGKRZSA-N 0 0 320.324 0.083 10 30 DCEERN N#C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000108837966 395793520 /nfs/dbraw/zinc/79/35/20/395793520.db2.gz VJMWSLOODNYPIU-NSHDSACASA-N 0 0 304.350 0.659 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000273354397 395914664 /nfs/dbraw/zinc/91/46/64/395914664.db2.gz CHPZYFSVAYEOJR-CYBMUJFWSA-N 0 0 317.345 0.405 10 30 DCEERN C=CC[C@H](CO)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000273349449 395914884 /nfs/dbraw/zinc/91/48/84/395914884.db2.gz BKBALAZEQQRTRX-LLVKDONJSA-N 0 0 309.366 0.294 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000273486789 395924618 /nfs/dbraw/zinc/92/46/18/395924618.db2.gz 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/nfs/dbraw/zinc/15/43/69/396154369.db2.gz PVZXKFJYBAHAFD-CYBMUJFWSA-N 0 0 316.409 0.773 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NCCS(=O)(=O)NC(C)C ZINC000178648679 396202871 /nfs/dbraw/zinc/20/28/71/396202871.db2.gz IIKQSMVAFZHWHI-UHFFFAOYSA-N 0 0 309.391 0.924 10 30 DCEERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H](C)C#N)C2=O)n(C)n1 ZINC000182694625 396252579 /nfs/dbraw/zinc/25/25/79/396252579.db2.gz GLFQEZDHGUWRRL-JQWIXIFHSA-N 0 0 318.381 0.683 10 30 DCEERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000190674054 396409731 /nfs/dbraw/zinc/40/97/31/396409731.db2.gz XYBJHMJHZDMUDJ-VIFPVBQESA-N 0 0 318.308 0.373 10 30 DCEERN N#CC1CCC(CNC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000514908222 396499303 /nfs/dbraw/zinc/49/93/03/396499303.db2.gz ITIWJFLLDLIDRQ-UHFFFAOYSA-N 0 0 307.398 0.047 10 30 DCEERN Cn1ccc(N2CCC[C@H](NC(=O)c3ccnc(C#N)c3)C2=O)n1 ZINC000193372704 396450344 /nfs/dbraw/zinc/45/03/44/396450344.db2.gz XXUFRDUKJRFJBU-ZDUSSCGKSA-N 0 0 324.344 0.612 10 30 DCEERN C=CCOCCCNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000595163318 396559592 /nfs/dbraw/zinc/55/95/92/396559592.db2.gz JJSGLXQULYBRGQ-UHFFFAOYSA-N 0 0 323.349 0.459 10 30 DCEERN C=CCNC(=O)NC(=O)CN1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000586777147 396665292 /nfs/dbraw/zinc/66/52/92/396665292.db2.gz GFIXPVOYOLNOIF-RKDXNWHRSA-N 0 0 309.288 0.650 10 30 DCEERN CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000586861083 396669513 /nfs/dbraw/zinc/66/95/13/396669513.db2.gz WGIMIJFOFGJJRO-GFCCVEGCSA-N 0 0 305.309 0.561 10 30 DCEERN Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000587988602 396673456 /nfs/dbraw/zinc/67/34/56/396673456.db2.gz SQKMANCGUUFWHE-MFKMUULPSA-N 0 0 311.349 0.996 10 30 DCEERN N#Cc1ccc(NC(=O)CN2CCN3CCOC[C@H]3C2)cc1 ZINC000375235661 396720379 /nfs/dbraw/zinc/72/03/79/396720379.db2.gz BFPDYWDAPRRPEY-OAHLLOKOSA-N 0 0 300.362 0.513 10 30 DCEERN C=C(C)Cn1c(COC)nnc1N1CCO[C@@H](CC(N)=O)C1 ZINC000624968652 396735621 /nfs/dbraw/zinc/73/56/21/396735621.db2.gz COPCPHVSWVCVKQ-NSHDSACASA-N 0 0 309.370 0.081 10 30 DCEERN C=CCn1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)nn1 ZINC000617523296 396746136 /nfs/dbraw/zinc/74/61/36/396746136.db2.gz STLXOLKCOZEOMO-MBNYWOFBSA-N 0 0 308.382 0.760 10 30 DCEERN C=C[C@](C)(O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629433744 396755531 /nfs/dbraw/zinc/75/55/31/396755531.db2.gz SYEQGMWEFAFGDT-ZBFHGGJFSA-N 0 0 305.378 0.336 10 30 DCEERN C=CCCOCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629439666 396760617 /nfs/dbraw/zinc/76/06/17/396760617.db2.gz KMRYRHOMTXDVKL-MRXNPFEDSA-N 0 0 319.405 0.991 10 30 DCEERN C=CCn1cc(CNS(=O)(=O)C[C@@H](OCC)C2CC2)nn1 ZINC000625256362 396819616 /nfs/dbraw/zinc/81/96/16/396819616.db2.gz ADGBUEMJCSZOBI-CYBMUJFWSA-N 0 0 314.411 0.699 10 30 DCEERN CCOCCNC(=O)NC[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000328634307 396826364 /nfs/dbraw/zinc/82/63/64/396826364.db2.gz MOAJJQQHRLWCCT-QWRGUYRKSA-N 0 0 315.349 0.835 10 30 DCEERN CN1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1c1ncc[nH]1 ZINC000328632424 396827358 /nfs/dbraw/zinc/82/73/58/396827358.db2.gz 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/nfs/dbraw/zinc/88/40/52/396884052.db2.gz FGZWRJJXXVKOFN-KBPBESRZSA-N 0 0 307.394 0.727 10 30 DCEERN C=C(C)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O ZINC000600607145 396899748 /nfs/dbraw/zinc/89/97/48/396899748.db2.gz ZWRSJXLMSZPZPQ-UHFFFAOYSA-N 0 0 305.334 0.799 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2CC[C@@H](C(=O)OC)CN2C1=O ZINC000600704285 396923620 /nfs/dbraw/zinc/92/36/20/396923620.db2.gz MVMAKRMROYTSKR-LOWDOPEQSA-N 0 0 322.361 0.793 10 30 DCEERN COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000591663025 396968029 /nfs/dbraw/zinc/96/80/29/396968029.db2.gz JNYJSZVNGBGTJS-MRXNPFEDSA-N 0 0 301.346 0.594 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000611929328 396950615 /nfs/dbraw/zinc/95/06/15/396950615.db2.gz YSWDYLRAVIFQTN-VXGBXAGGSA-N 0 0 309.366 0.109 10 30 DCEERN C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)nn1 ZINC000618331181 396965509 /nfs/dbraw/zinc/96/55/09/396965509.db2.gz WULMAVAYYFLIJT-WDEREUQCSA-N 0 0 312.395 0.550 10 30 DCEERN CN(Cc1ccc(C#N)cc1)C(=O)CN1CCCC[C@H](O)C1=O ZINC000591698512 396981272 /nfs/dbraw/zinc/98/12/72/396981272.db2.gz BNNHUDVHTROXDN-HNNXBMFYSA-N 0 0 315.373 0.890 10 30 DCEERN C=CC[C@H](C)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000625698701 396982736 /nfs/dbraw/zinc/98/27/36/396982736.db2.gz ZIUMGNNCFYTWHG-UBHSHLNASA-N 0 0 320.393 0.789 10 30 DCEERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000601028175 396992420 /nfs/dbraw/zinc/99/24/20/396992420.db2.gz FXUSZKSNUIJIPX-CABCVRRESA-N 0 0 306.410 0.690 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000597563584 397014775 /nfs/dbraw/zinc/01/47/75/397014775.db2.gz MMRLXLRDIUGLHL-HGFQGUBDSA-N 0 0 300.424 0.827 10 30 DCEERN C=CCCCS(=O)(=O)N[C@@H](C(=O)OC)c1ccnn1C ZINC000592097624 397092934 /nfs/dbraw/zinc/09/29/34/397092934.db2.gz ROXWUPQXYLNPKY-LLVKDONJSA-N 0 0 301.368 0.520 10 30 DCEERN C=CCC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000619220336 397099070 /nfs/dbraw/zinc/09/90/70/397099070.db2.gz 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C=C(C)C[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000601783701 397244303 /nfs/dbraw/zinc/24/43/03/397244303.db2.gz XRKKUNZDHUUUIL-NEPJUHHUSA-N 0 0 317.407 0.825 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)OC ZINC000601784081 397244323 /nfs/dbraw/zinc/24/43/23/397244323.db2.gz GQJWXBUTMIFUCP-LLVKDONJSA-N 0 0 306.366 0.859 10 30 DCEERN C=C(C)C[C@H](NC(=O)CN(C)Cc1nnc(C)n1C)C(=O)OC ZINC000601785697 397244524 /nfs/dbraw/zinc/24/45/24/397244524.db2.gz NQVRJWHFGVXNFJ-LBPRGKRZSA-N 0 0 323.397 0.179 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000613522110 397273660 /nfs/dbraw/zinc/27/36/60/397273660.db2.gz UYIOWJGCRYRZDB-UONOGXRCSA-N 0 0 322.409 0.520 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000620636744 397292744 /nfs/dbraw/zinc/29/27/44/397292744.db2.gz VSOWMWLZUXGCME-CYBMUJFWSA-N 0 0 307.350 0.862 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000620636745 397292818 /nfs/dbraw/zinc/29/28/18/397292818.db2.gz 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321.381 0.732 10 30 DCEERN C=CCOCCNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371642300 526778317 /nfs/dbraw/zinc/77/83/17/526778317.db2.gz MVEPNXKIEFWOQP-XHDPSFHLSA-N 0 0 324.381 0.209 10 30 DCEERN C#CCN(CC#CC)C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262946160 526854875 /nfs/dbraw/zinc/85/48/75/526854875.db2.gz AHEBFIHFHWBOFW-UHFFFAOYSA-N 0 0 305.378 0.592 10 30 DCEERN C=C(CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 ZINC000345865088 526866233 /nfs/dbraw/zinc/86/62/33/526866233.db2.gz RXVUJBRFSVTBTR-UHFFFAOYSA-N 0 0 323.356 0.960 10 30 DCEERN C=CCOc1ccccc1C(=O)N1CC(NC(=O)COC)C1 ZINC000185239337 526921914 /nfs/dbraw/zinc/92/19/14/526921914.db2.gz YCXFTCSHGLFUIS-UHFFFAOYSA-N 0 0 304.346 0.838 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000185912934 527098164 /nfs/dbraw/zinc/09/81/64/527098164.db2.gz BKJZTLVXNNNJIY-WDEREUQCSA-N 0 0 300.424 0.987 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000186668478 527102337 /nfs/dbraw/zinc/10/23/37/527102337.db2.gz 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/nfs/dbraw/zinc/44/46/91/527444691.db2.gz PJLMDFPGNGXDDC-OAHLLOKOSA-N 0 0 313.357 0.149 10 30 DCEERN C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000356060145 527551389 /nfs/dbraw/zinc/55/13/89/527551389.db2.gz OTZFVRBIAJSDBU-QGZVFWFLSA-N 0 0 317.389 0.796 10 30 DCEERN C=C[C@](C)(CCOC)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189050264 527615876 /nfs/dbraw/zinc/61/58/76/527615876.db2.gz NFNQTIFIHIROMN-MRXNPFEDSA-N 0 0 312.410 0.923 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408044356 527938583 /nfs/dbraw/zinc/93/85/83/527938583.db2.gz UOBJENAOFDJLOI-ZWUHOBOKSA-N 0 0 321.425 0.527 10 30 DCEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000369194876 528639023 /nfs/dbraw/zinc/63/90/23/528639023.db2.gz RHJQUPGQSFSKPX-AAEUAGOBSA-N 0 0 301.412 0.824 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([C@H](C)O)CC1 ZINC000407955977 528707844 /nfs/dbraw/zinc/70/78/44/528707844.db2.gz KWAOPALQOHYCKS-NEPJUHHUSA-N 0 0 303.428 0.806 10 30 DCEERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371623058 528849696 /nfs/dbraw/zinc/84/96/96/528849696.db2.gz VQHFOOUPNBWPKF-CHWSQXEVSA-N 0 0 307.398 0.412 10 30 DCEERN CC1(C)CN(C(=O)c2ccc(C#N)c(O)c2)CCS1(=O)=O ZINC000188647172 529103553 /nfs/dbraw/zinc/10/35/53/529103553.db2.gz GXZTXNHEPBZBCS-UHFFFAOYSA-N 0 0 308.359 0.913 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)C2CCC2)CC1 ZINC000128036539 545777751 /nfs/dbraw/zinc/77/77/51/545777751.db2.gz YSISOJVACXUAII-CYBMUJFWSA-N 0 0 308.426 0.804 10 30 DCEERN C=CC[C@H](CO)Nc1cc(N[C@@H](CO)CC=C)n2ncnc2n1 ZINC000192767165 545929250 /nfs/dbraw/zinc/92/92/50/545929250.db2.gz AOQVKHSUKGKQJX-VXGBXAGGSA-N 0 0 318.381 0.822 10 30 DCEERN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000329563812 546052376 /nfs/dbraw/zinc/05/23/76/546052376.db2.gz GWNHYMGCAGTZSG-SNVBAGLBSA-N 0 0 318.337 0.794 10 30 DCEERN C[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)N1CCOCC1 ZINC000329762440 546054803 /nfs/dbraw/zinc/05/48/03/546054803.db2.gz SQHWLOAJBNADMN-JTQLQIEISA-N 0 0 312.370 0.834 10 30 DCEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1cnnn1C ZINC000329332361 659168570 /nfs/dbraw/zinc/16/85/70/659168570.db2.gz ZXTLCRGSVUWBSP-LBPRGKRZSA-N 0 0 308.386 0.562 10 30 DCEERN C#CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000104310669 662512156 /nfs/dbraw/zinc/51/21/56/662512156.db2.gz XZIRLVHKVWBSBI-NSHDSACASA-N 0 0 323.418 0.970 10 30 DCEERN C#CCCOC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000052746326 662738234 /nfs/dbraw/zinc/73/82/34/662738234.db2.gz UPQLKJADZTVXIM-JTQLQIEISA-N 0 0 306.343 0.680 10 30 DCEERN CN1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000908361179 663752222 /nfs/dbraw/zinc/75/22/22/663752222.db2.gz JJNPNCYOUTXZOS-ILXRZTDVSA-N 0 0 313.357 0.609 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000172650450 664623751 /nfs/dbraw/zinc/62/37/51/664623751.db2.gz ZDTQVKIEAJGPIJ-TZMCWYRMSA-N 0 0 313.357 0.767 10 30 DCEERN C#CCN1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000730275194 664674033 /nfs/dbraw/zinc/67/40/33/664674033.db2.gz YCFPRBQGYJQNCU-INIZCTEOSA-N 0 0 317.433 0.945 10 30 DCEERN C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CSCN1C(=O)CC ZINC000730317104 664685945 /nfs/dbraw/zinc/68/59/45/664685945.db2.gz LLKHKDNRSARFMT-VHSXEESVSA-N 0 0 300.380 0.532 10 30 DCEERN CC(=O)N1CSC[C@H]1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000731625477 664873969 /nfs/dbraw/zinc/87/39/69/664873969.db2.gz YYLFJFSXLPKVMU-KBPBESRZSA-N 0 0 324.450 0.600 10 30 DCEERN C[C@@H](CN1CCOCC1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000731905191 664889648 /nfs/dbraw/zinc/88/96/48/664889648.db2.gz WGKWEKZLECIKTC-NSHDSACASA-N 0 0 324.406 0.338 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)ccc1N1CCC2(CC1)OCCO2 ZINC000731904592 664889785 /nfs/dbraw/zinc/88/97/85/664889785.db2.gz LZEIADVNAKPUTP-UHFFFAOYSA-N 0 0 323.374 0.549 10 30 DCEERN Cn1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1[N+](=O)[O-] ZINC000732650783 664950237 /nfs/dbraw/zinc/95/02/37/664950237.db2.gz GOJDMGDEGBTDTB-LLVKDONJSA-N 0 0 303.322 0.746 10 30 DCEERN Cn1cc(/C=C/C(=O)O[C@@H](C#N)C(C)(C)C)c(=O)n(C)c1=O ZINC000154449103 665138207 /nfs/dbraw/zinc/13/82/07/665138207.db2.gz WBBUGYBMDQRBPA-MLRMMBSGSA-N 0 0 305.334 0.579 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)OCC(C)(C)CC#N)c2=O ZINC000184796029 666280870 /nfs/dbraw/zinc/28/08/70/666280870.db2.gz ZBZWQEKRSXOBNX-UHFFFAOYSA-N 0 0 303.322 0.613 10 30 DCEERN C#CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000734495478 666882678 /nfs/dbraw/zinc/88/26/78/666882678.db2.gz ITVYVNYDAZUVLB-UHFFFAOYSA-N 0 0 310.375 0.699 10 30 DCEERN N#C[C@H]1CN(C(=O)CCCn2ccccc2=O)CCN1C1CC1 ZINC000735012799 666935237 /nfs/dbraw/zinc/93/52/37/666935237.db2.gz IPVLTSVDGNJJMO-HNNXBMFYSA-N 0 0 314.389 0.827 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ncncc2C#N)C1 ZINC000702854118 667010546 /nfs/dbraw/zinc/01/05/46/667010546.db2.gz ZADAGFDRZJJDHR-NEPJUHHUSA-N 0 0 319.365 0.410 10 30 DCEERN C[C@H]1CN(CCNc2ccc(S(N)(=O)=O)cc2C#N)CCO1 ZINC000742398802 667790531 /nfs/dbraw/zinc/79/05/31/667790531.db2.gz AZZGUDHSZKDHQQ-NSHDSACASA-N 0 0 324.406 0.338 10 30 DCEERN C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(C)(C)C#N ZINC000131735830 669679817 /nfs/dbraw/zinc/67/98/17/669679817.db2.gz BHRXPAUHLRKSQE-FGEFZZPRSA-N 0 0 305.334 0.579 10 30 DCEERN N#Cc1cc(F)ccc1CN1CC[C@](O)(Cn2ccnn2)C1 ZINC000794324147 669822034 /nfs/dbraw/zinc/82/20/34/669822034.db2.gz XVZDMUYGZYJOSD-OAHLLOKOSA-N 0 0 301.325 0.926 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1ccc(Br)s1 ZINC000718201988 685304813 /nfs/dbraw/zinc/30/48/13/685304813.db2.gz QQTFQACVQZPAPJ-ZCFIWIBFSA-N 0 0 310.194 0.783 10 30 DCEERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719976108 685311470 /nfs/dbraw/zinc/31/14/70/685311470.db2.gz QXGVWYKWGJEEOE-DCXZOGHSSA-N 0 0 304.368 0.743 10 30 DCEERN C=CCn1c(=O)n(CC=C)c(=O)n(CC2(O)CCCCC2)c1=O ZINC000065510766 685064583 /nfs/dbraw/zinc/06/45/83/685064583.db2.gz HGHCVKQFEOGSJK-UHFFFAOYSA-N 0 0 321.377 0.239 10 30 DCEERN C=CCN(C(=O)Cc1cccc(OC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000338812240 1158839444 /nfs/dbraw/zinc/83/94/44/1158839444.db2.gz MQGIJDUJFPIVGU-CYBMUJFWSA-N 0 0 324.402 0.834 10 30 DCEERN CS(=O)(=O)N1CC[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000407237988 1190348681 /nfs/dbraw/zinc/34/86/81/1190348681.db2.gz VXYASJXDYOYKQW-ZETCQYMHSA-N 0 0 316.364 0.974 10 30 DCEERN C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000320094076 1190436925 /nfs/dbraw/zinc/43/69/25/1190436925.db2.gz DKMBEPXMBBTIHM-CYBMUJFWSA-N 0 0 318.439 0.491 10 30 DCEERN C=CCC[C@@H](CO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000321086361 775510593 /nfs/dbraw/zinc/51/05/93/775510593.db2.gz JCKLGKNEJWWQOS-WDEREUQCSA-N 0 0 307.437 0.350 10 30 DCEERN N#Cc1cc(Br)ccc1N1CC[C@@](O)(C(N)=O)C1 ZINC000278832672 214430942 /nfs/dbraw/zinc/43/09/42/214430942.db2.gz VDHKDZVDOKQEKP-LBPRGKRZSA-N 0 0 310.151 0.747 10 30 DCEERN CCc1n[nH]c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1[N+](=O)[O-] ZINC000369220967 529466639 /nfs/dbraw/zinc/46/66/39/529466639.db2.gz MVXHSIFFQNEJRS-SNVBAGLBSA-N 0 0 318.337 0.693 10 30 DCEERN C[C@@H](C#N)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000070139880 295695257 /nfs/dbraw/zinc/69/52/57/295695257.db2.gz ORRWNMKCODEHPD-ZDUSSCGKSA-N 0 0 300.428 0.637 10 30 DCEERN CNC(=O)[C@@H](C)CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156820110 529894560 /nfs/dbraw/zinc/89/45/60/529894560.db2.gz RRHWHYACJIDFBO-LBPRGKRZSA-N 0 0 323.418 0.646 10 30 DCEERN C=CCn1nnnc1S[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000172919599 198166932 /nfs/dbraw/zinc/16/69/32/198166932.db2.gz PQROZASGBSLDJI-JTQLQIEISA-N 0 0 319.394 0.799 10 30 DCEERN CN1CCO[C@H]2CCN(C(=O)c3ccc(C#N)c(O)c3)C[C@H]21 ZINC000408032109 283027427 /nfs/dbraw/zinc/02/74/27/283027427.db2.gz ZWUOAEHOVXGKAJ-HIFRSBDPSA-N 0 0 301.346 0.809 10 30 DCEERN CN(C)[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1[N+](=O)[O-] ZINC000005674843 181270835 /nfs/dbraw/zinc/27/08/35/181270835.db2.gz MZNRFMNCRGXLDY-NWRRNXEVSA-N 0 0 311.363 0.741 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000173159964 237154768 /nfs/dbraw/zinc/15/47/68/237154768.db2.gz VTODTCQWHWSJEO-VXGBXAGGSA-N 0 0 300.384 0.470 10 30 DCEERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCO[C@H](C#N)C1 ZINC000179764054 237254343 /nfs/dbraw/zinc/25/43/43/237254343.db2.gz OBHBCKWHXNJEPQ-CYBMUJFWSA-N 0 0 305.382 0.904 10 30 DCEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CCO)[C@@H](C)C1 ZINC000187651566 200140185 /nfs/dbraw/zinc/14/01/85/200140185.db2.gz WYWUWWXQPTYVQT-KBPBESRZSA-N 0 0 316.405 0.884 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCO[C@H](C2CC2)C1 ZINC000329514893 238629737 /nfs/dbraw/zinc/62/97/37/238629737.db2.gz YGYPOMOVZDFSQB-XQQFMLRXSA-N 0 0 307.354 0.243 10 30 DCEERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000329600114 238639144 /nfs/dbraw/zinc/63/91/44/238639144.db2.gz PXZGVMUWBOBIPI-GZMMTYOYSA-N 0 0 315.395 0.805 10 30 DCEERN C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N(C)C ZINC000362386379 239101386 /nfs/dbraw/zinc/10/13/86/239101386.db2.gz DQVWSLZZMDNNOQ-BMIGLBTASA-N 0 0 311.382 0.841 10 30 DCEERN N#C[C@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)CCN1C1CC1 ZINC000363565875 239110522 /nfs/dbraw/zinc/11/05/22/239110522.db2.gz 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/nfs/dbraw/zinc/26/35/46/240263546.db2.gz ZTZAFKJEWKPBLJ-UHFFFAOYSA-N 0 0 322.365 0.384 10 30 DCEERN CC(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000015544440 182006214 /nfs/dbraw/zinc/00/62/14/182006214.db2.gz ZODKKAHPXZHXDD-UHFFFAOYSA-N 0 0 321.402 0.844 10 30 DCEERN N#CCNC(=O)CN1C(=O)C(=O)c2ccc(Br)cc21 ZINC000019967178 182171006 /nfs/dbraw/zinc/17/10/06/182171006.db2.gz JVWDJMAFMRXWPK-UHFFFAOYSA-N 0 0 322.118 0.618 10 30 DCEERN CC[C@@H](C)NC(=O)CN1CCN(c2cnc(C#N)cn2)CC1 ZINC000106464172 194218905 /nfs/dbraw/zinc/21/89/05/194218905.db2.gz LVPLYUDMMGNAFM-GFCCVEGCSA-N 0 0 302.382 0.385 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000273536076 210848875 /nfs/dbraw/zinc/84/88/75/210848875.db2.gz XKNDWNFKSOAWIC-SECBINFHSA-N 0 0 318.420 0.665 10 30 DCEERN CC(C)N(C)C(=O)CN1CCN(c2ncccc2C#N)CC1 ZINC000119993161 195076563 /nfs/dbraw/zinc/07/65/63/195076563.db2.gz LLUPOMPWHKGLRA-UHFFFAOYSA-N 0 0 301.394 0.942 10 30 DCEERN COc1cc(C#N)ccc1OCCN1C[C@H](F)C[C@@H]1C(N)=O ZINC000346058838 254003919 /nfs/dbraw/zinc/00/39/19/254003919.db2.gz IUOMWBWEKYNCIK-VXGBXAGGSA-N 0 0 307.325 0.843 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000372580558 533141183 /nfs/dbraw/zinc/14/11/83/533141183.db2.gz CEPWOVRPONBKSK-QWHCGFSZSA-N 0 0 300.428 0.493 10 30 DCEERN COc1c2cnn(C)c2ncc1C(=O)N1CCO[C@H](C#N)C1 ZINC000408186036 533452394 /nfs/dbraw/zinc/45/23/94/533452394.db2.gz OZTPMOVJHWQHKX-SECBINFHSA-N 0 0 301.306 0.341 10 30 DCEERN C[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1C(=O)N1CCOCC1 ZINC000284480723 131084686 /nfs/dbraw/zinc/08/46/86/131084686.db2.gz BTQRWOYJWGAJOA-TZMCWYRMSA-N 0 0 300.362 0.884 10 30 DCEERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000284528165 131089654 /nfs/dbraw/zinc/08/96/54/131089654.db2.gz GJVCKBCMZGJRAN-LSDHHAIUSA-N 0 0 303.362 0.256 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)NCCCCC)CC1 ZINC000042541463 395746560 /nfs/dbraw/zinc/74/65/60/395746560.db2.gz LMXAKRLMLWCGST-OAHLLOKOSA-N 0 0 324.469 0.601 10 30 DCEERN 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323.305 0.595 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000273451592 395922363 /nfs/dbraw/zinc/92/23/63/395922363.db2.gz GBBYBINWPGWZNI-RNJOBUHISA-N 0 0 308.378 0.603 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000273467779 395923229 /nfs/dbraw/zinc/92/32/29/395923229.db2.gz XDHOVHPMXJGXTR-JTQLQIEISA-N 0 0 306.318 0.450 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCNCC(F)(F)CO)c1 ZINC000228756205 395872533 /nfs/dbraw/zinc/87/25/33/395872533.db2.gz YJGUZKDSUZWTJO-UHFFFAOYSA-N 0 0 304.318 0.549 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(N)=O)cc2C1=O ZINC000053327793 395880410 /nfs/dbraw/zinc/88/04/10/395880410.db2.gz KOSOUBKYSBQENT-MRVPVSSYSA-N 0 0 301.302 0.072 10 30 DCEERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000134702413 395933855 /nfs/dbraw/zinc/93/38/55/395933855.db2.gz IECWNGMJUMZUNF-ZDUSSCGKSA-N 0 0 309.391 0.557 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)N(CCC)CCC)CC1 ZINC000057976105 395950218 /nfs/dbraw/zinc/95/02/18/395950218.db2.gz 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C=CCN(C)c1nnc(-c2cn(C)nn2)n1C[C@H]1CCCO1 ZINC000611895045 396945294 /nfs/dbraw/zinc/94/52/94/396945294.db2.gz VYFQZCHRLPJTDW-LLVKDONJSA-N 0 0 303.370 0.875 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C ZINC000625609411 396948153 /nfs/dbraw/zinc/94/81/53/396948153.db2.gz BJZAPEFMSXTKPD-NSHDSACASA-N 0 0 305.382 0.900 10 30 DCEERN COC[C@@]1(C(N)=O)CCCN1C(=O)c1cccc(CC#N)c1 ZINC000591664707 396969387 /nfs/dbraw/zinc/96/93/87/396969387.db2.gz GENCVDWFRFVCHJ-MRXNPFEDSA-N 0 0 301.346 0.859 10 30 DCEERN C=CCOCCCNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000618520445 396987626 /nfs/dbraw/zinc/98/76/26/396987626.db2.gz DZJCPWGFNZQVLS-ZDUSSCGKSA-N 0 0 308.382 0.611 10 30 DCEERN C=CCOCCCNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000618524878 396988944 /nfs/dbraw/zinc/98/89/44/396988944.db2.gz UDALLGVXDKXBCK-LLVKDONJSA-N 0 0 310.316 0.958 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601101115 397004163 /nfs/dbraw/zinc/00/41/63/397004163.db2.gz MLJHBROBRAGXIG-UHFFFAOYSA-N 0 0 323.328 0.553 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1ccnc2c1CC(=O)N2)C(=O)OC ZINC000597606352 397030109 /nfs/dbraw/zinc/03/01/09/397030109.db2.gz HSWZSNPCJPNMIT-LLVKDONJSA-N 0 0 319.317 0.050 10 30 DCEERN C=CCOC[C@@H](NC(=O)CC1CCN(OC)CC1)C(=O)OC ZINC000597607563 397030436 /nfs/dbraw/zinc/03/04/36/397030436.db2.gz XAAWQSOCFVCJPY-CYBMUJFWSA-N 0 0 314.382 0.510 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nnc(C)n2CC2CC2)CC1 ZINC000612561030 397095809 /nfs/dbraw/zinc/09/58/09/397095809.db2.gz GEQIHYNSJLUOOF-UHFFFAOYSA-N 0 0 318.425 0.421 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000619222111 397100350 /nfs/dbraw/zinc/10/03/50/397100350.db2.gz CBMRSBKWSJYXCX-RVMXOQNASA-N 0 0 301.408 0.859 10 30 DCEERN C=CCOC[C@@H](NS(=O)(=O)C1(C(C)C)CC1)C(=O)OC ZINC000601407695 397105161 /nfs/dbraw/zinc/10/51/61/397105161.db2.gz BICLGUHPWTZOCF-LLVKDONJSA-N 0 0 305.396 0.839 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000612729411 397129101 /nfs/dbraw/zinc/12/91/01/397129101.db2.gz ZZESZOPGEPSIEQ-VIFPVBQESA-N 0 0 309.322 0.101 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCc3nc(COC)nn3C2)C1=O ZINC000630976428 397150346 /nfs/dbraw/zinc/15/03/46/397150346.db2.gz DASJUSUJIFDXIC-MNOVXSKESA-N 0 0 319.365 0.626 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)OC ZINC000601502298 397154983 /nfs/dbraw/zinc/15/49/83/397154983.db2.gz VBYBWJRNZCJSJP-JTQLQIEISA-N 0 0 321.395 0.613 10 30 DCEERN CCOc1cccc(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)n1 ZINC000619597014 397155575 /nfs/dbraw/zinc/15/55/75/397155575.db2.gz QCKYOYLIHACYDS-LLVKDONJSA-N 0 0 314.349 0.863 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)OC ZINC000601502946 397155812 /nfs/dbraw/zinc/15/58/12/397155812.db2.gz ZLIXGEWOKYEIHJ-RYUDHWBXSA-N 0 0 305.396 0.840 10 30 DCEERN C[C@H](C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)n1cnc(C#N)n1 ZINC000619600102 397156293 /nfs/dbraw/zinc/15/62/93/397156293.db2.gz HDIVQRRYZRFSTR-GYSYKLTISA-N 0 0 305.338 0.117 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1=O ZINC000619607737 397158279 /nfs/dbraw/zinc/15/82/79/397158279.db2.gz YMOHHJZDWMYXGV-LBPRGKRZSA-N 0 0 304.306 0.849 10 30 DCEERN C=CCNC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592192145 397118031 /nfs/dbraw/zinc/11/80/31/397118031.db2.gz MTYJNDPGOWUNBZ-CYBMUJFWSA-N 0 0 308.382 0.695 10 30 DCEERN C=C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OC ZINC000592445416 397180934 /nfs/dbraw/zinc/18/09/34/397180934.db2.gz NQTSJIHGICCEAQ-QWRGUYRKSA-N 0 0 311.359 0.539 10 30 DCEERN C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CCN1S(C)(=O)=O ZINC000598214568 397189816 /nfs/dbraw/zinc/18/98/16/397189816.db2.gz AXRMUWAOYAHKQU-SECBINFHSA-N 0 0 313.404 0.726 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)OC)nn1 ZINC000601724806 397220813 /nfs/dbraw/zinc/22/08/13/397220813.db2.gz HHXIJXITYQLBSO-YGRLFVJLSA-N 0 0 308.338 0.257 10 30 DCEERN C=CCn1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1 ZINC000592619193 397225234 /nfs/dbraw/zinc/22/52/34/397225234.db2.gz QDPGRGLZAOYTEL-UHFFFAOYSA-N 0 0 323.360 0.693 10 30 DCEERN CC#CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000613321880 397242603 /nfs/dbraw/zinc/24/26/03/397242603.db2.gz YBMKWIOLOKSNNA-LSDHHAIUSA-N 0 0 301.346 0.510 10 30 DCEERN C=C(C)C[C@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)OC ZINC000601780687 397242656 /nfs/dbraw/zinc/24/26/56/397242656.db2.gz ZYZNQTWOVVTHOI-NSHDSACASA-N 0 0 310.350 0.540 10 30 DCEERN C=CCCn1cc(C(=O)N2CCO[C@](C)(C(=O)OCC)C2)nn1 ZINC000601901847 397265570 /nfs/dbraw/zinc/26/55/70/397265570.db2.gz NVFWHPGWFHRVME-HNNXBMFYSA-N 0 0 322.365 0.648 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000613529802 397274735 /nfs/dbraw/zinc/27/47/35/397274735.db2.gz IFTRFFYOFAGMIZ-QWHCGFSZSA-N 0 0 316.423 0.493 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C(F)F)CC1 ZINC000601973935 397278950 /nfs/dbraw/zinc/27/89/50/397278950.db2.gz FLDYGICBLVWNFB-VHSXEESVSA-N 0 0 305.325 0.743 10 30 DCEERN C=CCOC[C@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)OC ZINC000592797357 397254124 /nfs/dbraw/zinc/25/41/24/397254124.db2.gz SWAYPRMHMQEJNA-LBPRGKRZSA-N 0 0 308.338 0.477 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC000613414149 397256321 /nfs/dbraw/zinc/25/63/21/397256321.db2.gz RSOPFABOSGAGSG-VXGBXAGGSA-N 0 0 308.338 0.440 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1=O ZINC000626849291 397260243 /nfs/dbraw/zinc/26/02/43/397260243.db2.gz SMJXEQOUMQCYFU-KBPBESRZSA-N 0 0 316.405 0.999 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)C#N ZINC000599141625 397347593 /nfs/dbraw/zinc/34/75/93/397347593.db2.gz JCVACPXJJPSICK-JTQLQIEISA-N 0 0 310.398 0.414 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCO[C@](C)(COC)C1 ZINC000602237751 397349772 /nfs/dbraw/zinc/34/97/72/397349772.db2.gz BGFJSZJRZGIXRV-AWEZNQCLSA-N 0 0 316.423 0.286 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C)[C@H](C)[C@H]2C)cc1C#N ZINC000408361072 397355104 /nfs/dbraw/zinc/35/51/04/397355104.db2.gz CDNJAZXUJZYDJN-VXGBXAGGSA-N 0 0 308.407 0.975 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602330455 397374229 /nfs/dbraw/zinc/37/42/29/397374229.db2.gz UPZKAXDGGRYFBL-VOAKCMCISA-N 0 0 312.366 0.549 10 30 DCEERN C=CCC[C@H](NC(=O)C1=CCS(=O)(=O)C1)C(=O)OCC ZINC000602161246 397328469 /nfs/dbraw/zinc/32/84/69/397328469.db2.gz RUWUBKZMECDKNZ-NSHDSACASA-N 0 0 301.364 0.355 10 30 DCEERN C=CCOC[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC ZINC000578388928 397430271 /nfs/dbraw/zinc/43/02/71/397430271.db2.gz IZDDWQGYHWZCMP-AWEZNQCLSA-N 0 0 302.330 0.961 10 30 DCEERN C=CCC1(C(=O)NCCCNS(=O)(=O)CC)CCOCC1 ZINC000424629215 397400836 /nfs/dbraw/zinc/40/08/36/397400836.db2.gz NTDQKPZKMPAJPU-UHFFFAOYSA-N 0 0 318.439 0.805 10 30 DCEERN C=CCCn1cc(C(=O)N[C@]2(C(=O)OC)CCSC2)nn1 ZINC000424758028 397402254 /nfs/dbraw/zinc/40/22/54/397402254.db2.gz UTHKCKAZHCGMFP-CYBMUJFWSA-N 0 0 310.379 0.633 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)COc1ccccc1 ZINC000424900310 397403054 /nfs/dbraw/zinc/40/30/54/397403054.db2.gz FAWMGOYCJDTBQG-ZFWWWQNUSA-N 0 0 318.373 0.889 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](COCC)C(C)C ZINC000425887804 397407763 /nfs/dbraw/zinc/40/77/63/397407763.db2.gz BQENRTDIKIOJDV-IHRRRGAJSA-N 0 0 312.410 0.871 10 30 DCEERN CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000594485049 397560917 /nfs/dbraw/zinc/56/09/17/397560917.db2.gz PIUFQSKUNVIMQB-GFCCVEGCSA-N 0 0 302.327 0.373 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C#N)cn1 ZINC000579424702 397564657 /nfs/dbraw/zinc/56/46/57/397564657.db2.gz QVWLDLYKDLEUTL-NXEZZACHSA-N 0 0 318.333 0.139 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)C#N ZINC000599743856 397518583 /nfs/dbraw/zinc/51/85/83/397518583.db2.gz FRMWBOBQVPQDMG-UHFFFAOYSA-N 0 0 310.398 0.462 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000081603938 158085573 /nfs/dbraw/zinc/08/55/73/158085573.db2.gz JKMMLUMUDFGWAA-UHFFFAOYSA-N 0 0 310.379 0.004 10 30 DCEERN CC(C)[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)N1CCOCC1 ZINC000084216174 158089200 /nfs/dbraw/zinc/08/92/00/158089200.db2.gz AQTQSLIATPRAHC-CQSZACIVSA-N 0 0 318.377 0.510 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000116888634 158167402 /nfs/dbraw/zinc/16/74/02/158167402.db2.gz UOIAPKCKSDJVDQ-ZDUSSCGKSA-N 0 0 322.390 0.120 10 30 DCEERN N#Cc1ccc(OCCNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000120304722 158196886 /nfs/dbraw/zinc/19/68/86/158196886.db2.gz YKQRGSWALHWZQQ-UHFFFAOYSA-N 0 0 301.262 0.998 10 30 DCEERN C[C@H](CCNS(=O)(=O)c1cccc(C#N)c1)[S@@](C)=O ZINC000124037027 158237292 /nfs/dbraw/zinc/23/72/92/158237292.db2.gz IUEOCCMDSPRHCH-MGNBDDOMSA-N 0 0 300.405 0.994 10 30 DCEERN N#Cc1cnc(NCCNc2nnnn2-c2ccccc2)cn1 ZINC000127004066 158270199 /nfs/dbraw/zinc/27/01/99/158270199.db2.gz IQVIJDFFDQHSNC-UHFFFAOYSA-N 0 0 307.321 0.848 10 30 DCEERN COCCC(=O)N1CCC(NC(=O)c2cc(C#N)cn2C)CC1 ZINC000134405417 158326855 /nfs/dbraw/zinc/32/68/55/158326855.db2.gz HRLWMJALUZVRDS-UHFFFAOYSA-N 0 0 318.377 0.654 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CN(C)CCO1 ZINC000171287861 158381855 /nfs/dbraw/zinc/38/18/55/158381855.db2.gz BOPUZLWOIZLGAB-OCCSQVGLSA-N 0 0 303.362 0.772 10 30 DCEERN CCN1C[C@@H](C(=O)NCCOc2ccc(C#N)cc2)CC1=O ZINC000173889509 158412334 /nfs/dbraw/zinc/41/23/34/158412334.db2.gz AVZFZIFFVCNZHY-ZDUSSCGKSA-N 0 0 301.346 0.922 10 30 DCEERN COc1ccc(CNC(=O)Cn2c(N)nc(C#N)c2C#N)cc1 ZINC000193062845 158580351 /nfs/dbraw/zinc/58/03/51/158580351.db2.gz BFDDSLAVVDQIBH-UHFFFAOYSA-N 0 0 310.317 0.534 10 30 DCEERN N#Cc1ncc(OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000330186004 159148996 /nfs/dbraw/zinc/14/89/96/159148996.db2.gz RRZXYELNSYFKIJ-QWHCGFSZSA-N 0 0 302.334 0.897 10 30 DCEERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1 ZINC000091414286 286935970 /nfs/dbraw/zinc/93/59/70/286935970.db2.gz LEZHAGYERFFKPA-UHFFFAOYSA-N 0 0 314.345 0.400 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000329375228 287087540 /nfs/dbraw/zinc/08/75/40/287087540.db2.gz KSOAQSIFSCGXQK-OLZOCXBDSA-N 0 0 324.425 0.940 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000249441296 287110969 /nfs/dbraw/zinc/11/09/69/287110969.db2.gz FNGKLYYOQSOTJB-SUNKGSAMSA-N 0 0 301.346 0.966 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000249627459 287116564 /nfs/dbraw/zinc/11/65/64/287116564.db2.gz UJFOSTHDIBSIBS-YUTCNCBUSA-N 0 0 304.346 0.527 10 30 DCEERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000170885891 287186579 /nfs/dbraw/zinc/18/65/79/287186579.db2.gz IPVGZHGIBUAKNV-MRVPVSSYSA-N 0 0 313.766 0.721 10 30 DCEERN C=CCCCNC(=O)C(=O)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000342476447 415184002 /nfs/dbraw/zinc/18/40/02/415184002.db2.gz HXQREOSOQKLLHY-CJNGLKHVSA-N 0 0 310.394 0.865 10 30 DCEERN CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(C#N)c2)C1=O ZINC000102856179 415603663 /nfs/dbraw/zinc/60/36/63/415603663.db2.gz HRWMWDSQWZLMKU-UHFFFAOYSA-N 0 0 304.281 0.966 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000353821547 415670853 /nfs/dbraw/zinc/67/08/53/415670853.db2.gz CPYMQHAXVKYEMD-UHFFFAOYSA-N 0 0 313.361 0.013 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000287998408 415674055 /nfs/dbraw/zinc/67/40/55/415674055.db2.gz BHXNOWUGTOSJEN-LSDHHAIUSA-N 0 0 315.373 0.517 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nc(C)ccc2O)CC1 ZINC000122216430 415829603 /nfs/dbraw/zinc/82/96/03/415829603.db2.gz JZOGYPGBZPEKFN-UHFFFAOYSA-N 0 0 304.394 0.515 10 30 DCEERN C=CCCOCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000122430648 415833640 /nfs/dbraw/zinc/83/36/40/415833640.db2.gz NQFSRDZRVYDDOX-LSDHHAIUSA-N 0 0 311.426 0.941 10 30 DCEERN N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000121776223 415817302 /nfs/dbraw/zinc/81/73/02/415817302.db2.gz NRYQVZHWXQCVBU-ZDUSSCGKSA-N 0 0 315.381 0.988 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]2COC)c1 ZINC000293806020 415866415 /nfs/dbraw/zinc/86/64/15/415866415.db2.gz UKGLTDCXLWGWRP-CYBMUJFWSA-N 0 0 302.330 0.884 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000344224536 415870169 /nfs/dbraw/zinc/87/01/69/415870169.db2.gz QRNFXPBJOANNRI-MRVPVSSYSA-N 0 0 304.393 0.371 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000294543901 415872291 /nfs/dbraw/zinc/87/22/91/415872291.db2.gz MSUGKEPDYMNRQV-LLVKDONJSA-N 0 0 301.350 0.414 10 30 DCEERN Cc1csc(N2CCN(S(=O)(=O)CCC#N)CC2)n1 ZINC000295219092 415887841 /nfs/dbraw/zinc/88/78/41/415887841.db2.gz QTENEOFMMAJCIP-UHFFFAOYSA-N 0 0 300.409 0.817 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC000337083470 415904706 /nfs/dbraw/zinc/90/47/06/415904706.db2.gz YDBTUBRQNZLRMW-CHWSQXEVSA-N 0 0 318.439 0.634 10 30 DCEERN C=CCN(Cc1cnc(OC)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000337149505 415916477 /nfs/dbraw/zinc/91/64/77/415916477.db2.gz HZBIZYZTOPYLKK-CYBMUJFWSA-N 0 0 311.407 0.969 10 30 DCEERN C#CCCN1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000299316764 416061199 /nfs/dbraw/zinc/06/11/99/416061199.db2.gz FCJVPNYWXRTXAK-UHFFFAOYSA-N 0 0 321.402 0.115 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000298831054 416032861 /nfs/dbraw/zinc/03/28/61/416032861.db2.gz VREBXVANDPPUJF-QWHCGFSZSA-N 0 0 307.394 0.681 10 30 DCEERN N#Cc1c[nH]c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000175078324 416096221 /nfs/dbraw/zinc/09/62/21/416096221.db2.gz FMNYYMLCSYBBDJ-UHFFFAOYSA-N 0 0 316.361 0.597 10 30 DCEERN O=C(NCc1nccn1CC(F)(F)F)NC[C@@H]1COCCO1 ZINC000328897803 416137963 /nfs/dbraw/zinc/13/79/63/416137963.db2.gz WJXKQOCSFIKXHT-SECBINFHSA-N 0 0 322.287 0.864 10 30 DCEERN Cc1cc(=O)n(C)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328965440 416140531 /nfs/dbraw/zinc/14/05/31/416140531.db2.gz MIRCWPDNWWRVKO-KBPBESRZSA-N 0 0 320.393 0.644 10 30 DCEERN COCc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)ncn1 ZINC000328941932 416141072 /nfs/dbraw/zinc/14/10/72/416141072.db2.gz FLHRSJHXDVJOFA-QWHCGFSZSA-N 0 0 321.381 0.573 10 30 DCEERN CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329342344 416166049 /nfs/dbraw/zinc/16/60/49/416166049.db2.gz PNNFGVDADIXMAP-SRVKXCTJSA-N 0 0 321.356 0.971 10 30 DCEERN COCC1(C)CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329431752 416169383 /nfs/dbraw/zinc/16/93/83/416169383.db2.gz HZJGVSLYDNHSRD-QWHCGFSZSA-N 0 0 323.397 0.881 10 30 DCEERN C=CCN(C(=O)COCCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000339926518 416169460 /nfs/dbraw/zinc/16/94/60/416169460.db2.gz PFUFBPYERWOITD-LBPRGKRZSA-N 0 0 305.396 0.241 10 30 DCEERN CCc1nc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)no1 ZINC000329665936 416183848 /nfs/dbraw/zinc/18/38/48/416183848.db2.gz KTCFJSGEXGMPEF-VIFPVBQESA-N 0 0 316.383 0.207 10 30 DCEERN O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCN(C2CC2)CC1 ZINC000329705712 416186275 /nfs/dbraw/zinc/18/62/75/416186275.db2.gz KNFLXCANQXTPHN-LBPRGKRZSA-N 0 0 315.439 0.505 10 30 DCEERN C=CCOc1ccc(CNC(=O)C(=O)Nc2cn(C)nn2)cc1 ZINC000340462314 416188992 /nfs/dbraw/zinc/18/89/92/416188992.db2.gz FSCNWJQKKZDZAN-UHFFFAOYSA-N 0 0 315.333 0.635 10 30 DCEERN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)o1 ZINC000330638616 416219700 /nfs/dbraw/zinc/21/97/00/416219700.db2.gz BEFFYUMFOXYLED-NSHDSACASA-N 0 0 319.404 0.952 10 30 DCEERN C=CCNC(=O)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000347905317 416228435 /nfs/dbraw/zinc/22/84/35/416228435.db2.gz VIJXIBAHCFPNOZ-UHFFFAOYSA-N 0 0 320.740 0.348 10 30 DCEERN C=CCNC(=O)c1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 ZINC000348888997 416247743 /nfs/dbraw/zinc/24/77/43/416247743.db2.gz FDXPKXXKWAKLBD-UHFFFAOYSA-N 0 0 316.317 0.093 10 30 DCEERN COc1cc(C#N)ccc1S(=O)(=O)NCc1noc(C)n1 ZINC000185765281 416254719 /nfs/dbraw/zinc/25/47/19/416254719.db2.gz ODXQYVOISMFHGZ-UHFFFAOYSA-N 0 0 308.319 0.737 10 30 DCEERN Cc1ncc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)cc1C#N ZINC000331109967 416266946 /nfs/dbraw/zinc/26/69/46/416266946.db2.gz BFPPLVFKRWFDTA-AYLIAGHASA-N 0 0 315.420 0.649 10 30 DCEERN CN1CCCN(C(=O)Cc2cccc(OCC#N)c2)CC1=O ZINC000189753570 416270615 /nfs/dbraw/zinc/27/06/15/416270615.db2.gz CTVNQPIIDMMRQI-UHFFFAOYSA-N 0 0 301.346 0.822 10 30 DCEERN N#Cc1cccc(NC(=O)CS(=O)(=O)Cc2ncccn2)c1 ZINC000358704161 416271612 /nfs/dbraw/zinc/27/16/12/416271612.db2.gz CWWJLDVFIIBMCN-UHFFFAOYSA-N 0 0 316.342 0.902 10 30 DCEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000331246107 416293387 /nfs/dbraw/zinc/29/33/87/416293387.db2.gz MDFFWQQYUIOYPO-WCQYABFASA-N 0 0 304.412 0.365 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000331250968 416295949 /nfs/dbraw/zinc/29/59/49/416295949.db2.gz OUQXNDKWHLJHMS-AGIUHOORSA-N 0 0 312.366 0.755 10 30 DCEERN C[C@](C#N)(NC(=O)CN1CCC[C@@H](n2cncn2)C1)C1CC1 ZINC000247392181 416332800 /nfs/dbraw/zinc/33/28/00/416332800.db2.gz XFKMIGJJKNENOS-UKRRQHHQSA-N 0 0 302.382 0.723 10 30 DCEERN C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)S(C)(=O)=O ZINC000533124546 416477610 /nfs/dbraw/zinc/47/76/10/416477610.db2.gz QVVAZOSNYSSGLC-MRVPVSSYSA-N 0 0 320.367 0.409 10 30 DCEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)NC)C1 ZINC000422149851 416421962 /nfs/dbraw/zinc/42/19/62/416421962.db2.gz YXJJDUKOLUVIQU-CYBMUJFWSA-N 0 0 309.410 0.786 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)Nc2ncn(CC(=O)OCC)n2)C1 ZINC000599797352 416615409 /nfs/dbraw/zinc/61/54/09/416615409.db2.gz LATJBSSMUKLZAK-LLVKDONJSA-N 0 0 307.354 1.271 10 30 DCEERN C[C@H](C(=O)N1CCNC(=O)c2ccccc21)n1cnc(C#N)n1 ZINC000545245133 416668503 /nfs/dbraw/zinc/66/85/03/416668503.db2.gz XNHFCXFQNTTWEG-SNVBAGLBSA-N 0 0 310.317 0.487 10 30 DCEERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](C#N)CO)cc1 ZINC000616048622 416959433 /nfs/dbraw/zinc/95/94/33/416959433.db2.gz NUIAGSILWWIITR-TZMCWYRMSA-N 0 0 304.346 0.976 10 30 DCEERN C=CCCC[C@@H](C)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000623856394 416908394 /nfs/dbraw/zinc/90/83/94/416908394.db2.gz UMIYHONFEGRXJG-LLVKDONJSA-N 0 0 318.443 0.521 10 30 DCEERN C#CCCCS(=O)(=O)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000376344779 417028770 /nfs/dbraw/zinc/02/87/70/417028770.db2.gz UVOLAKZKUIOGLO-LBPRGKRZSA-N 0 0 308.407 0.981 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC000624219447 416982853 /nfs/dbraw/zinc/98/28/53/416982853.db2.gz USICXYWPRZGPNJ-LBPRGKRZSA-N 0 0 320.397 0.765 10 30 DCEERN C=CC[C@@H](CC)NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632301497 417013616 /nfs/dbraw/zinc/01/36/16/417013616.db2.gz BQUYVBLXBRCPSK-VXGBXAGGSA-N 0 0 324.468 0.542 10 30 DCEERN C[C@@H](C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)n1cnc(C#N)n1 ZINC000524094286 417097242 /nfs/dbraw/zinc/09/72/42/417097242.db2.gz RYNDHIRZVQTQPT-XUJVJEKNSA-N 0 0 319.365 0.507 10 30 DCEERN C=C[C@@H](O)C(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000616513126 417067882 /nfs/dbraw/zinc/06/78/82/417067882.db2.gz IBGHLPQZKFEFAT-CYBMUJFWSA-N 0 0 316.336 0.897 10 30 DCEERN C=C[C@@H](O)C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000616524985 417069588 /nfs/dbraw/zinc/06/95/88/417069588.db2.gz GNPNUYZOKIVYRM-CYBMUJFWSA-N 0 0 316.336 0.897 10 30 DCEERN C=CC[C@@H](C)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000378068070 417073953 /nfs/dbraw/zinc/07/39/53/417073953.db2.gz IVSAGYUGBVLTRN-GFCCVEGCSA-N 0 0 318.443 0.475 10 30 DCEERN C=CCCC1(CNC(=O)CNS(=O)(=O)NC)CCCC1 ZINC000617418227 417217907 /nfs/dbraw/zinc/21/79/07/417217907.db2.gz WTTDDHJIFSSMTH-UHFFFAOYSA-N 0 0 303.428 0.683 10 30 DCEERN CNC(=O)NC(=O)CCN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000408452441 417163176 /nfs/dbraw/zinc/16/31/76/417163176.db2.gz PMHYVGJHIIMUIA-SWLSCSKDSA-N 0 0 308.382 0.759 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)c2cncc3ncn(C)c32)C1=O ZINC000632849714 417280759 /nfs/dbraw/zinc/28/07/59/417280759.db2.gz OZIGZTJXJZFVFV-CYBMUJFWSA-N 0 0 313.361 0.827 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)[C@]2(CC(C)C)CCNC2=O)C1=O ZINC000632845998 417280778 /nfs/dbraw/zinc/28/07/78/417280778.db2.gz YUDWKZRQLTXHJD-DYVFJYSZSA-N 0 0 321.421 0.784 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000570326419 417336911 /nfs/dbraw/zinc/33/69/11/417336911.db2.gz RYMSRCGKGGFNAX-CCKXHYTFSA-N 0 0 300.424 0.988 10 30 DCEERN C=CCNC(=O)[C@@H](C)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451673404 417378178 /nfs/dbraw/zinc/37/81/78/417378178.db2.gz TUGUOQMLRROMOE-GFCCVEGCSA-N 0 0 317.389 0.994 10 30 DCEERN CC#CC[C@H](CO)NC(=O)C1(c2cc(C)no2)CCOCC1 ZINC000627977428 417547575 /nfs/dbraw/zinc/54/75/75/417547575.db2.gz PECHLLYXORUUDT-CYBMUJFWSA-N 0 0 306.362 0.922 10 30 DCEERN CC#CC[C@@H](CO)NC(=O)C1(c2cc(C)no2)CCOCC1 ZINC000627977429 417548383 /nfs/dbraw/zinc/54/83/83/417548383.db2.gz PECHLLYXORUUDT-ZDUSSCGKSA-N 0 0 306.362 0.922 10 30 DCEERN C=CCOC[C@H]1NC(=O)N(CC(C)(C)C(=O)N2CCCC2)C1=O ZINC000530206002 417550216 /nfs/dbraw/zinc/55/02/16/417550216.db2.gz KRYPMVXVVKBNFE-GFCCVEGCSA-N 0 0 323.393 0.758 10 30 DCEERN C=CCn1c(-c2cn(C)nn2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635029087 417558582 /nfs/dbraw/zinc/55/85/82/417558582.db2.gz FHTFCXPGWTYIAG-PHIMTYICSA-N 0 0 301.354 0.342 10 30 DCEERN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1-c1nnn(C)c1C ZINC000453459740 417521072 /nfs/dbraw/zinc/52/10/72/417521072.db2.gz MFWHVHCCCJOJOB-UHFFFAOYSA-N 0 0 313.369 1.435 10 30 DCEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635186694 417603149 /nfs/dbraw/zinc/60/31/49/417603149.db2.gz JGVTXODLXVQTFA-LLVKDONJSA-N 0 0 306.366 0.601 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NCCC(C)(C)C=C)C1=O ZINC000628317151 417606361 /nfs/dbraw/zinc/60/63/61/417606361.db2.gz XUYDXUNDDZBZDY-UHFFFAOYSA-N 0 0 307.350 0.682 10 30 DCEERN C=C(C)CN(C)C(=O)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000635098363 417575140 /nfs/dbraw/zinc/57/51/40/417575140.db2.gz HMFGZUOXFRHZLO-UHFFFAOYSA-N 0 0 303.318 0.991 10 30 DCEERN C=CCC[C@@H](NC(=O)c1ccnc2n[nH]nc21)C(=O)OCC ZINC000456611169 417656564 /nfs/dbraw/zinc/65/65/64/417656564.db2.gz QJHBSOAWRGYKEI-SNVBAGLBSA-N 0 0 303.322 0.981 10 30 DCEERN C=CCC[C@H](CO)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000456772246 417663246 /nfs/dbraw/zinc/66/32/46/417663246.db2.gz WOEJIGNFKIDBAH-OAHLLOKOSA-N 0 0 319.405 0.971 10 30 DCEERN N#Cc1ccc(N2CC[C@H](S(=O)(=O)N3CCCC3)C2)nn1 ZINC000301971666 230012958 /nfs/dbraw/zinc/01/29/58/230012958.db2.gz SPINHXLNPZRDHF-LBPRGKRZSA-N 0 0 307.379 0.353 10 30 DCEERN Cc1ncc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1C#N ZINC000320322236 261177400 /nfs/dbraw/zinc/17/74/00/261177400.db2.gz HGQULUATEVNSOX-GXSJLCMTSA-N 0 0 322.390 0.536 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC000362467680 262038937 /nfs/dbraw/zinc/03/89/37/262038937.db2.gz SWRXGSIMAPVWMV-RKDXNWHRSA-N 0 0 306.322 0.072 10 30 DCEERN C=CCN(C(=O)c1cc(C#N)cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000330477049 264246569 /nfs/dbraw/zinc/24/65/69/264246569.db2.gz VXBLKWIIFIQOMV-LBPRGKRZSA-N 0 0 307.375 0.712 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C#N)s1 ZINC000487143212 267131171 /nfs/dbraw/zinc/13/11/71/267131171.db2.gz VYQDEFULOWAVIP-RKDXNWHRSA-N 0 0 323.374 0.806 10 30 DCEERN CCOC(=O)[C@H](NC(=O)c1ccc(C#N)n1C)C1CCOCC1 ZINC000450274237 267133576 /nfs/dbraw/zinc/13/35/76/267133576.db2.gz GLSICJQMZZDHPA-CQSZACIVSA-N 0 0 319.361 0.985 10 30 DCEERN Cn1c(C#N)ccc1C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000450627903 268113070 /nfs/dbraw/zinc/11/30/70/268113070.db2.gz KMVQRHGBHPLZFE-HNNXBMFYSA-N 0 0 307.350 0.719 10 30 DCEERN N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(N)=O)C2)ccc1F ZINC000452062461 268191280 /nfs/dbraw/zinc/19/12/80/268191280.db2.gz YODVWWXDBMTZTM-SCZZXKLOSA-N 0 0 311.338 0.630 10 30 DCEERN N#Cc1cccc(CC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000536360454 287853356 /nfs/dbraw/zinc/85/33/56/287853356.db2.gz BKZPBCWOFDQYIV-CYBMUJFWSA-N 0 0 307.375 0.380 10 30 DCEERN N#Cc1cccc(CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000536360455 287853391 /nfs/dbraw/zinc/85/33/91/287853391.db2.gz BKZPBCWOFDQYIV-ZDUSSCGKSA-N 0 0 307.375 0.380 10 30 DCEERN COCCN(Cc1cnc2ccc(C#N)cn12)[C@H](C)C(N)=O ZINC000093137955 277218200 /nfs/dbraw/zinc/21/82/00/277218200.db2.gz BOVNEFXHHWCWTE-LLVKDONJSA-N 0 0 301.350 0.528 10 30 DCEERN C=C(C)CS(=O)(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000352639084 277780381 /nfs/dbraw/zinc/78/03/81/277780381.db2.gz ZHDIDGCXXGHKCX-LLVKDONJSA-N 0 0 310.441 0.296 10 30 DCEERN COc1cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1O ZINC000545981083 288009271 /nfs/dbraw/zinc/00/92/71/288009271.db2.gz FIWGTAUSBYYCBJ-SECBINFHSA-N 0 0 301.306 0.741 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352074685 280103244 /nfs/dbraw/zinc/10/32/44/280103244.db2.gz OJRDOSMHLAIIBH-HLPPOEQASA-N 0 0 308.426 0.444 10 30 DCEERN CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N1CCCS1(=O)=O ZINC000408207809 280179569 /nfs/dbraw/zinc/17/95/69/280179569.db2.gz JJJLVUBDLOUXGR-JHJVBQTASA-N 0 0 313.423 0.855 10 30 DCEERN N#Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)ccn1 ZINC000408051158 294873877 /nfs/dbraw/zinc/87/38/77/294873877.db2.gz IKFUTWDVVPLHBC-RBSFLKMASA-N 0 0 301.346 0.955 10 30 DCEERN C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160273883 332782587 /nfs/dbraw/zinc/78/25/87/332782587.db2.gz RPFIHUVNSPKJGG-UHFFFAOYSA-N 0 0 310.375 0.406 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000185755447 333370904 /nfs/dbraw/zinc/37/09/04/333370904.db2.gz ZTBIPTLSWDBBHJ-ZDUSSCGKSA-N 0 0 324.402 0.893 10 30 DCEERN C=CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)NC ZINC000413982265 333885886 /nfs/dbraw/zinc/88/58/86/333885886.db2.gz 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ZINC000302678515 336364598 /nfs/dbraw/zinc/36/45/98/336364598.db2.gz QVSDVQLWGVGDOP-UHFFFAOYSA-N 0 0 323.356 0.892 10 30 DCEERN C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2cccnn2)CC1 ZINC000170649899 337082736 /nfs/dbraw/zinc/08/27/36/337082736.db2.gz UCNIUNMOBNOACB-ZDUSSCGKSA-N 0 0 302.382 0.359 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000582602606 337112168 /nfs/dbraw/zinc/11/21/68/337112168.db2.gz FOCVUXURJPBXGT-NDBYEHHHSA-N 0 0 316.423 0.795 10 30 DCEERN C=CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184870258 337200709 /nfs/dbraw/zinc/20/07/09/337200709.db2.gz KIZHYHZOJYRKSQ-HNNXBMFYSA-N 0 0 317.389 0.942 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC ZINC000584480599 337348871 /nfs/dbraw/zinc/34/88/71/337348871.db2.gz IDJXPUBYHMXEAI-CHWSQXEVSA-N 0 0 309.410 0.880 10 30 DCEERN COC(=O)CCCCC[C@@H]1NC(=O)N[C@H]1COS(C)(=O)=O ZINC000584659400 337378197 /nfs/dbraw/zinc/37/81/97/337378197.db2.gz NXDLAOPMDVXQBN-UWVGGRQHSA-N 0 0 322.383 0.136 10 30 DCEERN 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302.327 0.327 10 30 DCEERN N#Cc1ccc(F)c(NC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000828589476 685357471 /nfs/dbraw/zinc/35/74/71/685357471.db2.gz KJLRDKSAWPPORU-GFCCVEGCSA-N 0 0 322.340 0.512 10 30 DCEERN C=C(C)COCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307919564 1190387341 /nfs/dbraw/zinc/38/73/41/1190387341.db2.gz YZSJUKCLZRUQGL-UHFFFAOYSA-N 0 0 312.391 0.995 10 30 DCEERN CS(=O)(=O)NCCCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000407073465 774221118 /nfs/dbraw/zinc/22/11/18/774221118.db2.gz UYKSSVXSLAVMOH-UHFFFAOYSA-N 0 0 304.353 0.879 10 30 DCEERN C=CCC[C@H](CO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000321086358 775509288 /nfs/dbraw/zinc/50/92/88/775509288.db2.gz JCKLGKNEJWWQOS-MNOVXSKESA-N 0 0 307.437 0.350 10 30 DCEERN C#C[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000718218461 951888931 /nfs/dbraw/zinc/88/89/31/951888931.db2.gz PPVLMAZPXRWOFL-QMMMGPOBSA-N 0 0 318.738 0.829 10 30 DCEERN CCc1nc2n(n1)C[C@H](NC(=O)C1(C#N)CCOCC1)CC2 ZINC000172257858 529751259 /nfs/dbraw/zinc/75/12/59/529751259.db2.gz 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C=CCOCCNC(=O)C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000611548260 396884674 /nfs/dbraw/zinc/88/46/74/396884674.db2.gz OQQRYGFUQSPXID-UHFFFAOYSA-N 0 0 320.345 0.659 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC(O)(COC)CC1 ZINC000625512642 396904661 /nfs/dbraw/zinc/90/46/61/396904661.db2.gz RIPCJIZBICJYPQ-UHFFFAOYSA-N 0 0 312.410 0.705 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC(CO)(OC)CC1 ZINC000625531298 396916083 /nfs/dbraw/zinc/91/60/83/396916083.db2.gz RPABGACGQCKCFE-UHFFFAOYSA-N 0 0 312.410 0.705 10 30 DCEERN C=CCSCCNC(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000597218971 396916235 /nfs/dbraw/zinc/91/62/35/396916235.db2.gz WTQCVZSPKQEITF-SECBINFHSA-N 0 0 308.350 0.562 10 30 DCEERN Cc1cc(C#N)nc(N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000376406478 396924406 /nfs/dbraw/zinc/92/44/06/396924406.db2.gz JDASFRPHWCMPJY-ZDUSSCGKSA-N 0 0 301.350 0.849 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCC(C)(C)C=C)C1=O ZINC000625569910 396928500 /nfs/dbraw/zinc/92/85/00/396928500.db2.gz ILPICHMHKDLIGA-CYBMUJFWSA-N 0 0 321.421 0.950 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307.375 0.766 10 30 DCEERN N#Cc1ccc(N2CCC[C@H](N3C[C@@H](O)[C@H](O)C3)C2=O)cc1 ZINC000368437997 159394302 /nfs/dbraw/zinc/39/43/02/159394302.db2.gz IRUADRZSPXDWJD-RRFJBIMHSA-N 0 0 301.346 0.091 10 30 DCEERN Cc1noc([C@@H]2CN(C(=O)c3cc(C#N)cn3C)CCN2C)n1 ZINC000408032460 160016385 /nfs/dbraw/zinc/01/63/85/160016385.db2.gz XGACRNUIZVYCNX-ZDUSSCGKSA-N 0 0 314.349 0.717 10 30 DCEERN CS(=O)(=O)N1CCC(NC(=O)c2cc(C#N)ccn2)CC1 ZINC000408138901 160046199 /nfs/dbraw/zinc/04/61/99/160046199.db2.gz LNPBZBCBJKUATG-UHFFFAOYSA-N 0 0 308.363 0.107 10 30 DCEERN CN(C(=O)CN1C(=O)NC(=O)C1(C)C)c1cccc(C#N)c1 ZINC000118881419 286945968 /nfs/dbraw/zinc/94/59/68/286945968.db2.gz YTYQKANKMJSAQS-UHFFFAOYSA-N 0 0 300.318 0.851 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000249627458 287116565 /nfs/dbraw/zinc/11/65/65/287116565.db2.gz UJFOSTHDIBSIBS-UBHSHLNASA-N 0 0 304.346 0.527 10 30 DCEERN C=CCN(C(=O)[C@H]1CSC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000265830993 415133904 /nfs/dbraw/zinc/13/39/04/415133904.db2.gz QCMBNUVQAYDTNU-DTWKUNHWSA-N 0 0 304.393 0.013 10 30 DCEERN CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000268262408 415186959 /nfs/dbraw/zinc/18/69/59/415186959.db2.gz RQVKHHQMEBUPNM-ZYHUDNBSSA-N 0 0 305.382 0.096 10 30 DCEERN C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000271143006 415264965 /nfs/dbraw/zinc/26/49/65/415264965.db2.gz BLALXMMWJYPBKR-LLVKDONJSA-N 0 0 319.292 0.764 10 30 DCEERN C=C(CN1C(=O)N[C@@](C)(c2cccnc2)C1=O)C(=O)OCC ZINC000274942993 415365212 /nfs/dbraw/zinc/36/52/12/415365212.db2.gz RHHQWRKJMVDWPT-HNNXBMFYSA-N 0 0 303.318 0.968 10 30 DCEERN C#CCN(CC#C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000075400042 415448307 /nfs/dbraw/zinc/44/83/07/415448307.db2.gz RNSIGIGPWKYABM-LBPRGKRZSA-N 0 0 322.361 0.588 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)C(C)C)CC1 ZINC000353302607 415502469 /nfs/dbraw/zinc/50/24/69/415502469.db2.gz YQCGKDSSQMHJMJ-CQSZACIVSA-N 0 0 310.442 0.908 10 30 DCEERN CS(=O)(=O)CCCN1CCN(c2ncccc2C#N)CC1 ZINC000103139390 415608797 /nfs/dbraw/zinc/60/87/97/415608797.db2.gz UZXGXJAGCINBHY-UHFFFAOYSA-N 0 0 308.407 0.510 10 30 DCEERN C#CCNC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801381 415632596 /nfs/dbraw/zinc/63/25/96/415632596.db2.gz VNKPMOAVNNYPPO-AWEZNQCLSA-N 0 0 301.394 0.435 10 30 DCEERN CCN(C[C@@H](C)C#N)C(=O)CN1c2ccccc2C[C@H]1C(N)=O ZINC000101547425 415596539 /nfs/dbraw/zinc/59/65/39/415596539.db2.gz HQLILPTXHSKNPZ-WFASDCNBSA-N 0 0 314.389 0.911 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000287514447 415669696 /nfs/dbraw/zinc/66/96/96/415669696.db2.gz ZOEMNHXJWPGSQZ-JSGCOSHPSA-N 0 0 308.403 0.675 10 30 DCEERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](C#N)C1)CC2 ZINC000114975217 415724896 /nfs/dbraw/zinc/72/48/96/415724896.db2.gz FDLGSLFHWWMEAK-WDEREUQCSA-N 0 0 304.354 0.089 10 30 DCEERN COC(=O)CN(CC#N)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000120614434 415775663 /nfs/dbraw/zinc/77/56/63/415775663.db2.gz PPXUPCGRJFOESH-UHFFFAOYSA-N 0 0 308.338 0.825 10 30 DCEERN C=CCNC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000123140003 415839840 /nfs/dbraw/zinc/83/98/40/415839840.db2.gz JDRYXDBDZKMDBX-GFCCVEGCSA-N 0 0 319.386 0.902 10 30 DCEERN C=CCCCS(=O)(=O)NCc1ncccc1S(C)(=O)=O ZINC000292320929 415842138 /nfs/dbraw/zinc/84/21/38/415842138.db2.gz NUHKYTWRWJPCHL-UHFFFAOYSA-N 0 0 318.420 0.871 10 30 DCEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2CO)n1 ZINC000121019628 415789041 /nfs/dbraw/zinc/78/90/41/415789041.db2.gz QSMALKXFFLZQFO-NSHDSACASA-N 0 0 319.365 0.432 10 30 DCEERN C=CCCCN(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000121041533 415794872 /nfs/dbraw/zinc/79/48/72/415794872.db2.gz PHISQVRZYYTNTP-UHFFFAOYSA-N 0 0 306.366 0.534 10 30 DCEERN C=C[C@](C)(O)CC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000354392855 415794997 /nfs/dbraw/zinc/79/49/97/415794997.db2.gz JPQJNQOCXHZWPG-AWEZNQCLSA-N 0 0 302.440 0.273 10 30 DCEERN C[C@H](CCNS(=O)(=O)c1ccccc1C#N)[S@](C)=O ZINC000127126792 415882617 /nfs/dbraw/zinc/88/26/17/415882617.db2.gz 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/nfs/dbraw/zinc/96/42/90/415964290.db2.gz PNUKMSXQFWBILO-UHFFFAOYSA-N 0 0 311.301 0.849 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000298083766 415990632 /nfs/dbraw/zinc/99/06/32/415990632.db2.gz ZJKBCFDPYUENRN-CZUORRHYSA-N 0 0 310.394 0.817 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000172612673 416047089 /nfs/dbraw/zinc/04/70/89/416047089.db2.gz ZNGRTZDOLBTVHB-ZJUUUORDSA-N 0 0 308.363 0.276 10 30 DCEERN Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)c(C#N)c(C)n1 ZINC000301779133 416091427 /nfs/dbraw/zinc/09/14/27/416091427.db2.gz MKLDTUNQEVIOPU-UHFFFAOYSA-N 0 0 313.405 0.971 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC)CC1 ZINC000338554778 416109779 /nfs/dbraw/zinc/10/97/79/416109779.db2.gz MXILGACNHLDHRE-UHFFFAOYSA-N 0 0 320.441 0.846 10 30 DCEERN CN1CCO[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000176436095 416125767 /nfs/dbraw/zinc/12/57/67/416125767.db2.gz YSXCFOWJZUXODE-ZDUSSCGKSA-N 0 0 306.341 0.827 10 30 DCEERN CC(C)(CNC(=O)CCn1ccnn1)N1CCS(=O)CC1 ZINC000328733866 416129375 /nfs/dbraw/zinc/12/93/75/416129375.db2.gz IAGKWEXGFTXXSF-UHFFFAOYSA-N 0 0 313.427 0.468 10 30 DCEERN CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1=O ZINC000328868320 416135679 /nfs/dbraw/zinc/13/56/79/416135679.db2.gz HEYQAUDDBNOEHF-MJBXVCDLSA-N 0 0 324.425 0.315 10 30 DCEERN CNC(=O)Cn1cc(NC(=O)N2CCN(C3CC3)CC2)cn1 ZINC000329106182 416149723 /nfs/dbraw/zinc/14/97/23/416149723.db2.gz DGSJOAFOJCDWNH-UHFFFAOYSA-N 0 0 306.370 0.795 10 30 DCEERN C[C@@H]1C[C@H](CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329179883 416154683 /nfs/dbraw/zinc/15/46/83/416154683.db2.gz MVNUCABGAPISEP-FVCCEPFGSA-N 0 0 309.370 0.537 10 30 DCEERN C[C@H]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCS1 ZINC000329411769 416168120 /nfs/dbraw/zinc/16/81/20/416168120.db2.gz CENZASZZTTUUBV-SDDRHHMPSA-N 0 0 311.411 0.959 10 30 DCEERN CN1C[C@H](NC(=O)NC[C@@H]2COc3ccccc3O2)CCC1=O ZINC000329408312 416168529 /nfs/dbraw/zinc/16/85/29/416168529.db2.gz DEMDJSKTJXHSCT-VXGBXAGGSA-N 0 0 319.361 0.951 10 30 DCEERN CC1(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)COC1 ZINC000329457731 416171949 /nfs/dbraw/zinc/17/19/49/416171949.db2.gz QUIQTIOICFAXEF-LLVKDONJSA-N 0 0 319.427 0.341 10 30 DCEERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@H]1CCCOC1 ZINC000329522529 416174685 /nfs/dbraw/zinc/17/46/85/416174685.db2.gz RELATQJCBJXBFF-WOPDTQHZSA-N 0 0 304.412 0.834 10 30 DCEERN C=CCCC[C@H](C)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000340912151 416195890 /nfs/dbraw/zinc/19/58/90/416195890.db2.gz IZNVYWROHZZVIT-SOUVJXGZSA-N 0 0 316.467 0.507 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)c2nnc(C)s2)CC1 ZINC000330435445 416207261 /nfs/dbraw/zinc/20/72/61/416207261.db2.gz OSZDHMIMBULEGI-NSHDSACASA-N 0 0 309.439 0.827 10 30 DCEERN CCn1nncc1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000330502862 416211599 /nfs/dbraw/zinc/21/15/99/416211599.db2.gz DAWRSTHMBDKDJS-GFCCVEGCSA-N 0 0 309.370 0.486 10 30 DCEERN CCn1nncc1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000330502863 416212093 /nfs/dbraw/zinc/21/20/93/416212093.db2.gz DAWRSTHMBDKDJS-LBPRGKRZSA-N 0 0 309.370 0.486 10 30 DCEERN N#Cc1cc(S(=O)(=O)NCCCOCCO)ccc1Cl ZINC000182329201 416219982 /nfs/dbraw/zinc/21/99/82/416219982.db2.gz AAGUGVYRPQCTCB-UHFFFAOYSA-N 0 0 318.782 0.889 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000341705633 416225670 /nfs/dbraw/zinc/22/56/70/416225670.db2.gz UQQZSZGVHJKSSO-LLVKDONJSA-N 0 0 302.338 0.968 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ncnc(CC)c2F)CC1 ZINC000347865797 416226161 /nfs/dbraw/zinc/22/61/61/416226161.db2.gz KIOSRSGLPIVCII-UHFFFAOYSA-N 0 0 307.373 0.602 10 30 DCEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC000329312870 416163585 /nfs/dbraw/zinc/16/35/85/416163585.db2.gz GOOXLIVZTQWIHP-NWDGAFQWSA-N 0 0 305.382 0.966 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](O)C3)cc2C1=O ZINC000339720088 416163695 /nfs/dbraw/zinc/16/36/95/416163695.db2.gz DILNLSXAZVVDEG-LLVKDONJSA-N 0 0 300.314 0.675 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)CC(C)(C)OC)C1=O ZINC000349657906 416258762 /nfs/dbraw/zinc/25/87/62/416258762.db2.gz SCPCOGNGJQILGZ-NSHDSACASA-N 0 0 304.412 0.460 10 30 DCEERN N#CCc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000192575408 416308350 /nfs/dbraw/zinc/30/83/50/416308350.db2.gz OMQQYDBRJKRFNV-OAHLLOKOSA-N 0 0 303.362 0.176 10 30 DCEERN C#CCOCCC(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000193955223 416321122 /nfs/dbraw/zinc/32/11/22/416321122.db2.gz OCVDXZJWOJHLBS-UHFFFAOYSA-N 0 0 306.366 0.882 10 30 DCEERN C=CC[C@H](CO)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000342179280 416289391 /nfs/dbraw/zinc/28/93/91/416289391.db2.gz LIJFJWJZBSJZHB-AWEZNQCLSA-N 0 0 320.437 0.933 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000248532227 416333670 /nfs/dbraw/zinc/33/36/70/416333670.db2.gz YJHDDOLDJFIJLN-NEPJUHHUSA-N 0 0 304.412 0.244 10 30 DCEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194795589 416324164 /nfs/dbraw/zinc/32/41/64/416324164.db2.gz DTDGKOLZBSPFCO-AWEZNQCLSA-N 0 0 301.346 0.669 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443783 416331111 /nfs/dbraw/zinc/33/11/11/416331111.db2.gz XKCZYMGOIZOXDK-KCJUWKMLSA-N 0 0 309.288 0.386 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000360279341 416383562 /nfs/dbraw/zinc/38/35/62/416383562.db2.gz OMMCWEUQMSCMGA-UHFFFAOYSA-N 0 0 319.365 0.722 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C#N)s1 ZINC000487143209 416554465 /nfs/dbraw/zinc/55/44/65/416554465.db2.gz VYQDEFULOWAVIP-BDAKNGLRSA-N 0 0 323.374 0.806 10 30 DCEERN CC(C)(C)OC(=O)Nc1ccc(COS(C)(=O)=O)nn1 ZINC000584881200 416516363 /nfs/dbraw/zinc/51/63/63/416516363.db2.gz FJTGSKOHFMMAHC-UHFFFAOYSA-N 0 0 303.340 1.300 10 30 DCEERN C[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)n1cnc(C#N)n1 ZINC000545198400 416667692 /nfs/dbraw/zinc/66/76/92/416667692.db2.gz PDJVIZCAFNWRGN-LYIQGSDWSA-N 0 0 301.350 0.785 10 30 DCEERN C[C@@H](C(=O)NC[C@@H](CO)Cc1ccco1)n1cnc(C#N)n1 ZINC000545259180 416668841 /nfs/dbraw/zinc/66/88/41/416668841.db2.gz MCKNLCNNIXHXJP-QWRGUYRKSA-N 0 0 303.322 0.271 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000613161149 416674804 /nfs/dbraw/zinc/67/48/04/416674804.db2.gz VDAPRNZMSQMSFR-HOCLYGCPSA-N 0 0 320.389 0.883 10 30 DCEERN C=C[C@H](O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000614869170 416719022 /nfs/dbraw/zinc/71/90/22/416719022.db2.gz LJAZILZHJUPYBS-JMSVASOKSA-N 0 0 316.357 0.569 10 30 DCEERN CO[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000615296785 416807584 /nfs/dbraw/zinc/80/75/84/416807584.db2.gz LBJGFKKJUWNZBT-LBPRGKRZSA-N 0 0 300.311 0.691 10 30 DCEERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 ZINC000615632368 416873201 /nfs/dbraw/zinc/87/32/01/416873201.db2.gz SIHNEGBZSPTFGK-AWEZNQCLSA-N 0 0 305.313 0.550 10 30 DCEERN C=C(C)COCCNC(=O)N1CCN(c2nccnn2)CC1 ZINC000623768062 416886797 /nfs/dbraw/zinc/88/67/97/416886797.db2.gz JMCAHFIIWRNGGQ-UHFFFAOYSA-N 0 0 306.370 0.296 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)C1 ZINC000623956653 416924796 /nfs/dbraw/zinc/92/47/96/416924796.db2.gz 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324.340 0.678 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000027560303 332414562 /nfs/dbraw/zinc/41/45/62/332414562.db2.gz ONFDURXTRLUNQD-UHFFFAOYSA-N 0 0 316.405 0.205 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000518761771 332955880 /nfs/dbraw/zinc/95/58/80/332955880.db2.gz JNVOQXFEQJFPNK-SRVKXCTJSA-N 0 0 302.396 0.406 10 30 DCEERN C=CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000228410081 333184718 /nfs/dbraw/zinc/18/47/18/333184718.db2.gz FBBNKASNNSODTE-UHFFFAOYSA-N 0 0 300.292 0.846 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC ZINC000185803111 335152609 /nfs/dbraw/zinc/15/26/09/335152609.db2.gz QYXHUPPLQMKDJC-NSHDSACASA-N 0 0 317.345 0.377 10 30 DCEERN COC[C@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000541877797 334328365 /nfs/dbraw/zinc/32/83/65/334328365.db2.gz DSSYPXOCZJEIIU-HUUCEWRRSA-N 0 0 314.382 0.762 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNC(=O)c1ccco1 ZINC000425391051 334884792 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/nfs/dbraw/zinc/84/19/62/416841962.db2.gz WSXBMBHDVBQCHA-GFCCVEGCSA-N 0 0 303.428 0.923 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2ncns2)CC1 ZINC000615808704 416914435 /nfs/dbraw/zinc/91/44/35/416914435.db2.gz VFNBNMYRPMDOJY-GFCCVEGCSA-N 0 0 323.422 0.658 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC000624219446 416985183 /nfs/dbraw/zinc/98/51/83/416985183.db2.gz USICXYWPRZGPNJ-GFCCVEGCSA-N 0 0 320.397 0.765 10 30 DCEERN C=CC[C@H](CC)NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632301496 417012040 /nfs/dbraw/zinc/01/20/40/417012040.db2.gz BQUYVBLXBRCPSK-RYUDHWBXSA-N 0 0 324.468 0.542 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000616416328 417039657 /nfs/dbraw/zinc/03/96/57/417039657.db2.gz XXWWFMOLUDLRLJ-UONOGXRCSA-N 0 0 305.382 0.913 10 30 DCEERN C=CCO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1O ZINC000616583164 417080444 /nfs/dbraw/zinc/08/04/44/417080444.db2.gz OMBCPFYQIULSGV-UKRFAEJPSA-N 0 0 308.330 0.750 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000616698973 417095869 /nfs/dbraw/zinc/09/58/69/417095869.db2.gz PNACUWYCPUHYCO-NSHDSACASA-N 0 0 308.386 0.515 10 30 DCEERN C[C@H](CNc1ncc(Br)cc1C#N)S(N)(=O)=O ZINC000398241531 417107619 /nfs/dbraw/zinc/10/76/19/417107619.db2.gz PGLBRVQONIVSIR-ZCFIWIBFSA-N 0 0 319.184 0.805 10 30 DCEERN C=CCCOCC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000624908754 417134512 /nfs/dbraw/zinc/13/45/12/417134512.db2.gz DIICTZHVKZKMCT-UHFFFAOYSA-N 0 0 305.334 0.433 10 30 DCEERN COC(=O)C(C)(C)CS(=O)(=O)N1CCSC[C@@H]1C#N ZINC000408179291 417147106 /nfs/dbraw/zinc/14/71/06/417147106.db2.gz CNDLLDPYVPOPRO-VIFPVBQESA-N 0 0 306.409 0.456 10 30 DCEERN CC(=O)N1CCN(CCNC(=O)c2cscc2C#N)CC1 ZINC000432713484 417200162 /nfs/dbraw/zinc/20/01/62/417200162.db2.gz JGYGTMAMDQYFOX-UHFFFAOYSA-N 0 0 306.391 0.514 10 30 DCEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000412812456 417223571 /nfs/dbraw/zinc/22/35/71/417223571.db2.gz DXNXDLQMGYOXPZ-OLZOCXBDSA-N 0 0 301.346 0.888 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1C[C@@H](OC)C[C@]1(C)CO ZINC000632719022 417240190 /nfs/dbraw/zinc/24/01/90/417240190.db2.gz XJHFLSVHWRLXIX-XJKSGUPXSA-N 0 0 312.410 0.847 10 30 DCEERN C=CCNC(=O)c1cccc(S(=O)(=O)NCC2COC2)c1 ZINC000528565232 417362348 /nfs/dbraw/zinc/36/23/48/417362348.db2.gz UOMRMPWFWUMKSM-UHFFFAOYSA-N 0 0 310.375 0.527 10 30 DCEERN C=CCN(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000528116857 417307388 /nfs/dbraw/zinc/30/73/88/417307388.db2.gz VAZVEHLHYBLTHK-CQSZACIVSA-N 0 0 319.386 0.697 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000570920931 417405408 /nfs/dbraw/zinc/40/54/08/417405408.db2.gz CFCBKPNPCVRPSE-CABZTGNLSA-N 0 0 315.333 0.149 10 30 DCEERN C=CCCCS(=O)(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451617335 417366471 /nfs/dbraw/zinc/36/64/71/417366471.db2.gz AVWLLSITAKOUMB-LBPRGKRZSA-N 0 0 317.407 0.794 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cnc(OC)c(OC)c1 ZINC000627595724 417466750 /nfs/dbraw/zinc/46/67/50/417466750.db2.gz 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/nfs/dbraw/zinc/37/57/32/229375732.db2.gz YPMVUWMSDNATMK-JTQLQIEISA-N 0 0 300.322 0.679 10 30 DCEERN COC(=O)C1(NC(=O)[C@@H](C)n2cnc(C#N)n2)CCSCC1 ZINC000360252088 261815691 /nfs/dbraw/zinc/81/56/91/261815691.db2.gz OUQUOTDWPJHJTQ-SECBINFHSA-N 0 0 323.378 0.266 10 30 DCEERN COC(=O)c1cc(C(C)(C)NC(=O)c2cnn(C)c2C#N)no1 ZINC000362319680 262022891 /nfs/dbraw/zinc/02/28/91/262022891.db2.gz YUNFEHZAAQHZJS-UHFFFAOYSA-N 0 0 317.305 0.731 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1C#N ZINC000390441937 262160582 /nfs/dbraw/zinc/16/05/82/262160582.db2.gz AVZGXKYOYACMAZ-CHWSQXEVSA-N 0 0 320.374 0.161 10 30 DCEERN CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000530916081 267350638 /nfs/dbraw/zinc/35/06/38/267350638.db2.gz GFLPRZRLPWHFEY-AWEZNQCLSA-N 0 0 321.402 0.641 10 30 DCEERN CCOC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cn1 ZINC000545274107 287991906 /nfs/dbraw/zinc/99/19/06/287991906.db2.gz UIVPUCIQNXCFPK-VIFPVBQESA-N 0 0 314.305 0.921 10 30 DCEERN CC[C@H](C)NC(=O)CN1CCN(c2ccncc2C#N)CC1 ZINC000547361689 288040880 /nfs/dbraw/zinc/04/08/80/288040880.db2.gz RTQHVZYSAFJHTM-ZDUSSCGKSA-N 0 0 301.394 0.990 10 30 DCEERN N#C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1C1CC1 ZINC000377679246 279485565 /nfs/dbraw/zinc/48/55/65/279485565.db2.gz UUIJVGYHMLPGKG-OAHLLOKOSA-N 0 0 323.360 0.475 10 30 DCEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCCn1cnc(C#N)n1 ZINC000561797147 288552088 /nfs/dbraw/zinc/55/20/88/288552088.db2.gz VEFFJLSLQMLKKI-NSHDSACASA-N 0 0 314.353 0.260 10 30 DCEERN Cc1nc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)ccc1C#N ZINC000408393659 293167828 /nfs/dbraw/zinc/16/78/28/293167828.db2.gz ILFCNBYNIYDQOO-SNVBAGLBSA-N 0 0 307.375 0.768 10 30 DCEERN C[C@@](C#N)(NC(=O)CN1CCS(=O)(=O)C(C)(C)C1)C1CC1 ZINC000155193284 297835726 /nfs/dbraw/zinc/83/57/26/297835726.db2.gz YJZLUFINOIHQFU-AWEZNQCLSA-N 0 0 313.423 0.304 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000558419569 331906015 /nfs/dbraw/zinc/90/60/15/331906015.db2.gz RKBSEYFPFCIDQR-LLVKDONJSA-N 0 0 305.334 0.086 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CCCC)c1C ZINC000569532615 332127159 /nfs/dbraw/zinc/12/71/59/332127159.db2.gz ZINJNJCWDZFCNF-GFCCVEGCSA-N 0 0 308.382 0.983 10 30 DCEERN CC(C)(C)N1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC1=O ZINC000169820039 332630946 /nfs/dbraw/zinc/63/09/46/332630946.db2.gz CXVVOSMZNOZTCJ-LBPRGKRZSA-N 0 0 320.393 0.218 10 30 DCEERN C=CCCOCCNc1nc2ccccc2c(NCCO)n1 ZINC000535238174 334380469 /nfs/dbraw/zinc/38/04/69/334380469.db2.gz PBECXLRZAWAHPN-UHFFFAOYSA-N 0 0 302.378 0.882 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443446060 338451739 /nfs/dbraw/zinc/45/17/39/338451739.db2.gz SGULPNNXQSNRHF-UHFFFAOYSA-N 0 0 311.367 0.476 10 30 DCEERN C=C(C)COCCNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000345323904 335317410 /nfs/dbraw/zinc/31/74/10/335317410.db2.gz SFZKYCJQZHOSAM-NSHDSACASA-N 0 0 304.412 0.844 10 30 DCEERN C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2C)CCS1(=O)=O ZINC000329795162 336082744 /nfs/dbraw/zinc/08/27/44/336082744.db2.gz GJQKAOYDXWTYJX-UTLUCORTSA-N 0 0 303.384 0.527 10 30 DCEERN O=C(CCNC(=O)N1CCO[C@@H](C2CC2)C1)N1CCOCC1 ZINC000330140831 336117424 /nfs/dbraw/zinc/11/74/24/336117424.db2.gz PSOVPNVNIXXMDF-CYBMUJFWSA-N 0 0 311.382 0.260 10 30 DCEERN Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCO[C@H](C3CC3)C1)CC2 ZINC000330182002 336121687 /nfs/dbraw/zinc/12/16/87/336121687.db2.gz ORQGFUKOJBGQCS-OLZOCXBDSA-N 0 0 305.382 0.926 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000330221468 336126177 /nfs/dbraw/zinc/12/61/77/336126177.db2.gz RBXOBLMAUJPNHD-YRGRVCCFSA-N 0 0 308.382 0.785 10 30 DCEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1noc2c1CCCC2 ZINC000330223785 336126293 /nfs/dbraw/zinc/12/62/93/336126293.db2.gz SLLBRVHNQXMILD-GXFFZTMASA-N 0 0 307.350 0.992 10 30 DCEERN O=C(NCc1nnc2n1CCC2)N1CCc2cc[nH]c(=O)c2C1 ZINC000330229627 336127337 /nfs/dbraw/zinc/12/73/37/336127337.db2.gz VYQOBOLXOBDYQQ-UHFFFAOYSA-N 0 0 314.349 0.797 10 30 DCEERN C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000330260281 336130993 /nfs/dbraw/zinc/13/09/93/336130993.db2.gz ODPXUJJWMYCHOP-GRYCIOLGSA-N 0 0 319.427 0.482 10 30 DCEERN CC#CCN(C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000458748561 336397935 /nfs/dbraw/zinc/39/79/35/336397935.db2.gz RWNZGCASHYKPAY-RYUDHWBXSA-N 0 0 301.412 0.369 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000583704077 337092323 /nfs/dbraw/zinc/09/23/23/337092323.db2.gz UEOZAEOOFHPZLK-CYBMUJFWSA-N 0 0 309.410 0.963 10 30 DCEERN C=CCn1cc(CNC(=O)Nc2cc(COC)ncn2)nn1 ZINC000425658991 337421219 /nfs/dbraw/zinc/42/12/19/337421219.db2.gz VCKJVOHJIBTUPW-UHFFFAOYSA-N 0 0 303.326 0.722 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000425883714 338018284 /nfs/dbraw/zinc/01/82/84/338018284.db2.gz FVWQGYAHOOEIAA-AJNGGQMLSA-N 0 0 322.405 0.768 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CCO ZINC000425897826 338018631 /nfs/dbraw/zinc/01/86/31/338018631.db2.gz KRDSLASZFIDZSZ-MJBXVCDLSA-N 0 0 310.394 0.457 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000425899820 338018667 /nfs/dbraw/zinc/01/86/67/338018667.db2.gz PFCDWQVMLRDUFC-RFGFWPKPSA-N 0 0 310.394 0.577 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccn(C)n1 ZINC000425909994 338018842 /nfs/dbraw/zinc/01/88/42/338018842.db2.gz SDFHVRZQROPWBL-MDZLAQPJSA-N 0 0 306.366 0.305 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC)C1 ZINC000425910701 338018896 /nfs/dbraw/zinc/01/88/96/338018896.db2.gz XOBYBKLABLGMGW-IHRRRGAJSA-N 0 0 310.394 0.721 10 30 DCEERN C=CCNC(=O)NC(=O)CN[C@](C)(c1noc(C)n1)C1CC1 ZINC000433307702 338191007 /nfs/dbraw/zinc/19/10/07/338191007.db2.gz VQTMECJQJFZMGU-AWEZNQCLSA-N 0 0 307.354 0.605 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ncnc(N)c2Cl)CC1 ZINC000433607154 338198099 /nfs/dbraw/zinc/19/80/99/338198099.db2.gz WCDFYGMPMNJZMK-UHFFFAOYSA-N 0 0 310.789 0.136 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000435587690 338242926 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/nfs/dbraw/zinc/25/88/64/231258864.db2.gz MBTVQEYJUNIHKL-CQSZACIVSA-N 0 0 312.377 0.759 10 30 DCEERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]21 ZINC000408459768 529784906 /nfs/dbraw/zinc/78/49/06/529784906.db2.gz JYKVKMABEFVYCV-CHWSQXEVSA-N 0 0 315.439 0.661 10 30 DCEERN CN1CCO[C@H]2CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]21 ZINC000408460653 529791295 /nfs/dbraw/zinc/79/12/95/529791295.db2.gz QALHUBVXDNFDSB-RYUDHWBXSA-N 0 0 301.412 0.271 10 30 DCEERN CNC(=O)N[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000408254381 529888896 /nfs/dbraw/zinc/88/88/96/529888896.db2.gz DFHFFGUSJUVZEZ-CYBMUJFWSA-N 0 0 321.425 0.675 10 30 DCEERN CNC(=O)N[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000408257872 529888906 /nfs/dbraw/zinc/88/89/06/529888906.db2.gz STWNVVJRDDWIPD-GFCCVEGCSA-N 0 0 307.398 0.332 10 30 DCEERN CNC(=O)[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000376570858 529908023 /nfs/dbraw/zinc/90/80/23/529908023.db2.gz NDYBUQKEOZQPAT-BPCQOVAHSA-N 0 0 308.382 0.473 10 30 DCEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)NC1CC1 ZINC000156643852 529928167 /nfs/dbraw/zinc/92/81/67/529928167.db2.gz GHEXESBOWGTIJY-UHFFFAOYSA-N 0 0 321.402 0.542 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H](CO)C2)c1 ZINC000147444698 186040243 /nfs/dbraw/zinc/04/02/43/186040243.db2.gz JGIPQOAALYNVGQ-ZDUSSCGKSA-N 0 0 310.375 0.025 10 30 DCEERN NS(=O)(=O)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1 ZINC000000034102 180672941 /nfs/dbraw/zinc/67/29/41/180672941.db2.gz BEHLGQONDFVOOM-CAOOACKPSA-N 0 0 316.346 0.598 10 30 DCEERN Cn1c2ccc(/C=N/N=C3\NC(=O)CS3)cc2n(C)c1=O ZINC000005603490 181262203 /nfs/dbraw/zinc/26/22/03/181262203.db2.gz BBAOHKCTYWPHEF-MKMNVTDBSA-N 0 0 303.347 0.430 10 30 DCEERN CN(C)c1ccc(C=[NH+][N-]c2nnc(SCC(N)=O)[nH]2)cc1 ZINC000005929844 181297139 /nfs/dbraw/zinc/29/71/39/181297139.db2.gz MYTQCQYQUQRTMQ-VIZOYTHASA-N 0 0 319.394 0.894 10 30 DCEERN Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@](C)(C#N)C2CC2)c1=O ZINC000127225405 236963384 /nfs/dbraw/zinc/96/33/84/236963384.db2.gz XNMFEPUZGIATBS-CQSZACIVSA-N 0 0 304.306 0.873 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000172314953 237146786 /nfs/dbraw/zinc/14/67/86/237146786.db2.gz CQXYNRHJLRRBQS-ZDUSSCGKSA-N 0 0 307.375 0.516 10 30 DCEERN Cc1nnc([C@H]2CN(C(=O)C3(C#N)CCOCC3)CCO2)[nH]1 ZINC000173525741 237158719 /nfs/dbraw/zinc/15/87/19/237158719.db2.gz VMIYTPKIJQDWOJ-LLVKDONJSA-N 0 0 305.338 0.333 10 30 DCEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000176724459 237204511 /nfs/dbraw/zinc/20/45/11/237204511.db2.gz RELARUYEAGVTRC-UHFFFAOYSA-N 0 0 304.331 0.948 10 30 DCEERN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CCN1CCO ZINC000187725937 237353284 /nfs/dbraw/zinc/35/32/84/237353284.db2.gz ZHWMWYDSPFWKPF-OAHLLOKOSA-N 0 0 322.453 0.670 10 30 DCEERN C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCN1CCO ZINC000187731378 237357875 /nfs/dbraw/zinc/35/78/75/237357875.db2.gz HQBMRPNTMNEAKK-CQSZACIVSA-N 0 0 308.426 0.327 10 30 DCEERN N#Cc1ccc(C2(C(=O)NCCCc3nc(=O)[nH][nH]3)CC2)cc1 ZINC000189531979 237399226 /nfs/dbraw/zinc/39/92/26/237399226.db2.gz XCYOURMQUYNGOY-UHFFFAOYSA-N 0 0 311.345 0.750 10 30 DCEERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCO2)[nH]1 ZINC000247010932 238161082 /nfs/dbraw/zinc/16/10/82/238161082.db2.gz OLVVKMBZWPIQCH-PWSUYJOCSA-N 0 0 306.370 0.247 10 30 DCEERN N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCN1C1CC1 ZINC000370994982 239179659 /nfs/dbraw/zinc/17/96/59/239179659.db2.gz XKDFKEKILIJYHD-CQSZACIVSA-N 0 0 316.336 0.963 10 30 DCEERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371137190 239181608 /nfs/dbraw/zinc/18/16/08/239181608.db2.gz AEOCCPRNTDWGSR-VHDGCEQUSA-N 0 0 322.409 0.562 10 30 DCEERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371137188 239181912 /nfs/dbraw/zinc/18/19/12/239181912.db2.gz AEOCCPRNTDWGSR-SNPRPXQTSA-N 0 0 322.409 0.562 10 30 DCEERN CCS(=O)(=O)N(C)CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000408005648 239259437 /nfs/dbraw/zinc/25/94/37/239259437.db2.gz YIESFRVICOVJIA-AAEUAGOBSA-N 0 0 301.412 0.857 10 30 DCEERN C=C(C)[C@@H](CC(=O)N[C@@H](CO)CN1CCOCC1)OCC ZINC000425290334 240334042 /nfs/dbraw/zinc/33/40/42/240334042.db2.gz GBYKQEUVDXICRJ-ZIAGYGMSSA-N 0 0 300.399 0.167 10 30 DCEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](OC)C1 ZINC000453988806 240765888 /nfs/dbraw/zinc/76/58/88/240765888.db2.gz ZUXUXRGZXKXRSI-HUUCEWRRSA-N 0 0 318.373 0.962 10 30 DCEERN N#Cc1ccc(Cl)cc1NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000092228953 193176981 /nfs/dbraw/zinc/17/69/81/193176981.db2.gz KZWWGBUMCAGFNB-LBPRGKRZSA-N 0 0 322.752 0.336 10 30 DCEERN N#Cc1cccc(Cc2nc(-c3ncn(CC(N)=O)n3)no2)c1 ZINC000571458212 291515918 /nfs/dbraw/zinc/51/59/18/291515918.db2.gz ZTRKVRAUEBRKSY-UHFFFAOYSA-N 0 0 309.289 0.276 10 30 DCEERN CC1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)COC1 ZINC000264818037 204181568 /nfs/dbraw/zinc/18/15/68/204181568.db2.gz MASMBRHLRVOORD-UHFFFAOYSA-N 0 0 315.377 0.821 10 30 DCEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000177091584 284294484 /nfs/dbraw/zinc/29/44/84/284294484.db2.gz OAMSDRNJZAXYAY-RISCZKNCSA-N 0 0 322.386 0.891 10 30 DCEERN C=CCS(=O)(=O)CCNC(=O)c1cc(C(=O)OC)co1 ZINC000274047562 211304375 /nfs/dbraw/zinc/30/43/75/211304375.db2.gz UDBGILKBOCBLTG-UHFFFAOYSA-N 0 0 301.320 0.397 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)nc1Cl ZINC000273478139 210806619 /nfs/dbraw/zinc/80/66/19/210806619.db2.gz ZDZKDGTZTFEBCP-MRVPVSSYSA-N 0 0 313.741 0.735 10 30 DCEERN C[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)n1cncn1 ZINC000329160820 533096567 /nfs/dbraw/zinc/09/65/67/533096567.db2.gz DZGVJVKZQPLRKL-NSHDSACASA-N 0 0 313.427 0.639 10 30 DCEERN C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)S(N)(=O)=O ZINC000350618091 254319225 /nfs/dbraw/zinc/31/92/25/254319225.db2.gz BWFSZIOIVWERHT-LURJTMIESA-N 0 0 303.290 0.243 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000407952495 533142369 /nfs/dbraw/zinc/14/23/69/533142369.db2.gz HMYGQEXNSSQFTK-QWRGUYRKSA-N 0 0 312.399 0.320 10 30 DCEERN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@](O)(C(N)=O)C1 ZINC000367490497 533239756 /nfs/dbraw/zinc/23/97/56/533239756.db2.gz 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/nfs/dbraw/zinc/88/33/49/395883349.db2.gz OCGNXMTUFAOQII-OAHLLOKOSA-N 0 0 322.453 0.307 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCN2CCOC[C@H]2CO)c1 ZINC000168137441 396089495 /nfs/dbraw/zinc/08/94/95/396089495.db2.gz MXLLEHORQNKKAS-CYBMUJFWSA-N 0 0 310.375 0.025 10 30 DCEERN N#CCOC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 ZINC000169347859 396090421 /nfs/dbraw/zinc/09/04/21/396090421.db2.gz QYIAGHVRHLXEEH-LBPRGKRZSA-N 0 0 319.317 0.614 10 30 DCEERN C[C@@H](NC(N)=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000171552132 396118646 /nfs/dbraw/zinc/11/86/46/396118646.db2.gz FMVADCHNZIXPMQ-LLVKDONJSA-N 0 0 316.361 0.985 10 30 DCEERN N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000171617385 396120756 /nfs/dbraw/zinc/12/07/56/396120756.db2.gz JBRSHQIQWDVSJA-AWEZNQCLSA-N 0 0 315.377 0.964 10 30 DCEERN N#Cc1ccc(CN(C(=O)CN2CC(=O)NC2=O)C2CC2)cc1 ZINC000171862545 396126848 /nfs/dbraw/zinc/12/68/48/396126848.db2.gz UGVNNFRGZJVZMC-UHFFFAOYSA-N 0 0 312.329 0.601 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000076598144 396206403 /nfs/dbraw/zinc/20/64/03/396206403.db2.gz JWPWJRUXDPEBDR-DOMZBBRYSA-N 0 0 316.357 0.914 10 30 DCEERN COCCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000074016448 396155243 /nfs/dbraw/zinc/15/52/43/396155243.db2.gz ZWGAZAHNGLWSLX-UHFFFAOYSA-N 0 0 303.366 0.821 10 30 DCEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000178515275 396197313 /nfs/dbraw/zinc/19/73/13/396197313.db2.gz YISWFKFCPMQFHI-GFCCVEGCSA-N 0 0 307.375 0.766 10 30 DCEERN C=CCNC(=O)CNC(=O)NCCCc1nc(C(C)C)no1 ZINC000180553075 396233086 /nfs/dbraw/zinc/23/30/86/396233086.db2.gz CPMZBVHZYCMAQE-UHFFFAOYSA-N 0 0 309.370 0.727 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)NCCCn2ccnn2)cc1 ZINC000185068500 396315923 /nfs/dbraw/zinc/31/59/23/396315923.db2.gz QZAKGXIBWOIXBU-UHFFFAOYSA-N 0 0 312.333 0.086 10 30 DCEERN C[C@@H](CO)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184618439 396300788 /nfs/dbraw/zinc/30/07/88/396300788.db2.gz KPCSNFXBWKYHCA-JTQLQIEISA-N 0 0 300.322 0.983 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC000185712221 396333287 /nfs/dbraw/zinc/33/32/87/396333287.db2.gz LPOZMZVKOPGUME-SNVBAGLBSA-N 0 0 307.741 0.983 10 30 DCEERN CC[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185466222 396328436 /nfs/dbraw/zinc/32/84/36/396328436.db2.gz DBRCPONIDFSKQV-JTQLQIEISA-N 0 0 312.333 0.992 10 30 DCEERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000188100066 396378942 /nfs/dbraw/zinc/37/89/42/396378942.db2.gz QCJWGPRVVOAXGM-LLVKDONJSA-N 0 0 314.345 0.025 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594842898 396526248 /nfs/dbraw/zinc/52/62/48/396526248.db2.gz QSGLXPLTBPVHBP-ZDUSSCGKSA-N 0 0 305.396 0.983 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1nc(C)ncc1Cl)C(=O)OC ZINC000581463737 396555987 /nfs/dbraw/zinc/55/59/87/396555987.db2.gz NMAACVWYRFNEJT-SNVBAGLBSA-N 0 0 313.741 0.912 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000595153389 396557626 /nfs/dbraw/zinc/55/76/26/396557626.db2.gz PHRCIQXEWCLPDF-LBPRGKRZSA-N 0 0 312.366 0.107 10 30 DCEERN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860987 396669117 /nfs/dbraw/zinc/66/91/17/396669117.db2.gz UOVQVQJUVRCKCA-MNOVXSKESA-N 0 0 319.336 0.949 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](CO)C2)c(F)c1 ZINC000586859853 396669552 /nfs/dbraw/zinc/66/95/52/396669552.db2.gz LAWIHMNUBRWODT-NSHDSACASA-N 0 0 305.309 0.154 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCOc2ccc(O)cc2C1 ZINC000595856621 396670714 /nfs/dbraw/zinc/67/07/14/396670714.db2.gz KUJOGIAKEDWJJX-NSHDSACASA-N 0 0 319.361 0.987 10 30 DCEERN CNS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000294442796 396674549 /nfs/dbraw/zinc/67/45/49/396674549.db2.gz XXQHEVYECSVHRO-UHFFFAOYSA-N 0 0 322.390 0.089 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCN(c3cccc(F)c3)CC2)n1 ZINC000610893315 396777751 /nfs/dbraw/zinc/77/77/51/396777751.db2.gz SOTYFKJWLGOGCQ-UHFFFAOYSA-N 0 0 314.324 0.638 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC000600300618 396793354 /nfs/dbraw/zinc/79/33/54/396793354.db2.gz JIYQSYXWUNKMDN-IUODEOHRSA-N 0 0 312.366 0.248 10 30 DCEERN C=CCSCCNC(=O)N(C)CCN1CCCS1(=O)=O ZINC000610594195 396734281 /nfs/dbraw/zinc/73/42/81/396734281.db2.gz YJECVLKLECWBFS-UHFFFAOYSA-N 0 0 321.468 0.583 10 30 DCEERN C=CCOc1ccccc1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629415783 396749633 /nfs/dbraw/zinc/74/96/33/396749633.db2.gz KWWRLADEBHRYAB-LBPRGKRZSA-N 0 0 304.346 0.968 10 30 DCEERN C=CCN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@H](C)COC ZINC000617581594 396758781 /nfs/dbraw/zinc/75/87/81/396758781.db2.gz UUIMHZUDIUQKBA-SNVBAGLBSA-N 0 0 313.379 0.392 10 30 DCEERN C=CCN(C(=O)c1ccnc(S(C)(=O)=O)n1)[C@H](C)COC ZINC000617582128 396759261 /nfs/dbraw/zinc/75/92/61/396759261.db2.gz HFNZZZAHPBXDEV-SNVBAGLBSA-N 0 0 313.379 0.543 10 30 DCEERN Cc1ncc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)cc1C#N ZINC000311932507 396762119 /nfs/dbraw/zinc/76/21/19/396762119.db2.gz GPBZLPYXWRTEGE-NTCNTBNZSA-N 0 0 301.393 0.307 10 30 DCEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000629893322 396865923 /nfs/dbraw/zinc/86/59/23/396865923.db2.gz QRBJNOFXMMTDNO-YPMHNXCESA-N 0 0 304.412 0.101 10 30 DCEERN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C#N)ccn1 ZINC000618137934 396909818 /nfs/dbraw/zinc/90/98/18/396909818.db2.gz RTLSBFRIXDAROO-GFCCVEGCSA-N 0 0 315.333 0.019 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NCc1ccncc1CC ZINC000611720549 396916972 /nfs/dbraw/zinc/91/69/72/396916972.db2.gz JUVMSNPYHGDPID-UHFFFAOYSA-N 0 0 305.378 0.969 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000611725779 396918201 /nfs/dbraw/zinc/91/82/01/396918201.db2.gz QMJBVTWZPLFDDT-BFHYXJOUSA-N 0 0 322.405 0.769 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCC(C)(C)C=C)C1=O ZINC000625569912 396928633 /nfs/dbraw/zinc/92/86/33/396928633.db2.gz ILPICHMHKDLIGA-ZDUSSCGKSA-N 0 0 321.421 0.950 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=C)C ZINC000611885203 396944040 /nfs/dbraw/zinc/94/40/40/396944040.db2.gz KZPKHPKTZABQEV-UONOGXRCSA-N 0 0 310.394 0.793 10 30 DCEERN C=CCOCCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000618517772 396987264 /nfs/dbraw/zinc/98/72/64/396987264.db2.gz PQSMZWSQVBDMDY-LBPRGKRZSA-N 0 0 304.412 0.509 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000612037779 396987456 /nfs/dbraw/zinc/98/74/56/396987456.db2.gz RMYBTABSKVUGRH-AWEZNQCLSA-N 0 0 319.409 0.989 10 30 DCEERN N#CC1CCC(CNC(=O)CN2CCCC[C@H](O)C2=O)CC1 ZINC000591722560 396991193 /nfs/dbraw/zinc/99/11/93/396991193.db2.gz UGDYJZTVKYALJN-RUXDESIVSA-N 0 0 307.394 0.806 10 30 DCEERN C=CCNC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000630408489 397013210 /nfs/dbraw/zinc/01/32/10/397013210.db2.gz UOGNQGBTLFMYPU-VXGBXAGGSA-N 0 0 301.412 0.865 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](c2ccn(C)n2)C1=O ZINC000348760181 397052812 /nfs/dbraw/zinc/05/28/12/397052812.db2.gz QQPPGLHMPAOODV-UHTWSYAYSA-N 0 0 304.350 0.994 10 30 DCEERN C=CCCSCCNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601462515 397137216 /nfs/dbraw/zinc/13/72/16/397137216.db2.gz CDTLPNTXCBDBKH-GFCCVEGCSA-N 0 0 308.469 0.546 10 30 DCEERN CC(=O)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@H](C)C1 ZINC000619491528 397139203 /nfs/dbraw/zinc/13/92/03/397139203.db2.gz TULSIIBTGYRBOR-GFCCVEGCSA-N 0 0 321.402 0.994 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000630972844 397149390 /nfs/dbraw/zinc/14/93/90/397149390.db2.gz WXISVRWJZGLIFQ-WDEREUQCSA-N 0 0 315.395 0.297 10 30 DCEERN COC(=O)c1[nH]c(C)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619591515 397154216 /nfs/dbraw/zinc/15/42/16/397154216.db2.gz JUNKXMXZLSECMY-QMMMGPOBSA-N 0 0 302.294 0.773 10 30 DCEERN C[C@H](C(=O)NCCN1C(=O)Cc2ccccc21)n1cnc(C#N)n1 ZINC000619590282 397154296 /nfs/dbraw/zinc/15/42/96/397154296.db2.gz LDRWYCQKEQUQDR-LLVKDONJSA-N 0 0 324.344 0.416 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)N(CC)CCC#N)C(=O)OC ZINC000601501950 397154523 /nfs/dbraw/zinc/15/45/23/397154523.db2.gz QXETZGOUDDABLK-LLVKDONJSA-N 0 0 303.384 0.564 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)OC ZINC000601502766 397154857 /nfs/dbraw/zinc/15/48/57/397154857.db2.gz 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/nfs/dbraw/zinc/24/74/96/397247496.db2.gz BIPLNTDXVSNZNG-GFCCVEGCSA-N 0 0 315.391 0.369 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@](F)(C#N)C1 ZINC000619742883 397187034 /nfs/dbraw/zinc/18/70/34/397187034.db2.gz BFNQYDPXLQAGCW-FZMZJTMJSA-N 0 0 307.329 0.994 10 30 DCEERN CC[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O ZINC000613069858 397187950 /nfs/dbraw/zinc/18/79/50/397187950.db2.gz BRIWUPOOYSFQMD-HZPDHXFCSA-N 0 0 318.377 0.905 10 30 DCEERN CCN1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O ZINC000619797459 397193656 /nfs/dbraw/zinc/19/36/56/397193656.db2.gz FHHYXUVKEAIYBH-CYBMUJFWSA-N 0 0 307.375 0.598 10 30 DCEERN CCN1CC[C@@H](NC(=O)COc2ccc(C#N)cc2OC)C1=O ZINC000619801600 397195195 /nfs/dbraw/zinc/19/51/95/397195195.db2.gz HSRMIYLCGFVOHJ-GFCCVEGCSA-N 0 0 317.345 0.683 10 30 DCEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000619838848 397199312 /nfs/dbraw/zinc/19/93/12/397199312.db2.gz BNXZMIYEIOHADF-TXEJJXNPSA-N 0 0 319.292 0.262 10 30 DCEERN C=C[C@](C)(O)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000613133079 397199832 /nfs/dbraw/zinc/19/98/32/397199832.db2.gz VMBAPVXGUNVAQA-BZNIZROVSA-N 0 0 301.346 0.838 10 30 DCEERN C=CCCn1cc(C(=O)N[C@@H](C(=O)OC)c2ccnn2C)nn1 ZINC000592697059 397235154 /nfs/dbraw/zinc/23/51/54/397235154.db2.gz MIHJJCICRWVFMR-GFCCVEGCSA-N 0 0 318.337 0.232 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)OC ZINC000601783148 397244314 /nfs/dbraw/zinc/24/43/14/397244314.db2.gz UNIWXBUDNINDRA-JTQLQIEISA-N 0 0 303.322 0.601 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)C(=O)OC ZINC000601784752 397244452 /nfs/dbraw/zinc/24/44/52/397244452.db2.gz MNZPSBPTIQFAQH-NEPJUHHUSA-N 0 0 322.365 0.552 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC000613485722 397265412 /nfs/dbraw/zinc/26/54/12/397265412.db2.gz ABANWGKZQXSALA-YUELXQCFSA-N 0 0 319.361 0.033 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000613683683 397300846 /nfs/dbraw/zinc/30/08/46/397300846.db2.gz 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/nfs/dbraw/zinc/43/19/33/397431933.db2.gz KBUZUYLNTROEDQ-ZIAGYGMSSA-N 0 0 307.394 0.703 10 30 DCEERN C=CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599458263 397446221 /nfs/dbraw/zinc/44/62/21/397446221.db2.gz ZMXXAXUVFVQPSD-RYUDHWBXSA-N 0 0 305.396 0.840 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000614491966 397449042 /nfs/dbraw/zinc/44/90/42/397449042.db2.gz PXIBLYMFLJARFG-RYUDHWBXSA-N 0 0 302.396 0.103 10 30 DCEERN C=CCCCCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000578081923 397388914 /nfs/dbraw/zinc/38/89/14/397388914.db2.gz DSHQHOKPSZPCDW-UHFFFAOYSA-N 0 0 314.411 0.561 10 30 DCEERN C=CCC1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)CCOCC1 ZINC000424749468 397402068 /nfs/dbraw/zinc/40/20/68/397402068.db2.gz JNDDPUOGXHJWJO-ZDUSSCGKSA-N 0 0 321.377 0.983 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000614302200 397417293 /nfs/dbraw/zinc/41/72/93/397417293.db2.gz KHDHCHSJICUDRJ-DUVNUKRYSA-N 0 0 310.394 0.864 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1Cl ZINC000599493994 397459245 /nfs/dbraw/zinc/45/92/45/397459245.db2.gz WONSVAJDRALYIL-RYUDHWBXSA-N 0 0 316.766 0.640 10 30 DCEERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cc(CC#N)ccn1 ZINC000579422261 397564811 /nfs/dbraw/zinc/56/48/11/397564811.db2.gz JPJACSSLESYOBF-INIZCTEOSA-N 0 0 312.329 0.699 10 30 DCEERN C=CCOC[C@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)OC ZINC000594351272 397531557 /nfs/dbraw/zinc/53/15/57/397531557.db2.gz NKZZGCFQGGKJNN-NSHDSACASA-N 0 0 322.317 0.327 10 30 DCEERN CC(=O)N1CCC[C@H]1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000609471408 397776628 /nfs/dbraw/zinc/77/66/28/397776628.db2.gz FXUSZKSNUIJIPX-LSDHHAIUSA-N 0 0 306.410 0.690 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000081558042 158085770 /nfs/dbraw/zinc/08/57/70/158085770.db2.gz UNSBZQVWLBIJIC-AWEZNQCLSA-N 0 0 316.361 0.360 10 30 DCEERN C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[S@@](C)=O ZINC000124112510 158238794 /nfs/dbraw/zinc/23/87/94/158238794.db2.gz IGDPVYLPKJENMO-YYSFKGJASA-N 0 0 301.393 0.389 10 30 DCEERN Cc1nc(CN2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC000175618065 158429145 /nfs/dbraw/zinc/42/91/45/158429145.db2.gz HKUYIFRAWOJNRL-UHFFFAOYSA-N 0 0 314.349 0.926 10 30 DCEERN CC(=O)N1CC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000188662106 158546147 /nfs/dbraw/zinc/54/61/47/158546147.db2.gz SOQHTNWQEFTMIL-UHFFFAOYSA-N 0 0 310.317 0.556 10 30 DCEERN N#Cc1ccc(OC2CN(C(=O)CN3CCOCC3=O)C2)cc1 ZINC000369313141 159449938 /nfs/dbraw/zinc/44/99/38/159449938.db2.gz WXZDVHHBYVZTSC-UHFFFAOYSA-N 0 0 315.329 0.007 10 30 DCEERN N#Cc1cccc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000408034373 160017906 /nfs/dbraw/zinc/01/79/06/160017906.db2.gz SBDLUBTXVIGYRC-YPMHNXCESA-N 0 0 304.325 0.729 10 30 DCEERN Cc1onc(CC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1C#N ZINC000408059449 160025686 /nfs/dbraw/zinc/02/56/86/160025686.db2.gz QBNBPGKNYCNORL-ZIAGYGMSSA-N 0 0 304.350 0.329 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000408182519 160054714 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/nfs/dbraw/zinc/04/75/95/546047595.db2.gz USQIEYZIFKFYDW-LLVKDONJSA-N 0 0 309.366 0.739 10 30 DCEERN Cc1noc2ncc(C(=O)N(O)N(O)C(=O)[C@H]3CCCO3)cc12 ZINC000070003894 665721482 /nfs/dbraw/zinc/72/14/82/665721482.db2.gz OMVQBHKJJJMKRB-SNVBAGLBSA-N 0 0 322.277 0.674 10 30 DCEERN C#CCSCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000130132209 662754558 /nfs/dbraw/zinc/75/45/58/662754558.db2.gz PXOHYTCBWHDQQH-UHFFFAOYSA-N 0 0 317.370 0.172 10 30 DCEERN Cc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1CCC#N ZINC000897447360 662759913 /nfs/dbraw/zinc/75/99/13/662759913.db2.gz GUZBXWHFCOHOFM-UHFFFAOYSA-N 0 0 301.350 0.456 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)C(F)(F)C(F)F)CC1 ZINC000226600360 664517479 /nfs/dbraw/zinc/51/74/79/664517479.db2.gz FWDLIFOJRYGLKN-UHFFFAOYSA-N 0 0 311.279 0.333 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H](O)C1CCOCC1 ZINC000740971678 664547624 /nfs/dbraw/zinc/54/76/24/664547624.db2.gz FPYYADQZVSLBEI-TZMCWYRMSA-N 0 0 311.378 0.906 10 30 DCEERN C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)cc1 ZINC000731130289 664837062 /nfs/dbraw/zinc/83/70/62/664837062.db2.gz KOPQURISNNWWMJ-CYBMUJFWSA-N 0 0 302.330 0.932 10 30 DCEERN CC(C)COCCC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000731863374 664886692 /nfs/dbraw/zinc/88/66/92/664886692.db2.gz VCYYLDSMTXILJO-CCEZHUSRSA-N 0 0 309.366 0.692 10 30 DCEERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732648193 664949939 /nfs/dbraw/zinc/94/99/39/664949939.db2.gz AFYKSSFDLJPJRS-LBPRGKRZSA-N 0 0 303.322 0.746 10 30 DCEERN N#C[C@H]1CN(S(=O)(=O)c2cncc(F)c2)CCN1C1CC1 ZINC000732669785 664951022 /nfs/dbraw/zinc/95/10/22/664951022.db2.gz RCGDZUCWEBFEKD-LBPRGKRZSA-N 0 0 310.354 0.582 10 30 DCEERN N#C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)CCN1C1CC1 ZINC000732678607 664951159 /nfs/dbraw/zinc/95/11/59/664951159.db2.gz HLPJGWZNNCDARC-CQSZACIVSA-N 0 0 313.361 0.010 10 30 DCEERN C[C@H]1CCCCN1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732669794 664951172 /nfs/dbraw/zinc/95/11/72/664951172.db2.gz RIFYRQUAKOADLB-JSGCOSHPSA-N 0 0 312.439 0.778 10 30 DCEERN C#CCN1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 ZINC000733163496 665078311 /nfs/dbraw/zinc/07/83/11/665078311.db2.gz MNKDOOKCPRISJQ-UHFFFAOYSA-N 0 0 306.797 0.949 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)O[C@H](C#N)C(C)(C)C)c2=O ZINC000154249291 665109516 /nfs/dbraw/zinc/10/95/16/665109516.db2.gz YLNLHDZHTALBQE-SNVBAGLBSA-N 0 0 303.322 0.611 10 30 DCEERN C#CCCNC(=O)C1CCC(NC(=O)COCCOC)CC1 ZINC000733288114 666474351 /nfs/dbraw/zinc/47/43/51/666474351.db2.gz ZXTUKJJYWYPPLW-UHFFFAOYSA-N 0 0 310.394 0.464 10 30 DCEERN C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000733322950 666483721 /nfs/dbraw/zinc/48/37/21/666483721.db2.gz YLDDWMQZHODGSW-UHFFFAOYSA-N 0 0 301.389 0.782 10 30 DCEERN C#CCCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000733357441 666503688 /nfs/dbraw/zinc/50/36/88/666503688.db2.gz RZSRORPMTLIOIQ-UHFFFAOYSA-N 0 0 301.350 0.035 10 30 DCEERN N#CCOc1ccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000733457478 666745364 /nfs/dbraw/zinc/74/53/64/666745364.db2.gz YKKVJQRPVITLHB-UHFFFAOYSA-N 0 0 317.261 0.832 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000733672824 666795126 /nfs/dbraw/zinc/79/51/26/666795126.db2.gz CGKWKMJSCCHJHD-UHFFFAOYSA-N 0 0 301.346 0.601 10 30 DCEERN C=C(COC(=O)c1cccc(OCC(N)=O)c1)C(=O)OCC ZINC000734028148 666836960 /nfs/dbraw/zinc/83/69/60/666836960.db2.gz CDPZBNRHNNBGBA-UHFFFAOYSA-N 0 0 307.302 0.827 10 30 DCEERN N#CCOc1ccc(Cl)cc1CN1CCO[C@H](C(N)=O)C1 ZINC000735310408 666977434 /nfs/dbraw/zinc/97/74/34/666977434.db2.gz ZPBGMHMXFKKOOP-ZDUSSCGKSA-N 0 0 309.753 0.928 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2nccnc2C#N)C1 ZINC000702852568 667011168 /nfs/dbraw/zinc/01/11/68/667011168.db2.gz STUUWPMMCJWJFB-JQWIXIFHSA-N 0 0 319.365 0.988 10 30 DCEERN C#Cc1cccc(NC(=O)CNS(=O)(=O)N(C)C2CC2)c1 ZINC000736329056 667147531 /nfs/dbraw/zinc/14/75/31/667147531.db2.gz CNVBTMRUNCKZIO-UHFFFAOYSA-N 0 0 307.375 0.535 10 30 DCEERN CCc1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[nH]n1 ZINC000738477992 667675570 /nfs/dbraw/zinc/67/55/70/667675570.db2.gz BIPVANPYOOYKQE-AWEZNQCLSA-N 0 0 302.382 0.854 10 30 DCEERN N#Cc1ccccc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886074791 667729270 /nfs/dbraw/zinc/72/92/70/667729270.db2.gz ZXIDPLMFYYQVPM-KRWDZBQOSA-N 0 0 314.389 0.320 10 30 DCEERN CCOc1ccc(F)c(C(=O)OCC(=O)NCCC#N)c1N ZINC000741040108 667757593 /nfs/dbraw/zinc/75/75/93/667757593.db2.gz CXUVEESMHFUNBH-UHFFFAOYSA-N 0 0 309.297 0.993 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000123812502 667854618 /nfs/dbraw/zinc/85/46/18/667854618.db2.gz IFRHZKDAFJFWHL-UHFFFAOYSA-N 0 0 324.340 0.474 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC000718550045 685305615 /nfs/dbraw/zinc/30/56/15/685305615.db2.gz JCMPDYAUYDHGTH-GFCCVEGCSA-N 0 0 300.311 0.127 10 30 DCEERN COC[C@@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)OC ZINC000720020506 685311964 /nfs/dbraw/zinc/31/19/64/685311964.db2.gz FCRLJISYSFGMQR-LLVKDONJSA-N 0 0 302.327 0.637 10 30 DCEERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(C#CCO)c1 ZINC000386943796 685250660 /nfs/dbraw/zinc/25/06/60/685250660.db2.gz RRPPILIXAWZGJO-SWLSCSKDSA-N 0 0 300.358 0.756 10 30 DCEERN C=CCNC(=O)CNC(=O)c1nscc1Br ZINC000404782359 774140449 /nfs/dbraw/zinc/14/04/49/774140449.db2.gz JXZQXJOOBJFRBC-UHFFFAOYSA-N 0 0 304.169 0.938 10 30 DCEERN C#CCC(CC#C)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000278712721 214346538 /nfs/dbraw/zinc/34/65/38/214346538.db2.gz SFWFRCIDVKMAGQ-OAHLLOKOSA-N 0 0 302.374 0.499 10 30 DCEERN CN1CCO[C@H](CNC(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000170923780 529789322 /nfs/dbraw/zinc/78/93/22/529789322.db2.gz NUNBWLYLAHZOMY-OAHLLOKOSA-N 0 0 318.377 0.719 10 30 DCEERN CNC(=O)COc1cccc(CC(=O)N[C@@H](C#N)C2CC2)c1 ZINC000122862065 529866680 /nfs/dbraw/zinc/86/66/80/529866680.db2.gz ATWSAXVMFCCUKA-AWEZNQCLSA-N 0 0 301.346 0.772 10 30 DCEERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)C(C)C ZINC000179078203 529895864 /nfs/dbraw/zinc/89/58/64/529895864.db2.gz OIMNMAJUUVLREW-ZDUSSCGKSA-N 0 0 316.361 0.692 10 30 DCEERN CNC(=O)c1ccn([C@@H]2CCCN(c3cnc(C#N)cn3)C2)n1 ZINC000275726630 529952241 /nfs/dbraw/zinc/95/22/41/529952241.db2.gz UHXNADYGQJXMGJ-GFCCVEGCSA-N 0 0 311.349 0.746 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177626040 198753529 /nfs/dbraw/zinc/75/35/29/198753529.db2.gz ZPALNBBMNUFGFJ-CYBMUJFWSA-N 0 0 309.329 0.329 10 30 DCEERN C[C@H]1CCC[C@](C#N)(NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000116810282 236921165 /nfs/dbraw/zinc/92/11/65/236921165.db2.gz AZOKZKZWQSRNCB-BONVTDFDSA-N 0 0 306.366 0.905 10 30 DCEERN Cc1cc(N2CCC[C@@H](NC(=O)C(C)(C)C#N)C2=O)n(C)n1 ZINC000174997281 237175268 /nfs/dbraw/zinc/17/52/68/237175268.db2.gz KPOKMAHNNOKIRN-LLVKDONJSA-N 0 0 303.366 0.890 10 30 DCEERN CCn1cc([C@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)cn1 ZINC000189223179 237391510 /nfs/dbraw/zinc/39/15/10/237391510.db2.gz FGHGNOJQGJOOCF-CYBMUJFWSA-N 0 0 324.406 0.910 10 30 DCEERN Cn1nccc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000153827130 291208700 /nfs/dbraw/zinc/20/87/00/291208700.db2.gz LFWWLOSYLHSIIU-UHFFFAOYSA-N 0 0 313.317 0.425 10 30 DCEERN C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCN1CCO ZINC000188718893 200292616 /nfs/dbraw/zinc/29/26/16/200292616.db2.gz FFDNFTDXUBDJOQ-ZDUSSCGKSA-N 0 0 323.418 0.386 10 30 DCEERN CC(C)(C)N(CCS(=O)(=O)c1cccc(C#N)c1)CC(N)=O ZINC000156870470 291226301 /nfs/dbraw/zinc/22/63/01/291226301.db2.gz NESIBFOGHSCNKB-UHFFFAOYSA-N 0 0 323.418 0.918 10 30 DCEERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCc2cncnc2C1 ZINC000329318860 238612250 /nfs/dbraw/zinc/61/22/50/238612250.db2.gz IIRQDPSFQARXHD-NSHDSACASA-N 0 0 315.377 0.760 10 30 DCEERN COc1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)on1 ZINC000329681319 238649309 /nfs/dbraw/zinc/64/93/09/238649309.db2.gz WWKPZUSQAPOSAP-UHFFFAOYSA-N 0 0 315.395 0.831 10 30 DCEERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000329618886 238641896 /nfs/dbraw/zinc/64/18/96/238641896.db2.gz QRAPMDVQBWRKFO-HZSPNIEDSA-N 0 0 313.398 0.111 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCOCC(F)F)CCN1C1CC1 ZINC000365016553 239124604 /nfs/dbraw/zinc/12/46/04/239124604.db2.gz LGHDECKGGMVDRL-NSHDSACASA-N 0 0 302.325 0.650 10 30 DCEERN CN(C(=O)CN1CCN2CCOC[C@H]2C1)C1(C#N)CCCCC1 ZINC000368814373 239160962 /nfs/dbraw/zinc/16/09/62/239160962.db2.gz RFWTXRGVJYAUHV-OAHLLOKOSA-N 0 0 320.437 0.688 10 30 DCEERN N#C[C@H]1CN(C(=O)CSc2nncs2)CCN1C1CC1 ZINC000370974547 239179230 /nfs/dbraw/zinc/17/92/30/239179230.db2.gz UQSYREPBPGNQOA-JTQLQIEISA-N 0 0 309.420 0.829 10 30 DCEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2CCO)CCN1C1CC1 ZINC000376053139 239224481 /nfs/dbraw/zinc/22/44/81/239224481.db2.gz COEFDIFLRSRUNG-CFVMTHIKSA-N 0 0 306.410 0.919 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C(N)=O ZINC000408032455 239259839 /nfs/dbraw/zinc/25/98/39/239259839.db2.gz XEWYNCSMMRHMND-VXGBXAGGSA-N 0 0 313.423 0.843 10 30 DCEERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C#N)cn2C)O1 ZINC000091630182 193081511 /nfs/dbraw/zinc/08/15/11/193081511.db2.gz NMQSKZQFRXDQQB-DGCLKSJQSA-N 0 0 304.350 0.262 10 30 DCEERN N#Cc1ccc(NC(=O)CCN2CCOC[C@H]2C(N)=O)cc1 ZINC000092229932 193177498 /nfs/dbraw/zinc/17/74/98/193177498.db2.gz 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533488241 /nfs/dbraw/zinc/48/82/41/533488241.db2.gz MVZFZCDLDQHWDM-SNVBAGLBSA-N 0 0 321.299 0.786 10 30 DCEERN N#Cc1cccnc1N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000042677131 395747805 /nfs/dbraw/zinc/74/78/05/395747805.db2.gz ILBQQSZNNKAAJF-UHFFFAOYSA-N 0 0 321.406 0.416 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113298510 395829162 /nfs/dbraw/zinc/82/91/62/395829162.db2.gz FNJRBKMISXIGJG-LLVKDONJSA-N 0 0 303.347 0.443 10 30 DCEERN COC(=O)CCCCCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000054359335 395897798 /nfs/dbraw/zinc/89/77/98/395897798.db2.gz OKZCKWGFSUCVIT-UHFFFAOYSA-N 0 0 308.338 0.101 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000055147710 395912088 /nfs/dbraw/zinc/91/20/88/395912088.db2.gz OTOIBNOFIMDFKY-UHFFFAOYSA-N 0 0 322.321 0.248 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000273347183 395914805 /nfs/dbraw/zinc/91/48/05/395914805.db2.gz BAVFHIBTXVMHGJ-LLVKDONJSA-N 0 0 308.334 0.226 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000273540177 395928279 /nfs/dbraw/zinc/92/82/79/395928279.db2.gz SWQSAWCWFKWMTC-SECBINFHSA-N 0 0 314.363 0.009 10 30 DCEERN N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCOCC2)c1 ZINC000274331015 395939388 /nfs/dbraw/zinc/93/93/88/395939388.db2.gz NBIMDDGLZWWPIK-GFCCVEGCSA-N 0 0 306.322 0.571 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](CCCC)C(=O)OC)CC1 ZINC000067226423 396022689 /nfs/dbraw/zinc/02/26/89/396022689.db2.gz WOWJMLGFMLKRDZ-AWEZNQCLSA-N 0 0 311.426 0.638 10 30 DCEERN N#Cc1cccnc1N1CCN(CC(=O)NCC2CCC2)CC1 ZINC000066491739 396008802 /nfs/dbraw/zinc/00/88/02/396008802.db2.gz ZJRNYCMGHFBBRG-UHFFFAOYSA-N 0 0 313.405 0.992 10 30 DCEERN Cn1cc(N2CCC[C@H](NS(=O)(=O)CC3(C#N)CC3)C2)cn1 ZINC000183932520 396278161 /nfs/dbraw/zinc/27/81/61/396278161.db2.gz MXHPRQJCWMBUOO-LBPRGKRZSA-N 0 0 323.422 0.612 10 30 DCEERN CC(C)CC[C@](C)(O)CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000077235334 396215347 /nfs/dbraw/zinc/21/53/47/396215347.db2.gz RNCQQFNJVXJGLY-HNNXBMFYSA-N 0 0 308.382 0.555 10 30 DCEERN CN1CCO[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184278032 396289260 /nfs/dbraw/zinc/28/92/60/396289260.db2.gz BNQCEORHHLSBSQ-ZDUSSCGKSA-N 0 0 312.333 0.408 10 30 DCEERN CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000185990681 396338535 /nfs/dbraw/zinc/33/85/35/396338535.db2.gz SNSVWUQKWQNYDL-UHFFFAOYSA-N 0 0 315.782 0.968 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190665009 396409538 /nfs/dbraw/zinc/40/95/38/396409538.db2.gz ZWMSUQYZYANJKT-NSHDSACASA-N 0 0 314.345 0.542 10 30 DCEERN CC(C)(C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000192654644 396434328 /nfs/dbraw/zinc/43/43/28/396434328.db2.gz QEXGNTQYJUDIEG-UHFFFAOYSA-N 0 0 312.333 0.992 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NCCO[C@H]2CC2(F)F)cn1 ZINC000594840205 396525923 /nfs/dbraw/zinc/52/59/23/396525923.db2.gz MUOXAMUQMIXRBG-JTQLQIEISA-N 0 0 303.290 0.656 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000581397338 396550964 /nfs/dbraw/zinc/55/09/64/396550964.db2.gz PSVBWIGJLDQVDL-JTQLQIEISA-N 0 0 315.395 0.368 10 30 DCEERN Cc1ccc(C#N)c(N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)n1 ZINC000585790019 396655942 /nfs/dbraw/zinc/65/59/42/396655942.db2.gz HZQLTARGNXAHEO-KGLIPLIRSA-N 0 0 310.361 0.701 10 30 DCEERN CCN(CC(C)(C)O)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862937 396669818 /nfs/dbraw/zinc/66/98/18/396669818.db2.gz FBXXAMABOZGJCQ-UHFFFAOYSA-N 0 0 321.352 0.933 10 30 DCEERN N#Cc1cccnc1N1CCN(C(=O)C2(O)CCCC2)CC1 ZINC000299237387 396711919 /nfs/dbraw/zinc/71/19/19/396711919.db2.gz UHRUEVDFPNCMFP-UHFFFAOYSA-N 0 0 300.362 0.907 10 30 DCEERN CCS(=O)(=O)N1CC(CNc2nc3ccccn3c2C#N)C1 ZINC000302601085 396721358 /nfs/dbraw/zinc/72/13/58/396721358.db2.gz YNPDAAZFCWNIRS-UHFFFAOYSA-N 0 0 319.390 0.899 10 30 DCEERN N#Cc1ccsc1NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000590254855 396748671 /nfs/dbraw/zinc/74/86/71/396748671.db2.gz GXFHWVYOMCJKIA-AWEZNQCLSA-N 0 0 318.358 0.297 10 30 DCEERN Cc1ncc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)cc1C#N ZINC000312586444 396766356 /nfs/dbraw/zinc/76/63/56/396766356.db2.gz QGXSNSBVCOMNNY-SECBINFHSA-N 0 0 309.269 0.463 10 30 DCEERN N#Cc1ccc(CN2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)c(F)c1 ZINC000617675231 396768892 /nfs/dbraw/zinc/76/88/92/396768892.db2.gz VCRQBDNMPMDDQN-STQMWFEESA-N 0 0 303.293 0.985 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1ccc(C)c(F)c1F ZINC000625112314 396773974 /nfs/dbraw/zinc/77/39/74/396773974.db2.gz YTLBCVLNBAWSAZ-UHFFFAOYSA-N 0 0 304.318 0.854 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)CCO1 ZINC000611128977 396821785 /nfs/dbraw/zinc/82/17/85/396821785.db2.gz LZIWKKJNIRRMAY-ZDUSSCGKSA-N 0 0 301.350 0.830 10 30 DCEERN N#Cc1ccc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)c(F)c1 ZINC000611196725 396832150 /nfs/dbraw/zinc/83/21/50/396832150.db2.gz UUGIICFCQDDBTD-LLVKDONJSA-N 0 0 305.313 0.650 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cscn2)C1=O ZINC000617827795 396838822 /nfs/dbraw/zinc/83/88/22/396838822.db2.gz BNHBNZAGMRREBS-MRVPVSSYSA-N 0 0 322.346 0.297 10 30 DCEERN CS(=O)(=O)N1CC[C@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000611073686 396812824 /nfs/dbraw/zinc/81/28/24/396812824.db2.gz HUHBCKXFTAKHKS-CQSZACIVSA-N 0 0 321.402 0.498 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000611691126 396911245 /nfs/dbraw/zinc/91/12/45/396911245.db2.gz MOEAKHCMZNFZRM-BFHYXJOUSA-N 0 0 310.394 0.769 10 30 DCEERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000042747319 300036112 /nfs/dbraw/zinc/03/61/12/300036112.db2.gz WUSRLFVFCOKRRA-CMPLNLGQSA-N 0 0 307.375 0.833 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CC(=O)NC)CC1 ZINC000611769496 396926663 /nfs/dbraw/zinc/92/66/63/396926663.db2.gz QPZVFTBKRHQKED-CQSZACIVSA-N 0 0 309.410 0.832 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000611786610 396929485 /nfs/dbraw/zinc/92/94/85/396929485.db2.gz QNXPCFVYUYILOH-OLZOCXBDSA-N 0 0 309.410 0.973 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000597410515 396967808 /nfs/dbraw/zinc/96/78/08/396967808.db2.gz OKFLQKXCSLDPTO-LBPRGKRZSA-N 0 0 309.326 0.378 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@](CO)(COC)C1 ZINC000625633709 396961614 /nfs/dbraw/zinc/96/16/14/396961614.db2.gz UDPGUNCFXDDBLR-INIZCTEOSA-N 0 0 312.410 0.562 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000625645745 396965576 /nfs/dbraw/zinc/96/55/76/396965576.db2.gz IBMISWBQENSRSX-GFCCVEGCSA-N 0 0 312.410 0.703 10 30 DCEERN C=CCOCCCNC(=O)c1nc(S(C)(=O)=O)ncc1C ZINC000618525202 396988199 /nfs/dbraw/zinc/98/81/99/396988199.db2.gz DNBNBLSFYLHLMW-UHFFFAOYSA-N 0 0 313.379 0.511 10 30 DCEERN C=C[C@@H](O)C(=O)N[C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000597519608 396999860 /nfs/dbraw/zinc/99/98/60/396999860.db2.gz FIXBGTZXFPXTMI-YPMHNXCESA-N 0 0 309.318 0.581 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000597559258 397014244 /nfs/dbraw/zinc/01/42/44/397014244.db2.gz RSDWGGQCNUPSME-WZRBSPASSA-N 0 0 300.424 0.825 10 30 DCEERN C=CCCCS(=O)(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000625689473 396977281 /nfs/dbraw/zinc/97/72/81/396977281.db2.gz YOOHUCADKWMZIA-LBPRGKRZSA-N 0 0 324.468 0.544 10 30 DCEERN CC#CC[C@H](CO)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000592111592 397097081 /nfs/dbraw/zinc/09/70/81/397097081.db2.gz JPHWMAFCQKSUAS-CYBMUJFWSA-N 0 0 310.350 0.891 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000618945691 397046939 /nfs/dbraw/zinc/04/69/39/397046939.db2.gz ZDQPQJBEUUARDY-SECBINFHSA-N 0 0 310.379 0.329 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)COCC(C)C ZINC000612413679 397047884 /nfs/dbraw/zinc/04/78/84/397047884.db2.gz DBSRGTOCRMQTHI-UONOGXRCSA-N 0 0 300.399 0.607 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(n2ccnn2)CC1 ZINC000612736056 397130679 /nfs/dbraw/zinc/13/06/79/397130679.db2.gz RPDJTWBSYYONOH-CQSZACIVSA-N 0 0 305.382 0.913 10 30 DCEERN CC(=O)c1cccc(C#N)c1OCc1cc(=O)n(C)c(=O)n1C ZINC000631027684 397158104 /nfs/dbraw/zinc/15/81/04/397158104.db2.gz DJSACCULHABEQM-UHFFFAOYSA-N 0 0 313.313 0.737 10 30 DCEERN C[C@H](C(=O)N1CCC([C@@H]2CCOC2)CC1)n1cnc(C#N)n1 ZINC000619615775 397160611 /nfs/dbraw/zinc/16/06/11/397160611.db2.gz WAMNTMLBFRVSIY-DGCLKSJQSA-N 0 0 303.366 0.986 10 30 DCEERN C=CCn1cc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)nn1 ZINC000598167203 397182612 /nfs/dbraw/zinc/18/26/12/397182612.db2.gz VAQUDMGAHYAZFA-HNNXBMFYSA-N 0 0 322.365 0.695 10 30 DCEERN C=C(C)C[C@H](NC(=O)CS(=O)(=O)CC(C)C)C(=O)OC ZINC000601779614 397242845 /nfs/dbraw/zinc/24/28/45/397242845.db2.gz UUWPMKJVYYAPMX-NSHDSACASA-N 0 0 305.396 0.681 10 30 DCEERN C=C(C)C[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)OC ZINC000601779600 397243347 /nfs/dbraw/zinc/24/33/47/397243347.db2.gz URPFBEXSNNKXSO-LBPRGKRZSA-N 0 0 317.407 0.968 10 30 DCEERN C=C(C)C[C@H](NC(=O)CNC(=O)c1ccoc1C)C(=O)OC ZINC000601787221 397245010 /nfs/dbraw/zinc/24/50/10/397245010.db2.gz KVBPUTNAHBFYEB-LBPRGKRZSA-N 0 0 308.334 0.942 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1cccnc1 ZINC000613990295 397358521 /nfs/dbraw/zinc/35/85/21/397358521.db2.gz QMPQURBVWOCPKI-JKSUJKDBSA-N 0 0 319.405 0.820 10 30 DCEERN C=CCn1c(COC)nnc1N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599223452 397367355 /nfs/dbraw/zinc/36/73/55/397367355.db2.gz VHJMHPQDIVDXES-MNOVXSKESA-N 0 0 310.354 0.377 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC000602322797 397371697 /nfs/dbraw/zinc/37/16/97/397371697.db2.gz WQRPOEYCENKRLZ-TYNCELHUSA-N 0 0 312.366 0.694 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCn2c(CC3CC3)nnc2C1 ZINC000593059834 397318423 /nfs/dbraw/zinc/31/84/23/397318423.db2.gz YUQOVPFFNLSEAX-UHFFFAOYSA-N 0 0 318.381 0.058 10 30 DCEERN C=CCN(CCC#N)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000602153190 397325171 /nfs/dbraw/zinc/32/51/71/397325171.db2.gz LMJBFXQWYKFZLR-CHWSQXEVSA-N 0 0 301.350 0.344 10 30 DCEERN CC(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000599310686 397398953 /nfs/dbraw/zinc/39/89/53/397398953.db2.gz ZUNMLWRJVQXOHH-ZFWWWQNUSA-N 0 0 309.410 0.610 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CS(=O)(=O)N(CC)CC ZINC000424934543 397403950 /nfs/dbraw/zinc/40/39/50/397403950.db2.gz VRCZVIGMCKFWGU-RYUDHWBXSA-N 0 0 304.412 0.365 10 30 DCEERN C=CCCn1cc(C[S@@](=O)CC(=O)NCC(F)(F)F)nn1 ZINC000593939462 397484388 /nfs/dbraw/zinc/48/43/88/397484388.db2.gz YTDHPHYCUYVLNR-OAQYLSRUSA-N 0 0 324.328 0.781 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000614586305 397476411 /nfs/dbraw/zinc/47/64/11/397476411.db2.gz OXASJORHJBRQHA-RDBSUJKOSA-N 0 0 314.426 0.732 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(C)(C)O2)CC1 ZINC000492875936 397525102 /nfs/dbraw/zinc/52/51/02/397525102.db2.gz UORIRRULAWIIAS-ZDUSSCGKSA-N 0 0 309.410 0.390 10 30 DCEERN C=CCOC[C@H](NC(=O)c1ncc2c(F)cccn21)C(=O)OC ZINC000599874713 397533604 /nfs/dbraw/zinc/53/36/04/397533604.db2.gz VJTVCYSNCLNPRO-NSHDSACASA-N 0 0 321.308 0.947 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1ncc2c(F)cccn21)C(=O)OC ZINC000599874712 397533881 /nfs/dbraw/zinc/53/38/81/397533881.db2.gz VJTVCYSNCLNPRO-LLVKDONJSA-N 0 0 321.308 0.947 10 30 DCEERN CC#CCNCc1cn([C@@H](C)c2nc(C(=O)OC)co2)nn1 ZINC000603257365 397589653 /nfs/dbraw/zinc/58/96/53/397589653.db2.gz NCTBCNSZKFPSRO-JTQLQIEISA-N 0 0 303.322 0.775 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCOC[C@H]1C)C(=O)OC ZINC000603395017 397605910 /nfs/dbraw/zinc/60/59/10/397605910.db2.gz GGPUDUCWTXMLAA-GRYCIOLGSA-N 0 0 305.396 0.839 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)C2CC2)CC1 ZINC000604183664 397633173 /nfs/dbraw/zinc/63/31/73/397633173.db2.gz OUSGYHKPOXXJCC-CYBMUJFWSA-N 0 0 308.426 0.662 10 30 DCEERN C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1CCN(C)CC1 ZINC000609241132 397764735 /nfs/dbraw/zinc/76/47/35/397764735.db2.gz VOBGQWKGUBCGLK-LBPRGKRZSA-N 0 0 304.369 0.949 10 30 DCEERN Cc1nnc(CN2CCN(C(=O)c3ccc(C#N)cn3)CC2)[nH]1 ZINC000609880413 397795591 /nfs/dbraw/zinc/79/55/91/397795591.db2.gz MNIKBVIMQKIMFG-UHFFFAOYSA-N 0 0 311.349 0.338 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000610500851 397827241 /nfs/dbraw/zinc/82/72/41/397827241.db2.gz FGEQRQWYUVWWMX-UHFFFAOYSA-N 0 0 319.386 0.695 10 30 DCEERN N#Cc1cc(S(=O)(=O)NCCCn2ccnn2)ccc1F ZINC000127178211 158271465 /nfs/dbraw/zinc/27/14/65/158271465.db2.gz AXECVWZFHRAWSZ-UHFFFAOYSA-N 0 0 309.326 0.657 10 30 DCEERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000166506853 158366045 /nfs/dbraw/zinc/36/60/45/158366045.db2.gz CULDIRDBSBNJNX-JTQLQIEISA-N 0 0 309.347 0.527 10 30 DCEERN Cn1ccnc(NC(=O)NCCOc2ccc(C#N)cc2)c1=O ZINC000183792960 158502684 /nfs/dbraw/zinc/50/26/84/158502684.db2.gz SIHJHEQYCNWFJP-UHFFFAOYSA-N 0 0 313.317 0.852 10 30 DCEERN CCN(C)C(=O)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000186207340 158528938 /nfs/dbraw/zinc/52/89/38/158528938.db2.gz GJHGEUXTHPAJPM-UHFFFAOYSA-N 0 0 316.361 0.809 10 30 DCEERN N#Cc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1Cl ZINC000194957141 158602622 /nfs/dbraw/zinc/60/26/22/158602622.db2.gz YCIWAOHGMZPBAQ-UHFFFAOYSA-N 0 0 320.736 0.499 10 30 DCEERN Cc1nn([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000408010966 160010729 /nfs/dbraw/zinc/01/07/29/160010729.db2.gz YTEITDIVNFWTNF-ZYHUDNBSSA-N 0 0 310.379 0.270 10 30 DCEERN Cc1nn(C[C@H]2CCN(S(C)(=O)=O)C2)c(=O)c(C#N)c1C ZINC000408146066 160047787 /nfs/dbraw/zinc/04/77/87/160047787.db2.gz MVCMZJMCXGDPRK-NSHDSACASA-N 0 0 310.379 0.013 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000408182520 160054573 /nfs/dbraw/zinc/05/45/73/160054573.db2.gz KQIDKWLXGOAIFX-LBPRGKRZSA-N 0 0 306.391 0.570 10 30 DCEERN N#Cc1ncccc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408226863 160064172 /nfs/dbraw/zinc/06/41/72/160064172.db2.gz PQVFAKSHACTNLB-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN Cc1oc(NC(=O)CN2C[C@@H]3[C@H](C2)OCCN3C)c(C#N)c1C ZINC000408294295 160078319 /nfs/dbraw/zinc/07/83/19/160078319.db2.gz LOEPJVPVCLSBJX-KGLIPLIRSA-N 0 0 318.377 0.721 10 30 DCEERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000091414178 286935741 /nfs/dbraw/zinc/93/57/41/286935741.db2.gz SHLZNUGDVYZANL-UHFFFAOYSA-N 0 0 300.318 0.091 10 30 DCEERN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCCO1 ZINC000246170977 287078204 /nfs/dbraw/zinc/07/82/04/287078204.db2.gz HOHUGHAGNXFLFL-TZMCWYRMSA-N 0 0 315.377 0.954 10 30 DCEERN N#Cc1ccc(NCC(=O)NC2(CCO)CCOCC2)nc1 ZINC000613239551 412315541 /nfs/dbraw/zinc/31/55/41/412315541.db2.gz BYEJHSJXKXEJBW-UHFFFAOYSA-N 0 0 304.350 0.413 10 30 DCEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1CC(=O)NC1=O ZINC000342375132 415158101 /nfs/dbraw/zinc/15/81/01/415158101.db2.gz PBKBDQXKIPFUAH-UHFFFAOYSA-N 0 0 321.333 0.228 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000265538781 415130909 /nfs/dbraw/zinc/13/09/09/415130909.db2.gz JOXAOBMFCVMQAI-UHFFFAOYSA-N 0 0 319.361 0.914 10 30 DCEERN C=CCCC[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000342738251 415275343 /nfs/dbraw/zinc/27/53/43/415275343.db2.gz UTRFWQMESNGORE-CYBMUJFWSA-N 0 0 321.425 0.693 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CC(N)=O)cc2C1=O ZINC000343061290 415427671 /nfs/dbraw/zinc/42/76/71/415427671.db2.gz CUPHUUXQHARWEL-UHFFFAOYSA-N 0 0 301.302 0.026 10 30 DCEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCO[C@H](C#N)C1 ZINC000074674824 415431472 /nfs/dbraw/zinc/43/14/72/415431472.db2.gz DRTTWVOWEMKPRJ-ZWNOBZJWSA-N 0 0 305.382 0.902 10 30 DCEERN C=CCCCN(C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076735273 415456655 /nfs/dbraw/zinc/45/66/55/415456655.db2.gz BHYGWBPAJPUHTH-CHWSQXEVSA-N 0 0 302.440 0.918 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC)CO)cc2C1=O ZINC000343213109 415504977 /nfs/dbraw/zinc/50/49/77/415504977.db2.gz DEWCVJRKABCMSX-NSHDSACASA-N 0 0 302.330 0.969 10 30 DCEERN C=CCOc1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1 ZINC000285870708 415621209 /nfs/dbraw/zinc/62/12/09/415621209.db2.gz IQGUBNMJPLVPMH-UHFFFAOYSA-N 0 0 303.318 0.419 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CN(C)C1=O ZINC000287520588 415670384 /nfs/dbraw/zinc/67/03/84/415670384.db2.gz VGECXQVUVDQVGX-CQSZACIVSA-N 0 0 313.357 0.631 10 30 DCEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000333545363 415679030 /nfs/dbraw/zinc/67/90/30/415679030.db2.gz IOASKVJQDJLDNG-ZDEQEGDKSA-N 0 0 304.354 0.600 10 30 DCEERN C=CCNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114907988 415725476 /nfs/dbraw/zinc/72/54/76/415725476.db2.gz DGJCGPRFFLIYDW-UHFFFAOYSA-N 0 0 308.426 0.758 10 30 DCEERN N#CCc1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000119749541 415749369 /nfs/dbraw/zinc/74/93/69/415749369.db2.gz VRVGRKFVDPMTMJ-OAHLLOKOSA-N 0 0 318.377 0.567 10 30 DCEERN COC(=O)CN(CC#N)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000120648117 415779850 /nfs/dbraw/zinc/77/98/50/415779850.db2.gz SAWRHGOWQNOMAW-UHFFFAOYSA-N 0 0 313.313 0.527 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)Nc1nc(COC)cs1 ZINC000354604124 415806582 /nfs/dbraw/zinc/80/65/82/415806582.db2.gz IVMZXDAVHANBRO-UHFFFAOYSA-N 0 0 313.379 0.889 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1nnn(Cc2ccncc2)c1C ZINC000354786410 415818405 /nfs/dbraw/zinc/81/84/05/415818405.db2.gz JZFCUDNOXQPMEY-CYBMUJFWSA-N 0 0 301.350 0.697 10 30 DCEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000344046047 415827924 /nfs/dbraw/zinc/82/79/24/415827924.db2.gz MGHUNHANVOHSAY-GFCCVEGCSA-N 0 0 318.329 0.795 10 30 DCEERN C=CCCN(C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337141569 415917195 /nfs/dbraw/zinc/91/71/95/415917195.db2.gz NPLAIICTUVHUKV-NWDGAFQWSA-N 0 0 303.428 0.922 10 30 DCEERN C=CCSCCNC(=O)C(=O)N(CC)Cc1cn(C)nn1 ZINC000355301264 415859272 /nfs/dbraw/zinc/85/92/72/415859272.db2.gz TXUQAUTULBTKAK-UHFFFAOYSA-N 0 0 311.411 0.199 10 30 DCEERN C=CCCOCCNC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000155282660 415996537 /nfs/dbraw/zinc/99/65/37/415996537.db2.gz JVAOGFFXDJJFJC-UHFFFAOYSA-N 0 0 312.391 0.965 10 30 DCEERN CN1CC[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1=O ZINC000173264835 416055101 /nfs/dbraw/zinc/05/51/01/416055101.db2.gz BUQDTPJQFSPGJQ-ZDUSSCGKSA-N 0 0 302.334 0.467 10 30 DCEERN C=C[C@H](C)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000345261575 416067936 /nfs/dbraw/zinc/06/79/36/416067936.db2.gz VZIYSCNRYDRYOL-WDEREUQCSA-N 0 0 304.416 0.131 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000175836802 416115205 /nfs/dbraw/zinc/11/52/05/416115205.db2.gz LGIJXJRLJTYQNR-UHFFFAOYSA-N 0 0 315.333 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/nfs/dbraw/zinc/15/19/77/416151977.db2.gz NIVPYWLSKNUWQU-RWMBFGLXSA-N 0 0 307.354 0.433 10 30 DCEERN CN1C[C@H](NC(=O)NC[C@H]2COc3ccccc3O2)CCC1=O ZINC000329408311 416168922 /nfs/dbraw/zinc/16/89/22/416168922.db2.gz DEMDJSKTJXHSCT-NEPJUHHUSA-N 0 0 319.361 0.951 10 30 DCEERN Cc1cc(N2CCC[C@@H](Nc3ccc(C#N)nn3)C2=O)n(C)n1 ZINC000179318983 416184162 /nfs/dbraw/zinc/18/41/62/416184162.db2.gz GCMNJRYXWIVGHM-GFCCVEGCSA-N 0 0 311.349 0.998 10 30 DCEERN C=CCNC(=O)CN1CCN(c2cc(C)nc(CC)n2)CC1 ZINC000341456751 416211032 /nfs/dbraw/zinc/21/10/32/416211032.db2.gz NDACOHREFIWTMB-UHFFFAOYSA-N 0 0 303.410 0.772 10 30 DCEERN CC(=O)N1CCN(C(=O)CNC(=O)c2cccnc2)C(C)(C)C1 ZINC000330673717 416228497 /nfs/dbraw/zinc/22/84/97/416228497.db2.gz YXQXSKNRQUQNTL-UHFFFAOYSA-N 0 0 318.377 0.856 10 30 DCEERN CN1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CC1=O ZINC000329272637 416160447 /nfs/dbraw/zinc/16/04/47/416160447.db2.gz AHLQGXKKSCMIHW-NSHDSACASA-N 0 0 315.439 0.264 10 30 DCEERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H]1CCCSC1 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CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000537319587 416553512 /nfs/dbraw/zinc/55/35/12/416553512.db2.gz XRFRJHXOXSTVFL-ZJUUUORDSA-N 0 0 323.378 0.218 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccn(C2CCOCC2)n1 ZINC000594709321 416566430 /nfs/dbraw/zinc/56/64/30/416566430.db2.gz AIKWGUVESCVPOM-LLVKDONJSA-N 0 0 321.381 1.047 10 30 DCEERN C=CCCn1cc(C(=O)NC[C@@H](CO)c2cccnc2)nn1 ZINC000424852979 416671998 /nfs/dbraw/zinc/67/19/98/416671998.db2.gz QDQMWKGXJRQTMR-ZDUSSCGKSA-N 0 0 301.350 0.755 10 30 DCEERN C=C(C)COCCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000631820371 416751830 /nfs/dbraw/zinc/75/18/30/416751830.db2.gz SQZHTWDNBLDOJB-UHFFFAOYSA-N 0 0 306.366 0.636 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000614678294 416691777 /nfs/dbraw/zinc/69/17/77/416691777.db2.gz ZBVISHHRQGJXJL-GDBMZVCRSA-N 0 0 310.394 0.865 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000614732130 416698755 /nfs/dbraw/zinc/69/87/55/416698755.db2.gz 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CC(=O)N[C@@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000136183011 667701363 /nfs/dbraw/zinc/70/13/63/667701363.db2.gz SMCQPGKTLTWCHK-CQSZACIVSA-N 0 0 314.341 0.894 10 30 DCEERN N#Cc1cc(F)ccc1N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886079436 667729815 /nfs/dbraw/zinc/72/98/15/667729815.db2.gz ABODUAVKRAHWCC-MRXNPFEDSA-N 0 0 318.352 0.464 10 30 DCEERN C#CCN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000742052714 667779635 /nfs/dbraw/zinc/77/96/35/667779635.db2.gz SJIARWGKARIVAE-UKRRQHHQSA-N 0 0 303.383 0.975 10 30 DCEERN CC(C)n1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 ZINC000742296587 667788213 /nfs/dbraw/zinc/78/82/13/667788213.db2.gz YFSZFWYZNOFFHG-ZDUSSCGKSA-N 0 0 323.422 0.825 10 30 DCEERN C=CCNC(=O)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000393854728 1157899774 /nfs/dbraw/zinc/89/97/74/1157899774.db2.gz YUUYZHJWBLGFJM-UHFFFAOYSA-N 0 0 307.375 0.224 10 30 DCEERN COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 ZINC000093249193 1175646299 /nfs/dbraw/zinc/64/62/99/1175646299.db2.gz 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529790513 /nfs/dbraw/zinc/79/05/13/529790513.db2.gz JYKVKMABEFVYCV-STQMWFEESA-N 0 0 315.439 0.661 10 30 DCEERN CN1CCc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc21 ZINC000408065403 529812669 /nfs/dbraw/zinc/81/26/69/529812669.db2.gz NQTPTENBUIETMC-UHFFFAOYSA-N 0 0 312.373 0.877 10 30 DCEERN CNC(=O)N[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000408254385 529890204 /nfs/dbraw/zinc/89/02/04/529890204.db2.gz DFHFFGUSJUVZEZ-ZDUSSCGKSA-N 0 0 321.425 0.675 10 30 DCEERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000179080247 529918844 /nfs/dbraw/zinc/91/88/44/529918844.db2.gz ZSPBJKHWBWGFAS-GFCCVEGCSA-N 0 0 302.334 0.384 10 30 DCEERN CN1CCCN(C(=O)NCc2ccc(OCC#N)cc2)CC1=O ZINC000188001695 530053549 /nfs/dbraw/zinc/05/35/49/530053549.db2.gz ZNHVZFRRQAVACC-UHFFFAOYSA-N 0 0 316.361 0.963 10 30 DCEERN CCCN(C(=O)c1cc(C#N)cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000080940805 192202193 /nfs/dbraw/zinc/20/21/93/192202193.db2.gz YXSPPNOFJWTGHN-LBPRGKRZSA-N 0 0 309.391 0.936 10 30 DCEERN 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/nfs/dbraw/zinc/25/75/25/239257525.db2.gz MJZHJWLBAQIGAI-GFCCVEGCSA-N 0 0 311.411 0.988 10 30 DCEERN Cc1cc([C@H]2CCCN(S(=O)(=O)N(C)CCC#N)C2)[nH]n1 ZINC000407976690 239258530 /nfs/dbraw/zinc/25/85/30/239258530.db2.gz MJZHJWLBAQIGAI-LBPRGKRZSA-N 0 0 311.411 0.988 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000425177558 240299444 /nfs/dbraw/zinc/29/94/44/240299444.db2.gz GZDXTCUBGAYTAA-AAEUAGOBSA-N 0 0 310.375 0.655 10 30 DCEERN N#CC1CCC(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000441681128 240532158 /nfs/dbraw/zinc/53/21/58/240532158.db2.gz WPEIIBFHWPSJRP-UHFFFAOYSA-N 0 0 311.363 0.987 10 30 DCEERN C=CCC[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000456755633 240930867 /nfs/dbraw/zinc/93/08/67/240930867.db2.gz KRRPCYCPCHWRKA-LLVKDONJSA-N 0 0 317.345 0.545 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000457844182 241043037 /nfs/dbraw/zinc/04/30/37/241043037.db2.gz IQIYRBFWNAMTCD-CYBMUJFWSA-N 0 0 317.455 0.976 10 30 DCEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408197846 299378265 /nfs/dbraw/zinc/37/82/65/299378265.db2.gz KCRVZSPGLQOBDH-QNWHQSFQSA-N 0 0 313.423 0.302 10 30 DCEERN C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C(=O)[O-])on1 ZINC000015672813 182011778 /nfs/dbraw/zinc/01/17/78/182011778.db2.gz FTOPGYKKIKMMPG-RYUDHWBXSA-N 0 0 319.361 0.623 10 30 biogenic DCEERN C=CCOC[C@H](NC(=O)c1cn2cccnc2n1)C(=O)OC ZINC000563804784 335020937 /nfs/dbraw/zinc/02/09/37/335020937.db2.gz WISYZHPXMRYXHK-NSHDSACASA-N 0 0 304.306 0.203 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cn2cccnc2n1)C(=O)OC ZINC000563804783 335021110 /nfs/dbraw/zinc/02/11/10/335021110.db2.gz WISYZHPXMRYXHK-LLVKDONJSA-N 0 0 304.306 0.203 10 30 DCEERN COC[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H]1CCCO1 ZINC000370635297 533055066 /nfs/dbraw/zinc/05/50/66/533055066.db2.gz OMUMGDKGMVKXEO-QLFBSQMISA-N 0 0 322.409 0.562 10 30 DCEERN COC(=O)[C@H]1CS(=O)(=O)CCN1CCCC(C)(C)C#N ZINC000129516586 291920862 /nfs/dbraw/zinc/92/08/62/291920862.db2.gz RHFAMOVFZADIGZ-LLVKDONJSA-N 0 0 302.396 0.588 10 30 DCEERN CN1C[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2C#N)C1=O ZINC000284352748 131072427 /nfs/dbraw/zinc/07/24/27/131072427.db2.gz ATEOQOOPNHLCFV-ZYHUDNBSSA-N 0 0 320.374 0.195 10 30 DCEERN N#Cc1c(N2CCC[C@@](O)(Cn3ccnn3)C2)nc2ccccn12 ZINC000284874629 131118519 /nfs/dbraw/zinc/11/85/19/131118519.db2.gz YWXISPSXVYLHLR-INIZCTEOSA-N 0 0 323.360 0.829 10 30 DCEERN C=CCNC(=O)CN1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000027903979 395695405 /nfs/dbraw/zinc/69/54/05/395695405.db2.gz GJOFUPMDPXGTBK-KRWDZBQOSA-N 0 0 317.433 0.510 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NCCCC)CC1 ZINC000042541403 395746496 /nfs/dbraw/zinc/74/64/96/395746496.db2.gz BZFORWYIGLBXMD-AWEZNQCLSA-N 0 0 310.442 0.211 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000042541475 395746198 /nfs/dbraw/zinc/74/61/98/395746198.db2.gz NAWQEXNBCKOUIL-HUUCEWRRSA-N 0 0 324.469 0.600 10 30 DCEERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccnc(C#N)c2)O1 ZINC000193752670 395778161 /nfs/dbraw/zinc/77/81/61/395778161.db2.gz VUSDDVYNCAEANU-STQMWFEESA-N 0 0 302.334 0.319 10 30 DCEERN COCCN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C ZINC000117370138 395852922 /nfs/dbraw/zinc/85/29/22/395852922.db2.gz IWXKXBAAMPMIPE-ZDUSSCGKSA-N 0 0 323.418 0.899 10 30 DCEERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H](C#N)C1CC1)C2=O ZINC000108828424 395793627 /nfs/dbraw/zinc/79/36/27/395793627.db2.gz MLXKHWIRZLESFO-XAGWURHQSA-N 0 0 318.377 0.905 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000273552268 395929404 /nfs/dbraw/zinc/92/94/04/395929404.db2.gz WJSGZGCJFUQIJR-JTQLQIEISA-N 0 0 318.420 0.600 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000273377661 395917157 /nfs/dbraw/zinc/91/71/57/395917157.db2.gz DEDZXKSGZAONQO-MRVPVSSYSA-N 0 0 312.395 0.827 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000273400937 395918827 /nfs/dbraw/zinc/91/88/27/395918827.db2.gz INOFLLVIHXOSIK-RYUDHWBXSA-N 0 0 304.346 0.854 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000273561326 395930808 /nfs/dbraw/zinc/93/08/08/395930808.db2.gz IDOWCQGVNGNTDI-CYBMUJFWSA-N 0 0 317.345 0.405 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000273420479 395919820 /nfs/dbraw/zinc/91/98/20/395919820.db2.gz MNTXDOYHBFEALL-CYBMUJFWSA-N 0 0 319.361 0.945 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000273507233 395926027 /nfs/dbraw/zinc/92/60/27/395926027.db2.gz RESQCLFUDAQVIK-ZDUSSCGKSA-N 0 0 323.397 0.274 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000273533801 395928075 /nfs/dbraw/zinc/92/80/75/395928075.db2.gz RHYVSNDWIOQYQA-MRVPVSSYSA-N 0 0 305.377 0.750 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccsc2)C1=O ZINC000053270429 395879928 /nfs/dbraw/zinc/87/99/28/395879928.db2.gz SYMLRIWFFYSAOZ-UHFFFAOYSA-N 0 0 321.358 0.384 10 30 DCEERN C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000248798553 395996741 /nfs/dbraw/zinc/99/67/41/395996741.db2.gz FNNDAKRTVJCTIH-OCCSQVGLSA-N 0 0 324.402 0.414 10 30 DCEERN CCOC(=O)CN1c2ccccc2C(=NNC(N)=S)C1=O ZINC000252631836 396023027 /nfs/dbraw/zinc/02/30/27/396023027.db2.gz VMWSZWHAFQXNJQ-UHFFFAOYSA-N 0 0 306.347 0.134 10 30 DCEERN C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC(C)(C)C ZINC000155488242 396052724 /nfs/dbraw/zinc/05/27/24/396052724.db2.gz NILIRFPSPCGEEO-LBPRGKRZSA-N 0 0 316.409 0.773 10 30 DCEERN Cc1oc(NC(=O)[C@H](C)N2C[C@@H](O)C[C@@H]2CO)c(C#N)c1C ZINC000249276301 396005553 /nfs/dbraw/zinc/00/55/53/396005553.db2.gz DBLLMAZHPVVTDL-WCQGTBRESA-N 0 0 307.350 0.523 10 30 DCEERN C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000171109999 396107111 /nfs/dbraw/zinc/10/71/11/396107111.db2.gz VWNZPBYWBYHOPJ-FZMZJTMJSA-N 0 0 301.346 0.972 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccnc(C#N)c2)C1 ZINC000280564239 396207656 /nfs/dbraw/zinc/20/76/56/396207656.db2.gz LDEFUVZESDOERH-LLVKDONJSA-N 0 0 308.363 0.107 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000077901030 396237084 /nfs/dbraw/zinc/23/70/84/396237084.db2.gz ATROYBAVZHPCDH-LBPRGKRZSA-N 0 0 307.375 0.766 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)NC[C@]1(CCO)CCOC1 ZINC000181401366 396238995 /nfs/dbraw/zinc/23/89/95/396238995.db2.gz RVAMVHKZPBZDLJ-AWEZNQCLSA-N 0 0 310.375 0.626 10 30 DCEERN N#Cc1ccc(N2CC[C@H](N3C[C@H](O)C[C@@H]3CO)C2=O)cc1 ZINC000184718910 396302913 /nfs/dbraw/zinc/30/29/13/396302913.db2.gz QDYXQDQFWWHQGR-KFWWJZLASA-N 0 0 301.346 0.091 10 30 DCEERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1 ZINC000185477186 396328560 /nfs/dbraw/zinc/32/85/60/396328560.db2.gz KQGNNQZNXFQWNJ-SNVBAGLBSA-N 0 0 324.344 0.992 10 30 DCEERN COC(=O)[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000186613960 396353309 /nfs/dbraw/zinc/35/33/09/396353309.db2.gz XVFKPNXVXMCSQP-AWEZNQCLSA-N 0 0 314.341 0.990 10 30 DCEERN CCN1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000190523038 396407033 /nfs/dbraw/zinc/40/70/33/396407033.db2.gz 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396756157 /nfs/dbraw/zinc/75/61/57/396756157.db2.gz CUWWLEKDEKJKGL-RDJZCZTQSA-N 0 0 319.405 0.726 10 30 DCEERN Cc1ncc(S(=O)(=O)N(CCO)CC(F)F)cc1C#N ZINC000313015262 396767859 /nfs/dbraw/zinc/76/78/59/396767859.db2.gz CIUQJZUMFWKEQE-UHFFFAOYSA-N 0 0 305.306 0.510 10 30 DCEERN C=C(C)[C@H](CO)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000611237154 396841559 /nfs/dbraw/zinc/84/15/59/396841559.db2.gz AEEGTPXAGCOBBS-KGLIPLIRSA-N 0 0 312.410 0.657 10 30 DCEERN Cc1onc(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1C#N ZINC000611528664 396882130 /nfs/dbraw/zinc/88/21/30/396882130.db2.gz ZJDNUFIFDHBSQO-ZDSQKVDBSA-N 0 0 302.334 0.523 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629918916 396883207 /nfs/dbraw/zinc/88/32/07/396883207.db2.gz FGZWRJJXXVKOFN-ZIAGYGMSSA-N 0 0 307.394 0.727 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000625557255 396922480 /nfs/dbraw/zinc/92/24/80/396922480.db2.gz NOHRGKRZRMGOCO-GFCCVEGCSA-N 0 0 309.410 0.819 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000618220503 396928087 /nfs/dbraw/zinc/92/80/87/396928087.db2.gz WHTXJPAWGYJAJB-IHRRRGAJSA-N 0 0 307.394 0.584 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000611874392 396941349 /nfs/dbraw/zinc/94/13/49/396941349.db2.gz IYKVYTASFPTBTM-TUVASFSCSA-N 0 0 322.405 0.579 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000611874390 396942045 /nfs/dbraw/zinc/94/20/45/396942045.db2.gz IYKVYTASFPTBTM-QPSCCSFWSA-N 0 0 322.405 0.579 10 30 DCEERN C=CCNC(=O)C[S@](=O)Cc1c(Br)cnn1C ZINC000600937090 396968112 /nfs/dbraw/zinc/96/81/12/396968112.db2.gz UWLHPIWGVBYXGI-QGZVFWFLSA-N 0 0 320.212 0.734 10 30 DCEERN Cn1cc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)nn1 ZINC000611952156 396957171 /nfs/dbraw/zinc/95/71/71/396957171.db2.gz MGMSRLBFIUPXRX-UHFFFAOYSA-N 0 0 318.724 0.595 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@](CO)(COC)C1 ZINC000625633710 396961358 /nfs/dbraw/zinc/96/13/58/396961358.db2.gz UDPGUNCFXDDBLR-MRXNPFEDSA-N 0 0 312.410 0.562 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@H](C)O2)C1=O ZINC000618576309 396994627 /nfs/dbraw/zinc/99/46/27/396994627.db2.gz NTTMZJUTFJVDON-MNOVXSKESA-N 0 0 323.349 0.037 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000625684858 396974924 /nfs/dbraw/zinc/97/49/24/396974924.db2.gz SGWIFYYJZMUQCI-CQSZACIVSA-N 0 0 323.437 0.638 10 30 DCEERN C=CCN(C(=O)C1CCN(OC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000630797085 397106896 /nfs/dbraw/zinc/10/68/96/397106896.db2.gz SCZQKWTXVXEILE-CYBMUJFWSA-N 0 0 316.423 0.462 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000612442947 397057009 /nfs/dbraw/zinc/05/70/09/397057009.db2.gz YUDCJMZVZQGMBI-JQWIXIFHSA-N 0 0 304.412 0.397 10 30 DCEERN Cc1oc(C#N)cc1C(=O)NCCCN1CCCS1(=O)=O ZINC000619551244 397148198 /nfs/dbraw/zinc/14/81/98/397148198.db2.gz TVUFRRCVZPMWNL-UHFFFAOYSA-N 0 0 311.363 0.615 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCN(c3cnn(C)c3)C2=O)C1=O ZINC000630974891 397150095 /nfs/dbraw/zinc/15/00/95/397150095.db2.gz GIUHOUUIVZGHHZ-RYUDHWBXSA-N 0 0 317.349 0.412 10 30 DCEERN C=CCn1cc(CN2C(=O)N3C[C@H](OC)C[C@@]3(C)C2=O)nn1 ZINC000630985210 397152448 /nfs/dbraw/zinc/15/24/48/397152448.db2.gz IZHNNZINBUWLQD-RISCZKNCSA-N 0 0 305.338 0.406 10 30 DCEERN C=CCn1cc(CN2C(=O)N3C[C@@H](OC)C[C@]3(C)C2=O)nn1 ZINC000630985212 397152574 /nfs/dbraw/zinc/15/25/74/397152574.db2.gz IZHNNZINBUWLQD-SMDDNHRTSA-N 0 0 305.338 0.406 10 30 DCEERN COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c(OC)n1 ZINC000619589434 397154225 /nfs/dbraw/zinc/15/42/25/397154225.db2.gz PAYGIMVORPOLQX-QMMMGPOBSA-N 0 0 302.294 0.762 10 30 DCEERN C[C@@H](C(=O)NCc1nn(C)c2ccccc12)n1cnc(C#N)n1 ZINC000619598959 397156544 /nfs/dbraw/zinc/15/65/44/397156544.db2.gz DQPCZQOUFKFBSG-JTQLQIEISA-N 0 0 309.333 0.914 10 30 DCEERN N#Cc1ccsc1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000377896330 397160571 /nfs/dbraw/zinc/16/05/71/397160571.db2.gz AFCKUXXZJTZPGK-OTYXRUKQSA-N 0 0 318.358 0.728 10 30 DCEERN C[C@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000364085207 397181621 /nfs/dbraw/zinc/18/16/21/397181621.db2.gz FRYQXNLOHMDWSP-JTQLQIEISA-N 0 0 323.374 0.086 10 30 DCEERN CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O ZINC000619843098 397199340 /nfs/dbraw/zinc/19/93/40/397199340.db2.gz DHMJZUSXBOEDSG-GFCCVEGCSA-N 0 0 318.308 0.373 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)OC ZINC000601786838 397243947 /nfs/dbraw/zinc/24/39/47/397243947.db2.gz TWJFHRVFNWQZMB-GFCCVEGCSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)OC ZINC000601785487 397244194 /nfs/dbraw/zinc/24/41/94/397244194.db2.gz BIGYCEFOILLDNE-LLVKDONJSA-N 0 0 303.322 0.601 10 30 DCEERN C=CCn1cc(C(=O)N2CCc3c(cccc3C(N)=O)C2)nn1 ZINC000620890442 397315496 /nfs/dbraw/zinc/31/54/96/397315496.db2.gz LHCMPOPDAAEPEV-UHFFFAOYSA-N 0 0 311.345 0.762 10 30 DCEERN N#Cc1ncn(CC(=O)NCC[C@@H]2COc3ccccc3O2)n1 ZINC000577256796 397316183 /nfs/dbraw/zinc/31/61/83/397316183.db2.gz YLVGJSFULHZAPT-LLVKDONJSA-N 0 0 313.317 0.496 10 30 DCEERN Cc1cc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)ccc1C#N ZINC000365530816 397291186 /nfs/dbraw/zinc/29/11/86/397291186.db2.gz BBJCJPJGAOJICZ-CQSZACIVSA-N 0 0 321.402 0.572 10 30 DCEERN C=CCOCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000620733265 397299362 /nfs/dbraw/zinc/29/93/62/397299362.db2.gz OYRBVALSGHVVRB-UHFFFAOYSA-N 0 0 316.404 0.483 10 30 DCEERN C=CCC[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)OCC ZINC000592804310 397255558 /nfs/dbraw/zinc/25/55/58/397255558.db2.gz YGFHXAKAEOAEKI-QWRGUYRKSA-N 0 0 318.395 0.034 10 30 DCEERN CCCCNC(=O)CN1CCN(c2ccncc2C#N)CC1 ZINC000614116098 397384781 /nfs/dbraw/zinc/38/47/81/397384781.db2.gz NYIXDMDLQKUOGH-UHFFFAOYSA-N 0 0 301.394 0.992 10 30 DCEERN C=C(C)COCCNC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000577639538 397349676 /nfs/dbraw/zinc/34/96/76/397349676.db2.gz OVHMBILIKQSJEV-UHFFFAOYSA-N 0 0 308.338 0.048 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000602267902 397358236 /nfs/dbraw/zinc/35/82/36/397358236.db2.gz YOMVYGTUPFFPNJ-YBTHPKLGSA-N 0 0 302.440 0.978 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000577844218 397366091 /nfs/dbraw/zinc/36/60/91/397366091.db2.gz HBGBRYBFUSXVII-DCAQKATOSA-N 0 0 318.320 0.534 10 30 DCEERN C=CCN(CCC#N)C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000602153198 397324838 /nfs/dbraw/zinc/32/48/38/397324838.db2.gz LMJBFXQWYKFZLR-STQMWFEESA-N 0 0 301.350 0.344 10 30 DCEERN C=CCC[C@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)OCC ZINC000602161367 397328914 /nfs/dbraw/zinc/32/89/14/397328914.db2.gz UDXYKIGQZXNZKK-RYUDHWBXSA-N 0 0 317.407 0.968 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)s1 ZINC000404227226 397329414 /nfs/dbraw/zinc/32/94/14/397329414.db2.gz LZWCZYVSMXKADC-LLVKDONJSA-N 0 0 302.377 0.440 10 30 DCEERN CC#CCCNS(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000599274008 397387214 /nfs/dbraw/zinc/38/72/14/397387214.db2.gz LOXWWIMAFLLSNV-UHFFFAOYSA-N 0 0 300.336 0.684 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCO)Cc1ccnn1CC ZINC000614265980 397409550 /nfs/dbraw/zinc/40/95/50/397409550.db2.gz XOMGYTCQLNCXJJ-OAHLLOKOSA-N 0 0 322.409 0.695 10 30 DCEERN C=CCNC(=O)CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599644853 397492703 /nfs/dbraw/zinc/49/27/03/397492703.db2.gz XAGZPNJLANQHPW-HNNXBMFYSA-N 0 0 321.333 0.875 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC[C@H](c2ccncn2)C1 ZINC000603833585 397623111 /nfs/dbraw/zinc/62/31/11/397623111.db2.gz VWBDHWGDIJZBOT-LBPRGKRZSA-N 0 0 303.366 0.668 10 30 DCEERN CN1CC(=O)N(CC(=O)NCc2ccc(C#N)cc2F)C1=O ZINC000609231034 397764782 /nfs/dbraw/zinc/76/47/82/397764782.db2.gz JBGBNPGPWBWPKE-UHFFFAOYSA-N 0 0 304.281 0.208 10 30 DCEERN C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[S@](C)=O ZINC000124112017 158238051 /nfs/dbraw/zinc/23/80/51/158238051.db2.gz IGDPVYLPKJENMO-NIVTXAMTSA-N 0 0 301.393 0.389 10 30 DCEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 ZINC000129435661 158288870 /nfs/dbraw/zinc/28/88/70/158288870.db2.gz BLDXAQQLYUGMGX-UHFFFAOYSA-N 0 0 311.345 0.984 10 30 DCEERN CCN1CCO[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000130667323 158295789 /nfs/dbraw/zinc/29/57/89/158295789.db2.gz MBQHCLKDSNIBQE-MRXNPFEDSA-N 0 0 315.373 0.869 10 30 DCEERN CCS(=O)(=O)N(C)CC(=O)Nc1nn(C(C)C)cc1C#N ZINC000161159355 158356382 /nfs/dbraw/zinc/35/63/82/158356382.db2.gz KLYACCAMCKHAJF-UHFFFAOYSA-N 0 0 313.383 0.556 10 30 DCEERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000190674037 158562915 /nfs/dbraw/zinc/56/29/15/158562915.db2.gz XYBJHMJHZDMUDJ-SECBINFHSA-N 0 0 318.308 0.373 10 30 DCEERN Cc1onc(CC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1C#N ZINC000408059442 160025768 /nfs/dbraw/zinc/02/57/68/160025768.db2.gz QBNBPGKNYCNORL-KBPBESRZSA-N 0 0 304.350 0.329 10 30 DCEERN C[C@@H]1CC[S@](=O)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000408116773 160039404 /nfs/dbraw/zinc/03/94/04/160039404.db2.gz ZLQJSCPUIJMRDY-LZVRBXCZSA-N 0 0 302.377 0.683 10 30 DCEERN Cn1cc(C(N)=O)cc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120605347 286952227 /nfs/dbraw/zinc/95/22/27/286952227.db2.gz RSFVFCAPEHFWRG-UHFFFAOYSA-N 0 0 312.329 0.804 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000246127628 287077338 /nfs/dbraw/zinc/07/73/38/287077338.db2.gz UKXWUCFHQWGAKC-CHWSQXEVSA-N 0 0 320.374 0.385 10 30 DCEERN C=C(Br)CN1CCCN(CC(=O)N(C)C)CC1 ZINC000131425923 196167654 /nfs/dbraw/zinc/16/76/54/196167654.db2.gz STVZLDAQSUDXLQ-UHFFFAOYSA-N 0 0 304.232 0.991 10 30 DCEERN C=CCCCNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000342508714 415194909 /nfs/dbraw/zinc/19/49/09/415194909.db2.gz LKCWRZRQDGDBDD-UHFFFAOYSA-N 0 0 318.377 0.929 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000285951747 415622874 /nfs/dbraw/zinc/62/28/74/415622874.db2.gz QFDFJVRPHIGRKS-CQSZACIVSA-N 0 0 311.426 0.496 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000333214781 415585617 /nfs/dbraw/zinc/58/56/17/415585617.db2.gz UQWFGYSLTOARCY-UTUOFQBUSA-N 0 0 302.396 0.549 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)CN1c2ccccc2C[C@H]1C(N)=O ZINC000101547905 415595534 /nfs/dbraw/zinc/59/55/34/415595534.db2.gz JQYAXIPFBYOHAX-YOEHRIQHSA-N 0 0 314.389 0.957 10 30 DCEERN C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C(N)=O ZINC000284579025 415595640 /nfs/dbraw/zinc/59/56/40/415595640.db2.gz LBUOCMKBYXZFBL-BXUZGUMPSA-N 0 0 301.346 0.711 10 30 DCEERN Cn1nc(C(C)(C)C)cc1C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000288223882 415676867 /nfs/dbraw/zinc/67/68/67/415676867.db2.gz VRKGJKRHEWCXPX-UHFFFAOYSA-N 0 0 317.393 0.916 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000118115808 415735428 /nfs/dbraw/zinc/73/54/28/415735428.db2.gz GLOJVKHECALYNP-CQSZACIVSA-N 0 0 301.346 0.053 10 30 DCEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000355067524 415843235 /nfs/dbraw/zinc/84/32/35/415843235.db2.gz KXXSUJBZHQVWCP-MRXNPFEDSA-N 0 0 320.345 0.322 10 30 DCEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000355067523 415843690 /nfs/dbraw/zinc/84/36/90/415843690.db2.gz KXXSUJBZHQVWCP-INIZCTEOSA-N 0 0 320.345 0.322 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)CO)cc2C1=O ZINC000126667432 415876185 /nfs/dbraw/zinc/87/61/85/415876185.db2.gz FEKHNIHUCOVRLY-JTQLQIEISA-N 0 0 302.330 0.921 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000337039776 415896297 /nfs/dbraw/zinc/89/62/97/415896297.db2.gz AFSKVRLMRHNZNK-LBPRGKRZSA-N 0 0 303.366 0.889 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000337046724 415898961 /nfs/dbraw/zinc/89/89/61/415898961.db2.gz GKGLFVDBMQNJKQ-NWDGAFQWSA-N 0 0 304.412 0.101 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000297637115 415965487 /nfs/dbraw/zinc/96/54/87/415965487.db2.gz XCBGYTWEYLLIFL-UHFFFAOYSA-N 0 0 307.394 0.514 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000337236869 415934044 /nfs/dbraw/zinc/93/40/44/415934044.db2.gz BPUGQVDBRIALRN-SSDOTTSWSA-N 0 0 320.271 0.431 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000337809125 416011611 /nfs/dbraw/zinc/01/16/11/416011611.db2.gz KARICAIRMPKFMB-NWDGAFQWSA-N 0 0 322.365 0.551 10 30 DCEERN CCS(=O)(=O)N(C)CCCNC(=O)c1cc(C#N)cn1C ZINC000175654041 416110094 /nfs/dbraw/zinc/11/00/94/416110094.db2.gz LDRGHTHDFFMZQC-UHFFFAOYSA-N 0 0 312.395 0.298 10 30 DCEERN CCn1c(C)nnc1CN(CCC#N)CCN1CCOCC1 ZINC000176265374 416123441 /nfs/dbraw/zinc/12/34/41/416123441.db2.gz WZEQKFLCDMFOMD-UHFFFAOYSA-N 0 0 306.414 0.654 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)COC)cc2C1=O ZINC000338683348 416127197 /nfs/dbraw/zinc/12/71/97/416127197.db2.gz GZBFHSURENDONV-NSHDSACASA-N 0 0 318.329 0.206 10 30 DCEERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[C@@H]1CCOC1 ZINC000328669534 416128001 /nfs/dbraw/zinc/12/80/01/416128001.db2.gz MAPSCJQEWGLYJR-MNOVXSKESA-N 0 0 305.400 0.080 10 30 DCEERN C[C@@H](Cn1cncn1)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000328760987 416131344 /nfs/dbraw/zinc/13/13/44/416131344.db2.gz XYEZCIYLBXDWOP-LBPRGKRZSA-N 0 0 310.402 0.281 10 30 DCEERN CN1C[C@H](NC(=O)NC[C@H]2COc3ccccc3O2)CC1=O ZINC000328776338 416132890 /nfs/dbraw/zinc/13/28/90/416132890.db2.gz FMZCGSHYFNKKGP-MNOVXSKESA-N 0 0 305.334 0.561 10 30 DCEERN COCc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)ncn1 ZINC000328941930 416141162 /nfs/dbraw/zinc/14/11/62/416141162.db2.gz FLHRSJHXDVJOFA-OLZOCXBDSA-N 0 0 321.381 0.573 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCCOCCO)cc2C1=O ZINC000339078480 416152320 /nfs/dbraw/zinc/15/23/20/416152320.db2.gz AGXMIEGMEHTVMT-UHFFFAOYSA-N 0 0 318.329 0.207 10 30 DCEERN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1=O ZINC000329446819 416169459 /nfs/dbraw/zinc/16/94/59/416169459.db2.gz CPYCRSPYKNHWRK-SRRSOLGSSA-N 0 0 310.350 0.530 10 30 DCEERN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cn(C)nn1 ZINC000340019073 416172976 /nfs/dbraw/zinc/17/29/76/416172976.db2.gz OBKXLVHYZZEYDZ-UHFFFAOYSA-N 0 0 315.333 0.635 10 30 DCEERN COC(=O)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179000042 416179682 /nfs/dbraw/zinc/17/96/82/416179682.db2.gz APJABRBRFHTFAL-AWEZNQCLSA-N 0 0 322.386 0.969 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCNC(=O)N(C)C ZINC000179578379 416191303 /nfs/dbraw/zinc/19/13/03/416191303.db2.gz 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/nfs/dbraw/zinc/29/00/92/416290092.db2.gz LIJFJWJZBSJZHB-CQSZACIVSA-N 0 0 320.437 0.933 10 30 DCEERN C=CCN(CCOC)C(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000191971064 416293602 /nfs/dbraw/zinc/29/36/02/416293602.db2.gz BCAUGHREFIQRIF-ZDUSSCGKSA-N 0 0 318.439 0.852 10 30 DCEERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000192012840 416295808 /nfs/dbraw/zinc/29/58/08/416295808.db2.gz YDEWFBUSGLTUSQ-ZYHUDNBSSA-N 0 0 317.349 0.544 10 30 DCEERN C=CCN(C[C@H](O)COCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000248655711 416333591 /nfs/dbraw/zinc/33/35/91/416333591.db2.gz QROTZZWGNXUSHB-KBPBESRZSA-N 0 0 305.440 0.839 10 30 DCEERN N#Cc1ccc(NC[C@@H](O)C(F)F)nc1NC[C@H](O)C(F)F ZINC000435603157 416525350 /nfs/dbraw/zinc/52/53/50/416525350.db2.gz HASHFNLVCZFXNF-SFYZADRCSA-N 0 0 322.262 1.029 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)onc2CC)C1=O ZINC000535891684 416535066 /nfs/dbraw/zinc/53/50/66/416535066.db2.gz KOJRQKZCHNBOLZ-UHFFFAOYSA-N 0 0 320.305 0.461 10 30 DCEERN 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DCEERN C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2C[C@H]2CC)CC1 ZINC000459039367 339011855 /nfs/dbraw/zinc/01/18/55/339011855.db2.gz ZNYXMRREZUQHOI-KGLIPLIRSA-N 0 0 308.426 0.662 10 30 DCEERN C=CCN(C)C(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000459912452 339050586 /nfs/dbraw/zinc/05/05/86/339050586.db2.gz XWPAGDYBBYENDW-HEHGZKQESA-N 0 0 310.394 0.816 10 30 DCEERN C=CCCCS(=O)(=O)N1CCN(Cc2nccn2C)CC1 ZINC000489184204 339803240 /nfs/dbraw/zinc/80/32/40/339803240.db2.gz DZOHPBHYPMIISI-UHFFFAOYSA-N 0 0 312.439 0.834 10 30 DCEERN C=CC1CCN(C(=O)C(=O)Nc2cc(CCOC)nn2C)CC1 ZINC000126699733 340830730 /nfs/dbraw/zinc/83/07/30/340830730.db2.gz CEGKOOZYDIJSHC-UHFFFAOYSA-N 0 0 320.393 0.972 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000545284342 341119347 /nfs/dbraw/zinc/11/93/47/341119347.db2.gz QOBUCZJHZXOVSV-ZETCQYMHSA-N 0 0 320.392 0.071 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000545991505 341149969 /nfs/dbraw/zinc/14/99/69/341149969.db2.gz 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C=CCNC(=O)CNC(=O)CCc1cccc(C(=O)NC)c1 ZINC000347893027 526544710 /nfs/dbraw/zinc/54/47/10/526544710.db2.gz MRRCIBHDBATKJX-UHFFFAOYSA-N 0 0 303.362 0.397 10 30 DCEERN C=CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000354838031 526582808 /nfs/dbraw/zinc/58/28/08/526582808.db2.gz DNHAGDVWXYBOEF-GFCCVEGCSA-N 0 0 317.411 0.008 10 30 DCEERN CC(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000357308098 526622387 /nfs/dbraw/zinc/62/23/87/526622387.db2.gz RKDVDVVLNSUMKN-ZDUSSCGKSA-N 0 0 306.410 0.882 10 30 DCEERN C#CCC(CC#C)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000277740601 526670363 /nfs/dbraw/zinc/67/03/63/526670363.db2.gz QWZVTGHKEDIHMN-AWEZNQCLSA-N 0 0 311.403 0.311 10 30 DCEERN C=C(C)CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000188177107 526684412 /nfs/dbraw/zinc/68/44/12/526684412.db2.gz FSTYZGQFDUEYOW-UHFFFAOYSA-N 0 0 304.393 0.330 10 30 DCEERN C#CCCCS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000367777995 526717220 /nfs/dbraw/zinc/71/72/20/526717220.db2.gz JAPMYSALYBMEGU-OAHLLOKOSA-N 0 0 314.451 0.916 10 30 DCEERN C#CCN(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000191129936 526796226 /nfs/dbraw/zinc/79/62/26/526796226.db2.gz LWIMKCNFMJHYNO-SNVBAGLBSA-N 0 0 305.359 0.205 10 30 DCEERN C=CCS(=O)(=O)CCNC(=O)N1CCN2CCC1CC2 ZINC000375175900 526972968 /nfs/dbraw/zinc/97/29/68/526972968.db2.gz UFSHIOQKHMOHIX-UHFFFAOYSA-N 0 0 301.412 0.077 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000342166781 527060850 /nfs/dbraw/zinc/06/08/50/527060850.db2.gz SYQZTKXNNHTVEN-GFCCVEGCSA-N 0 0 301.346 0.697 10 30 DCEERN C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000366806169 527066616 /nfs/dbraw/zinc/06/66/16/527066616.db2.gz VCKZNBAXVUEXIG-CQSZACIVSA-N 0 0 301.346 0.452 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000183177209 527086123 /nfs/dbraw/zinc/08/61/23/527086123.db2.gz NYLOZWNPVHXIPW-QMMMGPOBSA-N 0 0 312.395 0.827 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000183192718 527086332 /nfs/dbraw/zinc/08/63/32/527086332.db2.gz 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/nfs/dbraw/zinc/77/24/43/527772443.db2.gz YEHGQQCZGGDAAN-AAEUAGOBSA-N 0 0 307.398 0.235 10 30 DCEERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)CCCC#N)CC2 ZINC000181730843 528482143 /nfs/dbraw/zinc/48/21/43/528482143.db2.gz PUTYZFOATIHRME-LLVKDONJSA-N 0 0 311.411 0.939 10 30 DCEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000407953138 528638674 /nfs/dbraw/zinc/63/86/74/528638674.db2.gz KYOPBDHHAAHNJX-LBPRGKRZSA-N 0 0 300.428 0.493 10 30 DCEERN CCOC(=O)CCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363520836 528704711 /nfs/dbraw/zinc/70/47/11/528704711.db2.gz VXAKITSAOOOPHZ-ZDUSSCGKSA-N 0 0 308.382 0.711 10 30 DCEERN CCOC(=O)N[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C ZINC000371622268 529087430 /nfs/dbraw/zinc/08/74/30/529087430.db2.gz OQKWIURIXQTYSX-ZIAGYGMSSA-N 0 0 322.409 0.956 10 30 DCEERN CC[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000408342528 529299910 /nfs/dbraw/zinc/29/99/10/529299910.db2.gz XVTGEAOJNMIXGR-STQMWFEESA-N 0 0 317.411 0.347 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000185932007 545913576 /nfs/dbraw/zinc/91/35/76/545913576.db2.gz UOEDCWUKTJPQMK-NSHDSACASA-N 0 0 312.391 0.570 10 30 DCEERN CCN1CCN(CC(=O)N[C@H](C)C[C@@H]2CCCO2)C(=O)C1=O ZINC000328708889 546039190 /nfs/dbraw/zinc/03/91/90/546039190.db2.gz QNSMABRLLFIEKZ-NEPJUHHUSA-N 0 0 311.382 0.591 10 30 DCEERN C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329753693 546054684 /nfs/dbraw/zinc/05/46/84/546054684.db2.gz WWMPKDUEIFVXMO-ZIAGYGMSSA-N 0 0 307.398 0.592 10 30 DCEERN C#CCOCCC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000157226779 657628746 /nfs/dbraw/zinc/62/87/46/657628746.db2.gz GGYMXQZMEWAKTI-ZDUSSCGKSA-N 0 0 313.357 0.941 10 30 DCEERN C=CCCCN(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000163109716 661403720 /nfs/dbraw/zinc/40/37/20/661403720.db2.gz HAJMOHBKSHRUNX-UHFFFAOYSA-N 0 0 304.412 0.968 10 30 DCEERN C#CCOCCC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000166723751 664467985 /nfs/dbraw/zinc/46/79/85/664467985.db2.gz ROKXJWXVYZPQQF-UHFFFAOYSA-N 0 0 322.405 0.514 10 30 DCEERN C=C(Br)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000151503220 664637168 /nfs/dbraw/zinc/63/71/68/664637168.db2.gz WBRJTHJQEIYPJZ-BDAKNGLRSA-N 0 0 321.171 0.867 10 30 DCEERN O=c1nc(NN=Cc2ccc(-n3cncn3)cc2)nc2[nH][nH]cc1-2 ZINC000731157440 664841525 /nfs/dbraw/zinc/84/15/25/664841525.db2.gz KWHCMWIJWYTCHB-UHFFFAOYSA-N 0 0 321.304 0.459 10 30 DCEERN COC(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nc1 ZINC000732665065 664950589 /nfs/dbraw/zinc/95/05/89/664950589.db2.gz UIFMBRYODNNNIQ-ZDUSSCGKSA-N 0 0 314.345 0.681 10 30 DCEERN CNC(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 ZINC000732664737 664950590 /nfs/dbraw/zinc/95/05/90/664950590.db2.gz NTQDHZMQLFRLOI-ZDUSSCGKSA-N 0 0 313.361 0.254 10 30 DCEERN CCn1cnnc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732673609 664951475 /nfs/dbraw/zinc/95/14/75/664951475.db2.gz AOWGILBHCXRUFZ-LBPRGKRZSA-N 0 0 303.370 0.180 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000186656824 666572141 /nfs/dbraw/zinc/57/21/41/666572141.db2.gz ICPRBUZTAFLKDO-QMMMGPOBSA-N 0 0 304.299 0.949 10 30 DCEERN C#CCCNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000733645310 666782763 /nfs/dbraw/zinc/78/27/63/666782763.db2.gz GZHCKOPNXZDXCS-INIZCTEOSA-N 0 0 314.345 0.564 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000733673197 666795129 /nfs/dbraw/zinc/79/51/29/666795129.db2.gz QONAYQRDRFVNKK-UHFFFAOYSA-N 0 0 301.346 0.395 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000733673233 666795620 /nfs/dbraw/zinc/79/56/20/666795620.db2.gz UIUHINLMACSNHW-UHFFFAOYSA-N 0 0 313.357 0.887 10 30 DCEERN C=C(COC(=O)c1csc(S(N)(=O)=O)c1)C(=O)OCC ZINC000734027919 666836942 /nfs/dbraw/zinc/83/69/42/666836942.db2.gz WEVMZMQUCYWRTC-UHFFFAOYSA-N 0 0 319.360 0.672 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cncc(C#N)n2)C1 ZINC000705656421 667364313 /nfs/dbraw/zinc/36/43/13/667364313.db2.gz HCMILGTYPPXFAY-CMPLNLGQSA-N 0 0 319.365 0.988 10 30 DCEERN N#Cc1c(F)cccc1N1CCN([C@]2(C(N)=O)CCOC2)CC1 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C#CCNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000171002190 1183704171 /nfs/dbraw/zinc/70/41/71/1183704171.db2.gz TYIGWZVCQJHTAL-HNNXBMFYSA-N 0 0 300.318 0.174 10 30 DCEERN Cn1cc(/C=C\C(=O)OCC2(C#N)CCCC2)c(=O)n(C)c1=O ZINC000588411603 747254781 /nfs/dbraw/zinc/25/47/81/747254781.db2.gz YFBCQDMDTITBOY-WAYWQWQTSA-N 0 0 317.345 0.724 10 30 DCEERN Cn1cc(/C=C\C(=O)O[C@@H]2CC[C@H](C#N)C2)c(=O)n(C)c1=O ZINC000255496024 748919208 /nfs/dbraw/zinc/91/92/08/748919208.db2.gz VPYPPJITUSACLJ-PLLCSPFLSA-N 0 0 303.318 0.333 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000424934301 334940150 /nfs/dbraw/zinc/94/01/50/334940150.db2.gz UMWWNYDIGKTLMZ-JQWIXIFHSA-N 0 0 307.306 0.464 10 30 DCEERN CCc1nc(CNC(=O)N2CC(=O)N(CCOC)C2)cs1 ZINC000328750065 529730682 /nfs/dbraw/zinc/73/06/82/529730682.db2.gz RBGXNFQIRDTFCQ-UHFFFAOYSA-N 0 0 312.395 0.868 10 30 DCEERN C=CCNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425540498 334963483 /nfs/dbraw/zinc/96/34/83/334963483.db2.gz 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395683686 /nfs/dbraw/zinc/68/36/86/395683686.db2.gz GGWLIUMGHFVFIJ-UHFFFAOYSA-N 0 0 313.313 0.963 10 30 DCEERN C#CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000030556038 395702811 /nfs/dbraw/zinc/70/28/11/395702811.db2.gz OIGAUNWUCNEFLN-LLVKDONJSA-N 0 0 302.330 0.806 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@@H]2/C(N)=N/O)C1 ZINC000093697484 395739187 /nfs/dbraw/zinc/73/91/87/395739187.db2.gz NFTSGNYPHSLCLK-NWDGAFQWSA-N 0 0 318.443 0.259 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112725466 395823437 /nfs/dbraw/zinc/82/34/37/395823437.db2.gz DQAMFFBTKMPVIF-ZDUSSCGKSA-N 0 0 324.344 0.011 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000116891158 395848775 /nfs/dbraw/zinc/84/87/75/395848775.db2.gz WJOOOKDXPOBLRL-ZDUSSCGKSA-N 0 0 309.391 0.561 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1C ZINC000273366454 395916222 /nfs/dbraw/zinc/91/62/22/395916222.db2.gz BGNQVLCRHAAHGD-GFCCVEGCSA-N 0 0 319.361 0.346 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000273457747 395922509 /nfs/dbraw/zinc/92/25/09/395922509.db2.gz VGNOBVWYHYSZSQ-GFCCVEGCSA-N 0 0 320.345 0.773 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000273533289 395928222 /nfs/dbraw/zinc/92/82/22/395928222.db2.gz WUZFORYRCMPKBJ-LBPRGKRZSA-N 0 0 301.346 0.758 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000273533708 395928364 /nfs/dbraw/zinc/92/83/64/395928364.db2.gz RERNXIJOWDXREJ-LBPRGKRZSA-N 0 0 322.390 0.791 10 30 DCEERN C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1N ZINC000274479122 395951874 /nfs/dbraw/zinc/95/18/74/395951874.db2.gz QANKVLRWFPBMBV-UHFFFAOYSA-N 0 0 304.393 0.148 10 30 DCEERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000158552001 396065332 /nfs/dbraw/zinc/06/53/32/396065332.db2.gz FUIWIVDOAJWSRS-ZDUSSCGKSA-N 0 0 309.391 0.557 10 30 DCEERN C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCS(=O)(=O)C1 ZINC000249315211 396006159 /nfs/dbraw/zinc/00/61/59/396006159.db2.gz PIEXAGRJQDYCAL-SWLSCSKDSA-N 0 0 308.403 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322.416 0.998 10 30 DCEERN C=CCCn1cc(C(=O)N2CC[C@](OC)(C(=O)OC)C2)nn1 ZINC000600302876 396794937 /nfs/dbraw/zinc/79/49/37/396794937.db2.gz ZSDHNZBJVGECSR-CQSZACIVSA-N 0 0 308.338 0.258 10 30 DCEERN C=CCOc1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000629418959 396751392 /nfs/dbraw/zinc/75/13/92/396751392.db2.gz OWYNHDVCCDESBW-AWEZNQCLSA-N 0 0 304.346 0.968 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625118504 396775354 /nfs/dbraw/zinc/77/53/54/396775354.db2.gz KIOKENITPIKYSC-LBPRGKRZSA-N 0 0 307.412 0.429 10 30 DCEERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328837336 396832482 /nfs/dbraw/zinc/83/24/82/396832482.db2.gz NGEXGXBBRMYZFI-LYIQGSDWSA-N 0 0 316.423 0.975 10 30 DCEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000328851153 396834359 /nfs/dbraw/zinc/83/43/59/396834359.db2.gz UYCZHTWPWWVJMK-RRFJBIMHSA-N 0 0 309.410 0.874 10 30 DCEERN C=C(C)[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)NC)OCC ZINC000634517338 396878576 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ZINC000618525316 396988300 /nfs/dbraw/zinc/98/83/00/396988300.db2.gz BEYFOJUBUIHLDW-UHFFFAOYSA-N 0 0 316.379 0.852 10 30 DCEERN C=CCOCCCNC(=O)c1cc(S(N)(=O)=O)cnc1C ZINC000618526312 396988521 /nfs/dbraw/zinc/98/85/21/396988521.db2.gz SBZMMIWCMVJLCW-UHFFFAOYSA-N 0 0 313.379 0.360 10 30 DCEERN C=C[C@@](C)(CCOC)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677169 397010211 /nfs/dbraw/zinc/01/02/11/397010211.db2.gz DQCBMWCXXLOAAX-OCCSQVGLSA-N 0 0 318.439 0.708 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C(=O)OC)cn1 ZINC000597611940 397031439 /nfs/dbraw/zinc/03/14/39/397031439.db2.gz VDSHMMZOENGDRX-CQSZACIVSA-N 0 0 319.361 0.955 10 30 DCEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000618848801 397033613 /nfs/dbraw/zinc/03/36/13/397033613.db2.gz YFNRFPKDNZUDAR-GXTWGEPZSA-N 0 0 313.361 0.998 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(C#N)CC(C)C1 ZINC000618883027 397035897 /nfs/dbraw/zinc/03/58/97/397035897.db2.gz QMAMMFIHJRXEEH-YJVGMPMCSA-N 0 0 309.366 0.499 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000612003997 396978835 /nfs/dbraw/zinc/97/88/35/396978835.db2.gz PXQCIHJXTGIWJE-RDBSUJKOSA-N 0 0 322.405 0.864 10 30 DCEERN C=C[C@H](C)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000626066774 397065255 /nfs/dbraw/zinc/06/52/55/397065255.db2.gz QTJCUYBSVJBWIP-DRZSPHRISA-N 0 0 306.366 0.399 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NCCc1cncc(C)n1 ZINC000612413220 397047968 /nfs/dbraw/zinc/04/79/68/397047968.db2.gz SEZUOXHVEMUSIX-UHFFFAOYSA-N 0 0 306.366 0.153 10 30 DCEERN C=C(C)CN(C)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000626383687 397150786 /nfs/dbraw/zinc/15/07/86/397150786.db2.gz YFJWDYSLLBCHOW-KBPBESRZSA-N 0 0 320.393 0.743 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N([C@@H](CC)CNS(C)(=O)=O)C1=O ZINC000630981781 397151353 /nfs/dbraw/zinc/15/13/53/397151353.db2.gz GZPUBECLQOCQSH-VHSXEESVSA-N 0 0 303.384 0.201 10 30 DCEERN C[C@@H](C(=O)N1CCOC[C@@H]1c1ccco1)n1cnc(C#N)n1 ZINC000619593344 397154159 /nfs/dbraw/zinc/15/41/59/397154159.db2.gz 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/nfs/dbraw/zinc/24/38/56/397243856.db2.gz ZCERQBXCPPGLRJ-LBPRGKRZSA-N 0 0 305.334 0.435 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)OC ZINC000601784598 397244062 /nfs/dbraw/zinc/24/40/62/397244062.db2.gz LCAMIRANHWHJPI-QWRGUYRKSA-N 0 0 307.354 0.250 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)OC ZINC000601785488 397244214 /nfs/dbraw/zinc/24/42/14/397244214.db2.gz BIGYCEFOILLDNE-NSHDSACASA-N 0 0 303.322 0.601 10 30 DCEERN C=C(C)C[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000601783708 397244249 /nfs/dbraw/zinc/24/42/49/397244249.db2.gz XRKKUNZDHUUUIL-RYUDHWBXSA-N 0 0 317.407 0.825 10 30 DCEERN N#Cc1ccc([C@H](C(N)=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000613584659 397282212 /nfs/dbraw/zinc/28/22/12/397282212.db2.gz WLVHJEKIFLQALI-GDBMZVCRSA-N 0 0 301.346 0.576 10 30 DCEERN C=CCC1(C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CCOCC1 ZINC000592930552 397294147 /nfs/dbraw/zinc/29/41/47/397294147.db2.gz QXGSNNMTJUQFGY-CHWSQXEVSA-N 0 0 311.378 0.742 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1=O ZINC000626849293 397260233 /nfs/dbraw/zinc/26/02/33/397260233.db2.gz SMJXEQOUMQCYFU-UONOGXRCSA-N 0 0 316.405 0.999 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ncc[nH]2)CC1 ZINC000614026588 397363904 /nfs/dbraw/zinc/36/39/04/397363904.db2.gz RRZLFWKZDNJMTK-ZDUSSCGKSA-N 0 0 305.382 0.529 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602320832 397370540 /nfs/dbraw/zinc/37/05/40/397370540.db2.gz QHQFDEDBPGRXOJ-NDBYEHHHSA-N 0 0 312.366 0.692 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3nc[nH]c3C2)C1=O ZINC000614394505 397431425 /nfs/dbraw/zinc/43/14/25/397431425.db2.gz RMCDQLYVZLGISL-SMDDNHRTSA-N 0 0 302.378 0.760 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599455198 397445892 /nfs/dbraw/zinc/44/58/92/397445892.db2.gz BHVXKPFUFLBKKC-NEPJUHHUSA-N 0 0 305.396 0.840 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000614491965 397448931 /nfs/dbraw/zinc/44/89/31/397448931.db2.gz PXIBLYMFLJARFG-NWDGAFQWSA-N 0 0 302.396 0.103 10 30 DCEERN C=CCn1cc(CNC(=O)C2(C(=O)OCC)CCOCC2)nn1 ZINC000424918741 397403736 /nfs/dbraw/zinc/40/37/36/397403736.db2.gz RTYLMTZAVISDDA-UHFFFAOYSA-N 0 0 322.365 0.440 10 30 DCEERN C=CCN([C@H](C)COC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599339498 397413665 /nfs/dbraw/zinc/41/36/65/397413665.db2.gz QTJQHEFOPFTPNV-SECBINFHSA-N 0 0 318.355 0.540 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000614678299 397495128 /nfs/dbraw/zinc/49/51/28/397495128.db2.gz ZBVISHHRQGJXJL-ZBFHGGJFSA-N 0 0 310.394 0.865 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000579281335 397548307 /nfs/dbraw/zinc/54/83/07/397548307.db2.gz MDELAKCVFIJCIW-JTQLQIEISA-N 0 0 306.309 0.535 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000160477390 158354019 /nfs/dbraw/zinc/35/40/19/158354019.db2.gz YAXXIXONLIKISF-NWDGAFQWSA-N 0 0 324.406 0.344 10 30 DCEERN CNS(=O)(=O)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000408456478 160112766 /nfs/dbraw/zinc/11/27/66/160112766.db2.gz IWHJYSDJYROHPV-UHFFFAOYSA-N 0 0 312.370 0.279 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000246093875 287076560 /nfs/dbraw/zinc/07/65/60/287076560.db2.gz KYRRCGCVXHYCLR-UONOGXRCSA-N 0 0 319.386 0.990 10 30 DCEERN C=CCCCNC(=O)C(=O)N(C)Cc1nc([C@H](C)OC)no1 ZINC000342503851 415195167 /nfs/dbraw/zinc/19/51/67/415195167.db2.gz GXISMEGDFLDMIK-JTQLQIEISA-N 0 0 310.354 0.818 10 30 DCEERN C=CCOC[C@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)OC ZINC000352590867 415240551 /nfs/dbraw/zinc/24/05/51/415240551.db2.gz QQYHNOFKMGRWOS-NSHDSACASA-N 0 0 310.354 0.641 10 30 DCEERN C=CCc1cc([C@H]2NC(=O)[C@H]3COCCN32)cc(OC)c1O ZINC000093883978 415548761 /nfs/dbraw/zinc/54/87/61/415548761.db2.gz XCPCQAJBMLITBR-DOMZBBRYSA-N 0 0 304.346 0.959 10 30 DCEERN C=CCNC(=O)NC(=O)CN[C@@H](C(=O)OC)c1cccc(O)c1 ZINC000353462141 415555463 /nfs/dbraw/zinc/55/54/63/415555463.db2.gz CHIQISYBANTYNS-CYBMUJFWSA-N 0 0 321.333 0.208 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000285956686 415624046 /nfs/dbraw/zinc/62/40/46/415624046.db2.gz ADCAYLWEIUMOGB-GFCCVEGCSA-N 0 0 305.382 0.442 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000288237483 415676048 /nfs/dbraw/zinc/67/60/48/415676048.db2.gz WTWDPLIYPDLMGN-UHFFFAOYSA-N 0 0 320.393 0.364 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289817063 415722601 /nfs/dbraw/zinc/72/26/01/415722601.db2.gz KNIDWIYKPFFSHA-JTQLQIEISA-N 0 0 317.363 0.898 10 30 DCEERN C=CCCOCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000122430002 415832756 /nfs/dbraw/zinc/83/27/56/415832756.db2.gz NQFSRDZRVYDDOX-CABCVRRESA-N 0 0 311.426 0.941 10 30 DCEERN C[C@H](CC#N)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125573940 415867091 /nfs/dbraw/zinc/86/70/91/415867091.db2.gz FVHAFVZDAPNHNR-NXEZZACHSA-N 0 0 320.374 0.532 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1cnc(N(C)C)nc1 ZINC000356257187 415893128 /nfs/dbraw/zinc/89/31/28/415893128.db2.gz NIVQPXADOHNCIF-NSHDSACASA-N 0 0 320.397 0.375 10 30 DCEERN C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337104464 415910911 /nfs/dbraw/zinc/91/09/11/415910911.db2.gz AFZYBHROBHZMSA-RYUDHWBXSA-N 0 0 303.428 0.922 10 30 DCEERN C=CCNc1nnc(SCCCS(=O)(=O)NC)s1 ZINC000337447903 415963024 /nfs/dbraw/zinc/96/30/24/415963024.db2.gz DATCGEZXLKRCGW-UHFFFAOYSA-N 0 0 308.454 1.167 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153622186 415983837 /nfs/dbraw/zinc/98/38/37/415983837.db2.gz ISKPOBLDDUNOLA-LLVKDONJSA-N 0 0 318.368 0.660 10 30 DCEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337728104 416002978 /nfs/dbraw/zinc/00/29/78/416002978.db2.gz MSKIUWWWEMLTJB-UPJWGTAASA-N 0 0 318.439 0.802 10 30 DCEERN CN1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000158815305 416003448 /nfs/dbraw/zinc/00/34/48/416003448.db2.gz WLMWLDKPIRNCGA-UHFFFAOYSA-N 0 0 307.419 0.969 10 30 DCEERN Cc1ncc(S(=O)(=O)N(C)[C@@H]2CCCN(C)C2)cc1C#N ZINC000313933328 416110775 /nfs/dbraw/zinc/11/07/75/416110775.db2.gz CZXOCOPLRSIDOL-CYBMUJFWSA-N 0 0 308.407 0.976 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000175569891 416111351 /nfs/dbraw/zinc/11/13/51/416111351.db2.gz HYBPZBXWJMINAB-UHFFFAOYSA-N 0 0 318.358 0.474 10 30 DCEERN CN1CCO[C@@H]2CCN(C(=O)NCCc3cnccn3)C[C@@H]21 ZINC000328852546 416135232 /nfs/dbraw/zinc/13/52/32/416135232.db2.gz BVDKJDOJRAYGHT-UONOGXRCSA-N 0 0 305.382 0.338 10 30 DCEERN O=C(NCCc1cnc(C2CC2)nc1)N[C@@H]1CC[S@@](=O)C1 ZINC000328880396 416136753 /nfs/dbraw/zinc/13/67/53/416136753.db2.gz VUJDAQFIQGEPNS-GTJPDFRWSA-N 0 0 308.407 0.921 10 30 DCEERN Cc1cc(=O)n(C)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328965442 416140401 /nfs/dbraw/zinc/14/04/01/416140401.db2.gz MIRCWPDNWWRVKO-UONOGXRCSA-N 0 0 320.393 0.644 10 30 DCEERN C[C@H](Cn1cncn1)NC([O-])=[NH+][C@H](C)[C@H](C)N1CCOCC1 ZINC000329130175 416153397 /nfs/dbraw/zinc/15/33/97/416153397.db2.gz WTDACQITTMYRIS-UPJWGTAASA-N 0 0 310.402 0.279 10 30 DCEERN [O-]C(N[C@@H]1CCO[C@@H](C2CC2)C1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329174429 416155115 /nfs/dbraw/zinc/15/51/15/416155115.db2.gz LFROSDYSFNXAQF-XJFOESAGSA-N 0 0 321.381 0.679 10 30 DCEERN C[C@]1(CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCCC[C@@H]1O ZINC000329377432 416166614 /nfs/dbraw/zinc/16/66/14/416166614.db2.gz LZUYLHWCXGZHAN-SFDCQRBFSA-N 0 0 323.397 0.663 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000339902731 416167953 /nfs/dbraw/zinc/16/79/53/416167953.db2.gz YMNGAVPZONZZJT-NSHDSACASA-N 0 0 305.382 0.826 10 30 DCEERN C[C@@]1(CNC(=O)N2CCN(c3cccnn3)CC2)CCOC1 ZINC000329559714 416177013 /nfs/dbraw/zinc/17/70/13/416177013.db2.gz RAMFTUZRQYMTFP-HNNXBMFYSA-N 0 0 305.382 0.939 10 30 DCEERN Cn1cc(NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(C2CC2)n1 ZINC000329633224 416182651 /nfs/dbraw/zinc/18/26/51/416182651.db2.gz SIHYOJYKIJHUTG-QWHCGFSZSA-N 0 0 305.382 0.858 10 30 DCEERN Cc1nccn1CC[NH+]=C([O-])N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329747930 416189503 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317.345 0.847 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635101590 417577257 /nfs/dbraw/zinc/57/72/57/417577257.db2.gz LHCHSBLMCZCICM-MRVPVSSYSA-N 0 0 310.281 0.546 10 30 DCEERN C=CCC[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000455084292 417592580 /nfs/dbraw/zinc/59/25/80/417592580.db2.gz OJYPVMNRIKSHKZ-JTQLQIEISA-N 0 0 310.354 1.045 10 30 DCEERN C=CC(C)(C)CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000628315447 417606587 /nfs/dbraw/zinc/60/65/87/417606587.db2.gz LUJSYPWEGWLRQL-UHFFFAOYSA-N 0 0 317.455 0.282 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)C1 ZINC000628491577 417625360 /nfs/dbraw/zinc/62/53/60/417625360.db2.gz BQJYMRRSHGBYKB-GFCCVEGCSA-N 0 0 315.439 0.587 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000628492653 417626652 /nfs/dbraw/zinc/62/66/52/417626652.db2.gz ZCPOUSRJFIACHZ-NEPJUHHUSA-N 0 0 301.412 0.327 10 30 DCEERN C=CCN(C(=O)Cc1nc(CC)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000635402807 417650901 /nfs/dbraw/zinc/65/09/01/417650901.db2.gz 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546039334 /nfs/dbraw/zinc/03/93/34/546039334.db2.gz HVEHPCDHIXNSBP-GFCCVEGCSA-N 0 0 318.381 0.571 10 30 DCEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(C2CC2)nn1 ZINC000329553307 546050577 /nfs/dbraw/zinc/05/05/77/546050577.db2.gz KAHRPBZTHKJVLS-GZMMTYOYSA-N 0 0 310.379 1.113 10 30 DCEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCC[C@H]2C#N)nn1 ZINC000332905723 546065534 /nfs/dbraw/zinc/06/55/34/546065534.db2.gz WEUYBYZLSHABGO-YRRQLQLVSA-N 0 0 305.338 0.286 10 30 DCEERN N#Cc1sc(NCC[C@H]2CNCCS2(=O)=O)nc1Cl ZINC000721726608 664506721 /nfs/dbraw/zinc/50/67/21/664506721.db2.gz QHXYGMQSVALXDT-ZETCQYMHSA-N 0 0 320.827 0.857 10 30 DCEERN C#CCCOC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000052746328 657938816 /nfs/dbraw/zinc/93/88/16/657938816.db2.gz UPQLKJADZTVXIM-SNVBAGLBSA-N 0 0 306.343 0.680 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)Nc1cc(C#N)ccc1[O-])c2=O ZINC000176834743 658087384 /nfs/dbraw/zinc/08/73/84/658087384.db2.gz NEABUHVJZBKOSL-UHFFFAOYSA-N 0 0 324.300 0.346 10 30 DCEERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O ZINC000722701170 658425786 /nfs/dbraw/zinc/42/57/86/658425786.db2.gz VMCXETCMDIFUBO-ZJUUUORDSA-N 0 0 313.354 0.492 10 30 DCEERN N#Cc1c(F)cccc1S(=O)(=O)N1CCO[C@H](CO)C1 ZINC000167158207 658693932 /nfs/dbraw/zinc/69/39/32/658693932.db2.gz PJTSAKPIVSBFQP-VIFPVBQESA-N 0 0 300.311 0.079 10 30 DCEERN C#CCCOC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C ZINC000155235070 658914410 /nfs/dbraw/zinc/91/44/10/658914410.db2.gz LYQYHDCCSXRZBA-UHFFFAOYSA-N 0 0 315.329 0.375 10 30 DCEERN Cn1nncc1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329714650 659395802 /nfs/dbraw/zinc/39/58/02/659395802.db2.gz TWWQBFHCPKGRGB-LBPRGKRZSA-N 0 0 320.397 0.564 10 30 DCEERN C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000328076304 659487397 /nfs/dbraw/zinc/48/73/97/659487397.db2.gz FSBRQEKWRDNGFQ-MJBXVCDLSA-N 0 0 307.394 0.836 10 30 DCEERN CC(C)[C@]1(C)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O ZINC000738046828 661664418 /nfs/dbraw/zinc/66/44/18/661664418.db2.gz 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/nfs/dbraw/zinc/95/04/79/664950479.db2.gz HMCPRQCLZIEOFG-CQSZACIVSA-N 0 0 316.405 0.634 10 30 DCEERN CC(C)(C)N1C[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O ZINC000732651960 664950701 /nfs/dbraw/zinc/95/07/01/664950701.db2.gz KWSVPHVYDPPSTH-TZMCWYRMSA-N 0 0 318.421 0.832 10 30 DCEERN N#C[C@H]1CN(C(=O)CNC(=O)c2ccncc2)CCN1C1CC1 ZINC000732678606 664951046 /nfs/dbraw/zinc/95/10/46/664951046.db2.gz HLPJGWZNNCDARC-AWEZNQCLSA-N 0 0 313.361 0.010 10 30 DCEERN C[C@@H]1CCCCN1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732669795 664951182 /nfs/dbraw/zinc/95/11/82/664951182.db2.gz RIFYRQUAKOADLB-OCCSQVGLSA-N 0 0 312.439 0.778 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCCn2cncn2)CCN1C1CC1 ZINC000732673650 664951371 /nfs/dbraw/zinc/95/13/71/664951371.db2.gz CPNQWZWWHKBJBX-ZDUSSCGKSA-N 0 0 303.370 0.050 10 30 DCEERN CC(C)(C)NC(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732677191 664952035 /nfs/dbraw/zinc/95/20/35/664952035.db2.gz LLPVLYGTGQNIKR-CYBMUJFWSA-N 0 0 321.425 0.673 10 30 DCEERN C#CCCNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000733248089 666358420 /nfs/dbraw/zinc/35/84/20/666358420.db2.gz XKYVBAJPOJURNX-UHFFFAOYSA-N 0 0 319.386 0.720 10 30 DCEERN C#CCC(C)(C)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000185372206 666416013 /nfs/dbraw/zinc/41/60/13/666416013.db2.gz XNQFZCNVQRZVKQ-BQYQJAHWSA-N 0 0 304.346 0.690 10 30 DCEERN C#CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000733356591 666503692 /nfs/dbraw/zinc/50/36/92/666503692.db2.gz USKUFKZZBJVVKQ-UHFFFAOYSA-N 0 0 303.322 0.845 10 30 DCEERN C#C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)CCC)C(C)C ZINC000700571248 666733603 /nfs/dbraw/zinc/73/36/03/666733603.db2.gz CNPIDVUHALFMNL-CHWSQXEVSA-N 0 0 300.424 0.965 10 30 DCEERN C#CCNC(=O)CN1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000733993816 666833857 /nfs/dbraw/zinc/83/38/57/666833857.db2.gz DVRLGTUJYLEPJC-UHFFFAOYSA-N 0 0 317.349 0.251 10 30 DCEERN C=C(COC(=O)Cn1nnc2ccccc2c1=O)C(=O)OCC ZINC000734026113 666836944 /nfs/dbraw/zinc/83/69/44/666836944.db2.gz GIRFKSFFCPLLEY-UHFFFAOYSA-N 0 0 317.301 0.454 10 30 DCEERN C=C(COC(=O)COc1ccccc1C(N)=O)C(=O)OCC ZINC000734027117 666836959 /nfs/dbraw/zinc/83/69/59/666836959.db2.gz HBEJLIMFZPHVEC-UHFFFAOYSA-N 0 0 307.302 0.827 10 30 DCEERN CO[C@](C)(CO)CNS(=O)(=O)c1cccc(F)c1C#N ZINC000702537082 666967751 /nfs/dbraw/zinc/96/77/51/666967751.db2.gz NNFZPXNIXXSUFV-LBPRGKRZSA-N 0 0 302.327 0.373 10 30 DCEERN O=C(NCCNc1ccc([N+](=O)[O-])nc1)C1N=CC=CC1=O ZINC000735487732 666992185 /nfs/dbraw/zinc/99/21/85/666992185.db2.gz XLBGQDNFWDSELR-SEYXRHQNSA-N 0 0 303.278 0.928 10 30 DCEERN CN(Cc1cnccn1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000735579407 667007096 /nfs/dbraw/zinc/00/70/96/667007096.db2.gz JHXFHSBUORLPQA-UHFFFAOYSA-N 0 0 311.349 0.997 10 30 DCEERN C#CCCCS(=O)(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000710310181 667445991 /nfs/dbraw/zinc/44/59/91/667445991.db2.gz NQOWCRBRMHXWCD-UHFFFAOYSA-N 0 0 300.424 0.966 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](C(=O)OCC)C1 ZINC000741256684 667764705 /nfs/dbraw/zinc/76/47/05/667764705.db2.gz 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/nfs/dbraw/zinc/78/89/01/1173788901.db2.gz XLYCVYUBDXGBKU-UHFFFAOYSA-N 0 0 324.384 0.564 10 30 DCEERN C=CCN(CC(=O)OCC)S(=O)(=O)CCCC(=O)OC ZINC000096715484 1175893531 /nfs/dbraw/zinc/89/35/31/1175893531.db2.gz JWOKIMCJSJFZPG-UHFFFAOYSA-N 0 0 307.368 0.321 10 30 DCEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000408098423 529634542 /nfs/dbraw/zinc/63/45/42/529634542.db2.gz QPBKOSZYVIORNB-TUAOUCFPSA-N 0 0 311.407 0.685 10 30 DCEERN C=CCn1cc(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)nn1 ZINC000424909531 334936973 /nfs/dbraw/zinc/93/69/73/334936973.db2.gz UOOZBPZZIKMIDJ-CYBMUJFWSA-N 0 0 305.382 0.727 10 30 DCEERN O=C(N=S(=O)([O-])c1ccccc1)NC[C@@H]1C[NH2+]CCOC1 ZINC000072141858 191048966 /nfs/dbraw/zinc/04/89/66/191048966.db2.gz XBAOJDKKBORKSU-NSHDSACASA-N 0 0 313.379 0.115 10 30 DCEERN C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](CO)[C@]1(O)CC[C@H](OC(C)=O)[C@@]21C ZINC000004098194 290888912 /nfs/dbraw/zinc/88/89/12/290888912.db2.gz CLPRBVIHHFLWQY-SGXNCSQFSA-N 0 0 324.373 0.949 10 30 biogenic,in-vitro DCEERN N#Cc1cc(S(=O)(=O)NC2CCS(=O)CC2)ccc1F ZINC000163189384 237111816 /nfs/dbraw/zinc/11/18/16/237111816.db2.gz UWTLRHXIWKFWIW-UHFFFAOYSA-N 0 0 316.379 0.887 10 30 DCEERN C[C@H](C(=O)Nc1cccnc1-n1cncn1)N1CCOCC1 ZINC000328803302 238565349 /nfs/dbraw/zinc/56/53/49/238565349.db2.gz HBDKPGKFHFZRSY-LLVKDONJSA-N 0 0 302.338 0.971 10 30 DCEERN C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329151156 238593292 /nfs/dbraw/zinc/59/32/92/238593292.db2.gz ZZHSVWOZUGVNIW-QNWHQSFQSA-N 0 0 310.354 0.759 10 30 DCEERN N#CCCCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000360217672 239071680 /nfs/dbraw/zinc/07/16/80/239071680.db2.gz GYKDJXLREGDPLC-UHFFFAOYSA-N 0 0 306.410 0.741 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000366888560 239138626 /nfs/dbraw/zinc/13/86/26/239138626.db2.gz YBQUVAVEKIXYLG-IJLUTSLNSA-N 0 0 314.411 0.208 10 30 DCEERN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCN1C1CC1 ZINC000369220505 239165151 /nfs/dbraw/zinc/16/51/51/239165151.db2.gz SSODXVALVQCZFR-CQSZACIVSA-N 0 0 316.336 0.963 10 30 DCEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cnn(C)c1 ZINC000369796794 239170783 /nfs/dbraw/zinc/17/07/83/239170783.db2.gz ZIHMNTVKPDHEJU-SMDDNHRTSA-N 0 0 302.382 0.863 10 30 DCEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000375538234 239220506 /nfs/dbraw/zinc/22/05/06/239220506.db2.gz YMDLGNDBKUGKIM-HZSPNIEDSA-N 0 0 300.362 0.905 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000378279410 239247103 /nfs/dbraw/zinc/24/71/03/239247103.db2.gz BGONUPXCLCSFBD-LLVKDONJSA-N 0 0 312.420 0.812 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000407972039 239256731 /nfs/dbraw/zinc/25/67/31/239256731.db2.gz DNGLYRCIVNBISG-KPPDAEKUSA-N 0 0 302.400 0.099 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)co1 ZINC000425181705 240302612 /nfs/dbraw/zinc/30/26/12/240302612.db2.gz XLUXMGWELKWXMJ-ONGXEEELSA-N 0 0 315.347 0.936 10 30 DCEERN C=CCCn1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)nn1 ZINC000424687870 240260997 /nfs/dbraw/zinc/26/09/97/240260997.db2.gz REQWRDUDMFEXFA-LLVKDONJSA-N 0 0 304.272 0.994 10 30 DCEERN C=CCCCS(=O)(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000489861727 241097121 /nfs/dbraw/zinc/09/71/21/241097121.db2.gz QBEPZGWFBDQFDR-RYUDHWBXSA-N 0 0 324.468 0.590 10 30 DCEERN C[C@H](C(=O)Nc1c(C#N)cnn1C)N1c2ccccc2C(=O)C1=O ZINC000016893355 182062303 /nfs/dbraw/zinc/06/23/03/182062303.db2.gz XPMJVWJUIDJNBF-SECBINFHSA-N 0 0 323.312 0.848 10 30 DCEERN N#CCN(CC#N)c1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-] ZINC000040617887 183110031 /nfs/dbraw/zinc/11/00/31/183110031.db2.gz LKJOVQLLMVGMNC-UHFFFAOYSA-N 0 0 311.265 0.092 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)CC ZINC000273456562 210789135 /nfs/dbraw/zinc/78/91/35/210789135.db2.gz HCPLXYZJGWQZCZ-QJPTWQEYSA-N 0 0 300.424 0.987 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000273457647 210788975 /nfs/dbraw/zinc/78/89/75/210788975.db2.gz VCVPUBVZCGLBIZ-SNVBAGLBSA-N 0 0 308.334 0.696 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC(C(=O)N(CC)CC)CC1 ZINC000058524917 184121467 /nfs/dbraw/zinc/12/14/67/184121467.db2.gz LKNMMYXBXNOBJW-UHFFFAOYSA-N 0 0 324.425 0.579 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000282786274 533141754 /nfs/dbraw/zinc/14/17/54/533141754.db2.gz XISRBBPHIBOXJE-WCQYABFASA-N 0 0 311.411 0.893 10 30 DCEERN C=CCCCNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000289675776 335062598 /nfs/dbraw/zinc/06/25/98/335062598.db2.gz GKYKSRDVNPTVMY-UHFFFAOYSA-N 0 0 303.366 0.208 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000375708421 533396022 /nfs/dbraw/zinc/39/60/22/533396022.db2.gz UUJNMXPYKDDVTL-NWDGAFQWSA-N 0 0 312.399 0.394 10 30 DCEERN CC(=O)N[C@@H]1/C(=N\O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O ZINC000106380571 395782110 /nfs/dbraw/zinc/78/21/10/395782110.db2.gz PIYCZWMJRKZNLW-ALISGMCISA-N 0 0 322.317 0.153 10 30 DCEERN COC(=O)[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000108275538 395786779 /nfs/dbraw/zinc/78/67/79/395786779.db2.gz 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/nfs/dbraw/zinc/92/37/14/395923714.db2.gz XJUJCZVKQJIDAY-LBPRGKRZSA-N 0 0 307.350 0.861 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000273480451 395924200 /nfs/dbraw/zinc/92/42/00/395924200.db2.gz ZMNJSMNUMYSRIE-GFCCVEGCSA-N 0 0 320.345 0.773 10 30 DCEERN CN(c1nn(-c2ccccc2)nc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000256045903 396033494 /nfs/dbraw/zinc/03/34/94/396033494.db2.gz BPUJAMMVDRNUTK-LBPRGKRZSA-N 0 0 317.374 0.762 10 30 DCEERN COC(=O)Cc1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 ZINC000070302971 396100709 /nfs/dbraw/zinc/10/07/09/396100709.db2.gz KPZFNUVSQLPUJB-UHFFFAOYSA-N 0 0 307.331 0.440 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000171117334 396107077 /nfs/dbraw/zinc/10/70/77/396107077.db2.gz DMOFGNQRHIXFHO-UHFFFAOYSA-N 0 0 312.373 0.595 10 30 DCEERN N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000171617380 396120474 /nfs/dbraw/zinc/12/04/74/396120474.db2.gz JBRSHQIQWDVSJA-CQSZACIVSA-N 0 0 315.377 0.964 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCSC2)CC1 ZINC000074820282 396173066 /nfs/dbraw/zinc/17/30/66/396173066.db2.gz QIBJBTOYGDIASY-GFCCVEGCSA-N 0 0 312.439 0.121 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCCC(F)(F)F)CC1 ZINC000074898709 396173884 /nfs/dbraw/zinc/17/38/84/396173884.db2.gz LFGRNGBWJPXNEL-UHFFFAOYSA-N 0 0 322.331 0.568 10 30 DCEERN C=CCN(Cc1nsc(N(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000177489813 396177530 /nfs/dbraw/zinc/17/75/30/396177530.db2.gz PNJNSYYZHOHYBD-JTQLQIEISA-N 0 0 316.452 0.779 10 30 DCEERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1C#N ZINC000177634720 396180326 /nfs/dbraw/zinc/18/03/26/396180326.db2.gz UGBMXOPPPWUSEZ-NSHDSACASA-N 0 0 324.344 0.528 10 30 DCEERN C[C@H]1CN(S(=O)(=O)N(CCC#N)CC2CC2)C[C@H](C)O1 ZINC000078697226 396252852 /nfs/dbraw/zinc/25/28/52/396252852.db2.gz MYJHHWOIQAJSAN-RYUDHWBXSA-N 0 0 301.412 0.966 10 30 DCEERN C=CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000595116281 396550931 /nfs/dbraw/zinc/55/09/31/396550931.db2.gz OHRYCCILUNLBGL-UHFFFAOYSA-N 0 0 320.301 0.833 10 30 DCEERN C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000595222624 396565928 /nfs/dbraw/zinc/56/59/28/396565928.db2.gz LGMZTNHOSIRRSC-SNVBAGLBSA-N 0 0 306.318 0.383 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000581587838 396566823 /nfs/dbraw/zinc/56/68/23/396566823.db2.gz AISFSOJAKQLCNF-CYBMUJFWSA-N 0 0 319.409 0.471 10 30 DCEERN N#Cc1cnccc1N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000585788841 396655579 /nfs/dbraw/zinc/65/55/79/396655579.db2.gz ODZCEFFCWDTUCT-MRXNPFEDSA-N 0 0 300.362 0.907 10 30 DCEERN C=CCNC(=O)CN1CCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000600122934 396741711 /nfs/dbraw/zinc/74/17/11/396741711.db2.gz DTDLHJMBBFYNAW-UHFFFAOYSA-N 0 0 318.377 0.292 10 30 DCEERN C=CCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@H](C)COC ZINC000617583465 396760406 /nfs/dbraw/zinc/76/04/06/396760406.db2.gz JFBHBHBOIHXVBQ-CYBMUJFWSA-N 0 0 323.397 0.618 10 30 DCEERN CCOc1cccc(CCNC(=O)Cn2cnc(C#N)n2)n1 ZINC000610887388 396776321 /nfs/dbraw/zinc/77/63/21/396776321.db2.gz COPZPSBKDUTTSF-UHFFFAOYSA-N 0 0 300.322 0.302 10 30 DCEERN N#CCc1ccc(C(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000611147678 396824624 /nfs/dbraw/zinc/82/46/24/396824624.db2.gz HBVGFAPMEFQYSV-UHFFFAOYSA-N 0 0 321.402 0.908 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000611548525 396884649 /nfs/dbraw/zinc/88/46/49/396884649.db2.gz ZMBZDCFCZPSKAG-UHFFFAOYSA-N 0 0 324.308 0.870 10 30 DCEERN N#C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000332828582 396894670 /nfs/dbraw/zinc/89/46/70/396894670.db2.gz BUTJNWAKTSHPSY-ZOBORPQBSA-N 0 0 321.377 0.201 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000611629465 396897834 /nfs/dbraw/zinc/89/78/34/396897834.db2.gz IWSAKASQSRXRGC-VIFPVBQESA-N 0 0 312.395 0.733 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cnc(OC)c(OC)c1 ZINC000600610369 396899200 /nfs/dbraw/zinc/89/92/00/396899200.db2.gz TXSLDUZKNXIWLP-SECBINFHSA-N 0 0 308.338 0.911 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000625515156 396906425 /nfs/dbraw/zinc/90/64/25/396906425.db2.gz 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C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000612003498 396979156 /nfs/dbraw/zinc/97/91/56/396979156.db2.gz JLJSTWVQJBHFLC-JDFRZJQESA-N 0 0 322.405 0.457 10 30 DCEERN C=C1CC(C)(C(=O)N2CCN(CC(=O)NCCOC)CC2)C1 ZINC000630587663 397054596 /nfs/dbraw/zinc/05/45/96/397054596.db2.gz XEMFHOQZAMFWLA-UHFFFAOYSA-N 0 0 309.410 0.250 10 30 DCEERN N#CCc1cccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000619494265 397139142 /nfs/dbraw/zinc/13/91/42/397139142.db2.gz LZOCLOSWNFIVRN-NSHDSACASA-N 0 0 308.363 0.184 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000626361241 397145804 /nfs/dbraw/zinc/14/58/04/397145804.db2.gz BNJIZCGLJNKTQA-IVMMDQJWSA-N 0 0 317.389 0.902 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(CCNC(=O)c2cccnc2)C1=O ZINC000630969526 397149013 /nfs/dbraw/zinc/14/90/13/397149013.db2.gz FYTJUDAMCJNUCT-GFCCVEGCSA-N 0 0 302.334 0.698 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(Cc2ncccc2S(C)(=O)=O)C1=O ZINC000630983158 397151286 /nfs/dbraw/zinc/15/12/86/397151286.db2.gz 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ZINC000619613554 397159499 /nfs/dbraw/zinc/15/94/99/397159499.db2.gz LGKKTTYUBRZIIQ-SFYZADRCSA-N 0 0 303.244 0.500 10 30 DCEERN C=C[C@H](C(=O)OC)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000619719506 397183763 /nfs/dbraw/zinc/18/37/63/397183763.db2.gz FHSKTWTTYJXEPJ-OAHLLOKOSA-N 0 0 323.437 0.590 10 30 DCEERN CCN1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1=O ZINC000619797814 397194119 /nfs/dbraw/zinc/19/41/19/397194119.db2.gz QWHXRXPAZQKFJX-NSHDSACASA-N 0 0 311.338 0.596 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)OC)nn1 ZINC000601724803 397220516 /nfs/dbraw/zinc/22/05/16/397220516.db2.gz HHXIJXITYQLBSO-HZMBPMFUSA-N 0 0 308.338 0.257 10 30 DCEERN N#Cc1ccc(OCC(=O)NC2(CCO)CCOCC2)cc1 ZINC000613241375 397225413 /nfs/dbraw/zinc/22/54/13/397225413.db2.gz UCNQDEGFSOEYGE-UHFFFAOYSA-N 0 0 304.346 0.985 10 30 DCEERN C=CCNC(=O)CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000613292472 397239178 /nfs/dbraw/zinc/23/91/78/397239178.db2.gz DMDLVUQRXMAJAV-UHFFFAOYSA-N 0 0 315.373 0.973 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)OC ZINC000601770964 397242159 /nfs/dbraw/zinc/24/21/59/397242159.db2.gz GEOJNCAHPVBSSN-ZDUSSCGKSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OC ZINC000601780229 397243242 /nfs/dbraw/zinc/24/32/42/397243242.db2.gz BRDIMICRIMOJGV-GFCCVEGCSA-N 0 0 308.334 0.486 10 30 DCEERN C=C(C)C[C@@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000601783711 397244036 /nfs/dbraw/zinc/24/40/36/397244036.db2.gz XRKKUNZDHUUUIL-VXGBXAGGSA-N 0 0 317.407 0.825 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1cc(C(=O)OC)nn1C)C(=O)OC ZINC000601787307 397245067 /nfs/dbraw/zinc/24/50/67/397245067.db2.gz ILNPZMWZDYPBMJ-SECBINFHSA-N 0 0 309.322 0.444 10 30 DCEERN C=C(C)C[C@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)OC ZINC000601788567 397245295 /nfs/dbraw/zinc/24/52/95/397245295.db2.gz VSSGXKJUCWGGGR-JTQLQIEISA-N 0 0 310.354 0.692 10 30 DCEERN CC#CC[C@H](CO)NC(=O)CSCC(=O)OC(C)(C)C ZINC000592922530 397288102 /nfs/dbraw/zinc/28/81/02/397288102.db2.gz 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ZINC000597731503 397079021 /nfs/dbraw/zinc/07/90/21/397079021.db2.gz CBMPWLIBBYEDOE-WDEREUQCSA-N 0 0 321.381 0.225 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cncc(COC)c1)C(=O)OC ZINC000619511710 397142450 /nfs/dbraw/zinc/14/24/50/397142450.db2.gz NDOVJGCCLRLIQN-CYBMUJFWSA-N 0 0 308.334 0.702 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O ZINC000630984629 397152713 /nfs/dbraw/zinc/15/27/13/397152713.db2.gz XPJCLDIVLRPVBF-QWRGUYRKSA-N 0 0 300.380 0.698 10 30 DCEERN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)n1cnc(C#N)n1 ZINC000619589342 397154164 /nfs/dbraw/zinc/15/41/64/397154164.db2.gz DGFSJUAWYRGMOS-VIFPVBQESA-N 0 0 300.278 0.935 10 30 DCEERN C[C@@H](C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)n1cnc(C#N)n1 ZINC000619588984 397154242 /nfs/dbraw/zinc/15/42/42/397154242.db2.gz HIMPPDREBHOZKH-NWDGAFQWSA-N 0 0 324.344 0.632 10 30 DCEERN C[C@@H](C(=O)N1CCOC[C@H]1c1ccco1)n1cnc(C#N)n1 ZINC000619593343 397154371 /nfs/dbraw/zinc/15/43/71/397154371.db2.gz UEDLHZBEWTUWPL-QWRGUYRKSA-N 0 0 301.306 0.904 10 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/nfs/dbraw/zinc/11/13/24/397111324.db2.gz PZNWFZXEVDZDSB-DRZSPHRISA-N 0 0 312.366 0.246 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000612679119 397120371 /nfs/dbraw/zinc/12/03/71/397120371.db2.gz NECRYMDSPNTKPE-CABCVRRESA-N 0 0 311.426 0.372 10 30 DCEERN C=CCCn1cc(C(=O)NCc2ccc(C(=O)OC)nc2)nn1 ZINC000602110475 397304752 /nfs/dbraw/zinc/30/47/52/397304752.db2.gz RHEBXHJWIBDWGS-UHFFFAOYSA-N 0 0 315.333 0.966 10 30 DCEERN Cc1cccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1C#N ZINC000407953719 397334680 /nfs/dbraw/zinc/33/46/80/397334680.db2.gz CWHWGFDHXNAPQI-UHFFFAOYSA-N 0 0 319.386 0.862 10 30 DCEERN C=CCN(C)C(=O)C(=O)NCCOCC(=O)OC(C)(C)C ZINC000602319492 397370946 /nfs/dbraw/zinc/37/09/46/397370946.db2.gz DWRWOSBMDIFSPQ-UHFFFAOYSA-N 0 0 300.355 0.105 10 30 DCEERN CC(=O)N1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593525809 397381785 /nfs/dbraw/zinc/38/17/85/397381785.db2.gz KLZOWMQQYWGMIW-UHFFFAOYSA-N 0 0 313.404 0.909 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000614375846 397428787 /nfs/dbraw/zinc/42/87/87/397428787.db2.gz ZCEMZBLWQITWTB-WZRBSPASSA-N 0 0 305.382 0.308 10 30 DCEERN CC#CCN(C)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000458414467 397428832 /nfs/dbraw/zinc/42/88/32/397428832.db2.gz CNGWOZJRUZJMRU-UHFFFAOYSA-N 0 0 320.437 0.595 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599962920 397553971 /nfs/dbraw/zinc/55/39/71/397553971.db2.gz ZAURMMZTWRDPGW-JTQLQIEISA-N 0 0 321.308 0.698 10 30 DCEERN C=C[C@@H](C(=O)OC)n1cc(CNCC(=O)OC(C)(C)C)nn1 ZINC000603231913 397587224 /nfs/dbraw/zinc/58/72/24/397587224.db2.gz BGMJMWDTPMTVPK-NSHDSACASA-N 0 0 310.354 0.610 10 30 DCEERN C=CCNC(=O)NC(=O)CN(C)Cc1c(C)nn(CC)c1C ZINC000602927753 397526047 /nfs/dbraw/zinc/52/60/47/397526047.db2.gz YIKUMFPQXQJVCO-UHFFFAOYSA-N 0 0 307.398 0.963 10 30 DCEERN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CC1 ZINC000605582704 397669007 /nfs/dbraw/zinc/66/90/07/397669007.db2.gz GHBXBZXCXPGUBA-LLVKDONJSA-N 0 0 308.425 0.001 10 30 DCEERN COC(=O)[C@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000092013369 158111494 /nfs/dbraw/zinc/11/14/94/158111494.db2.gz WTPJHTNSGSEGOY-BXUZGUMPSA-N 0 0 314.345 0.968 10 30 DCEERN CCc1nnc(N[C@@H]2CCCN(CCO)C2=O)c(C#N)c1CC ZINC000133202353 158316980 /nfs/dbraw/zinc/31/69/80/158316980.db2.gz WDDOOXYLZJIPOQ-CQSZACIVSA-N 0 0 317.393 0.868 10 30 DCEERN Cc1nc(C(=O)NC[C@@](C)(O)CN2CCOCC2)ccc1C#N ZINC000176905604 158442878 /nfs/dbraw/zinc/44/28/78/158442878.db2.gz ANEUMDMYFSLZCF-MRXNPFEDSA-N 0 0 318.377 0.075 10 30 DCEERN Cc1nc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1C#N ZINC000408015553 160011514 /nfs/dbraw/zinc/01/15/14/160011514.db2.gz DCTSDSSGYJUMBX-NSHDSACASA-N 0 0 308.363 0.155 10 30 DCEERN N#Cc1cccnc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408033702 160018024 /nfs/dbraw/zinc/01/80/24/160018024.db2.gz ATFWMLKUQGWJJM-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN Cc1cc(C#N)nc(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000408107732 160037162 /nfs/dbraw/zinc/03/71/62/160037162.db2.gz QFKMJPRADHLEJY-RYUDHWBXSA-N 0 0 309.395 0.929 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)o1 ZINC000408114055 160038875 /nfs/dbraw/zinc/03/88/75/160038875.db2.gz VTKFDZRYEPGQFT-SECBINFHSA-N 0 0 307.335 0.838 10 30 DCEERN COC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000130385379 286993875 /nfs/dbraw/zinc/99/38/75/286993875.db2.gz RLPDPTAUAROEDF-JTQLQIEISA-N 0 0 318.782 0.887 10 30 DCEERN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CCCO1 ZINC000247019879 287090307 /nfs/dbraw/zinc/09/03/07/287090307.db2.gz HJPXBEUODKWRQF-CHWSQXEVSA-N 0 0 315.377 0.954 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)CCS(=O)(=O)N(C)C ZINC000270743175 415259588 /nfs/dbraw/zinc/25/95/88/415259588.db2.gz ALSMWRAOQJGFNM-UHFFFAOYSA-N 0 0 302.318 0.845 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081085037 415483758 /nfs/dbraw/zinc/48/37/58/415483758.db2.gz XKCZYMGOIZOXDK-GZMMTYOYSA-N 0 0 309.288 0.386 10 30 DCEERN C=CCNC(=O)c1ccc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc1 ZINC000285022388 415604869 /nfs/dbraw/zinc/60/48/69/415604869.db2.gz MXACNIVMGLKZAI-HUUCEWRRSA-N 0 0 316.405 0.907 10 30 DCEERN N#C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000333541288 415677381 /nfs/dbraw/zinc/67/73/81/415677381.db2.gz NWUXFWVVRLUXLR-OAGGEKHMSA-N 0 0 314.389 0.924 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1c(C)nn(C)c1-n1ccnc1C ZINC000343790901 415731658 /nfs/dbraw/zinc/73/16/58/415731658.db2.gz CZSXFKXZJMPGEP-GFCCVEGCSA-N 0 0 303.366 0.889 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC(=O)Nc2ccccc21 ZINC000118846533 415736850 /nfs/dbraw/zinc/73/68/50/415736850.db2.gz WUIURGFIFSXHNY-UHFFFAOYSA-N 0 0 302.334 0.847 10 30 DCEERN C=CCOc1ccccc1CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000354178983 415777630 /nfs/dbraw/zinc/77/76/30/415777630.db2.gz MNIKFHAOGKHZCX-CYBMUJFWSA-N 0 0 301.346 0.987 10 30 DCEERN C#CCC1(C(=O)Nc2cn(C)c(=O)n(C)c2=O)CCCCC1 ZINC000291426812 415833903 /nfs/dbraw/zinc/83/39/03/415833903.db2.gz GXQJCTJVAKNZIZ-UHFFFAOYSA-N 0 0 303.362 0.996 10 30 DCEERN C#C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000122979264 415839826 /nfs/dbraw/zinc/83/98/26/415839826.db2.gz RWNZLDNBUVXCCR-QMMMGPOBSA-N 0 0 312.303 0.681 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(F)c(F)cc1OC ZINC000290668445 415822190 /nfs/dbraw/zinc/82/21/90/415822190.db2.gz CYOISXSMSNDYJW-QMMMGPOBSA-N 0 0 314.288 0.965 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)C(F)(F)F)C1=O ZINC000294399500 415870157 /nfs/dbraw/zinc/87/01/57/415870157.db2.gz LCNYAUHDBQFBCM-UHFFFAOYSA-N 0 0 321.255 0.420 10 30 DCEERN Cc1cc([N+](=O)[O-])cn(CC(=O)N(CCC#N)CCC#N)c1=O ZINC000127167969 415884766 /nfs/dbraw/zinc/88/47/66/415884766.db2.gz BCBWUHQQPVBNIW-UHFFFAOYSA-N 0 0 317.305 0.721 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133769289 415951749 /nfs/dbraw/zinc/95/17/49/415951749.db2.gz ZIAHZXBYALMREX-UHFFFAOYSA-N 0 0 300.318 0.154 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000297611107 415965067 /nfs/dbraw/zinc/96/50/67/415965067.db2.gz 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/nfs/dbraw/zinc/03/52/38/397035238.db2.gz MOMDIGDWOCMTHJ-JTQLQIEISA-N 0 0 305.338 0.329 10 30 DCEERN C=C1CC(C)(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000630739390 397096922 /nfs/dbraw/zinc/09/69/22/397096922.db2.gz WABZZRXGMMXBLD-NSHDSACASA-N 0 0 314.407 0.104 10 30 DCEERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000619221121 397100247 /nfs/dbraw/zinc/10/02/47/397100247.db2.gz OBKFFDFFIPAPFB-JKSUJKDBSA-N 0 0 303.362 0.752 10 30 DCEERN CC(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1O ZINC000612426466 397053220 /nfs/dbraw/zinc/05/32/20/397053220.db2.gz COUVCYCIZRFKDB-UHFFFAOYSA-N 0 0 315.329 0.793 10 30 DCEERN C=CCN(CCC#N)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000597683061 397060725 /nfs/dbraw/zinc/06/07/25/397060725.db2.gz BVQBKLPVLJDJNH-UHFFFAOYSA-N 0 0 304.354 0.497 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O ZINC000630979296 397151233 /nfs/dbraw/zinc/15/12/33/397151233.db2.gz RCNGZYLPTGUSIG-GHMZBOCLSA-N 0 0 315.395 0.297 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000630979966 397151476 /nfs/dbraw/zinc/15/14/76/397151476.db2.gz VVPWJVVFCKYBBD-CHWSQXEVSA-N 0 0 321.377 0.653 10 30 DCEERN C[C@@H](C(=O)NCCN1C(=O)Cc2ccccc21)n1cnc(C#N)n1 ZINC000619590283 397154305 /nfs/dbraw/zinc/15/43/05/397154305.db2.gz LDRWYCQKEQUQDR-NSHDSACASA-N 0 0 324.344 0.416 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000601502648 397154464 /nfs/dbraw/zinc/15/44/64/397154464.db2.gz SAGCVVYBPDRKHJ-JTQLQIEISA-N 0 0 301.368 0.515 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)OC ZINC000601502414 397154974 /nfs/dbraw/zinc/15/49/74/397154974.db2.gz VDZPHUIVXYYZRT-WOPDTQHZSA-N 0 0 305.396 0.981 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)OC ZINC000601502905 397155796 /nfs/dbraw/zinc/15/57/96/397155796.db2.gz WBSSARRJDPJYJE-VXGBXAGGSA-N 0 0 305.396 0.983 10 30 DCEERN C[C@@H](C(=O)NCc1ccc2c(c1)C(=O)NCC2)n1cnc(C#N)n1 ZINC000619599012 397156081 /nfs/dbraw/zinc/15/60/81/397156081.db2.gz 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Cc1ncc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1C#N ZINC000408361071 397355057 /nfs/dbraw/zinc/35/50/57/397355057.db2.gz CDNJAZXUJZYDJN-RYUDHWBXSA-N 0 0 308.407 0.975 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000602278845 397360441 /nfs/dbraw/zinc/36/04/41/397360441.db2.gz GKFWYOAIYFWPQG-HXUWFJFHSA-N 0 0 300.424 0.732 10 30 DCEERN C=C(C)COCCNC(=O)N1CCO[C@@](C)(C(=O)OCC)C1 ZINC000602282396 397362372 /nfs/dbraw/zinc/36/23/72/397362372.db2.gz PSZWXBORCBWFAY-OAHLLOKOSA-N 0 0 314.382 0.943 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000614061581 397370684 /nfs/dbraw/zinc/37/06/84/397370684.db2.gz LHYKKBFALHNDTP-ZIAGYGMSSA-N 0 0 308.378 0.664 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000613775952 397320122 /nfs/dbraw/zinc/32/01/22/397320122.db2.gz BVPDUGDQWRPOEE-AWEZNQCLSA-N 0 0 311.426 0.372 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@]2(CCSC2)C1 ZINC000578440211 397435104 /nfs/dbraw/zinc/43/51/04/397435104.db2.gz 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/nfs/dbraw/zinc/60/58/06/397605806.db2.gz ASYJPQQLOSOQMD-LLVKDONJSA-N 0 0 309.384 0.075 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)C(=O)OC ZINC000603398340 397606410 /nfs/dbraw/zinc/60/64/10/397606410.db2.gz SWQAYMMELGFWLG-QCNOEVLYSA-N 0 0 303.380 0.734 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)C(=O)OC ZINC000603398336 397606439 /nfs/dbraw/zinc/60/64/39/397606439.db2.gz SWQAYMMELGFWLG-IRCOFANPSA-N 0 0 303.380 0.734 10 30 DCEERN N#Cc1cc(S(=O)(=O)NCc2nnnn2C2CC2)ccc1F ZINC000610269127 397812196 /nfs/dbraw/zinc/81/21/96/397812196.db2.gz KVAZWLNUIJJKNX-UHFFFAOYSA-N 0 0 322.325 0.497 10 30 DCEERN N#Cc1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nc1 ZINC000610472024 397824144 /nfs/dbraw/zinc/82/41/44/397824144.db2.gz XLTHEBYEBHIKSA-AWEZNQCLSA-N 0 0 314.345 0.463 10 30 DCEERN CCOCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000123378899 158229119 /nfs/dbraw/zinc/22/91/19/158229119.db2.gz OQRIUSDZJXUHGC-UHFFFAOYSA-N 0 0 303.366 0.821 10 30 DCEERN C[C@@H](CCNS(=O)(=O)c1cccc(C#N)c1)[S@](C)=O ZINC000124036528 158236862 /nfs/dbraw/zinc/23/68/62/158236862.db2.gz IUEOCCMDSPRHCH-XTZNXHDOSA-N 0 0 300.405 0.994 10 30 DCEERN COC(=O)CCCCCNS(=O)(=O)c1ccc(C#N)nc1 ZINC000165967138 158366097 /nfs/dbraw/zinc/36/60/97/158366097.db2.gz BRRHZMUSWFYSCS-UHFFFAOYSA-N 0 0 311.363 0.965 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000171287839 158382397 /nfs/dbraw/zinc/38/23/97/158382397.db2.gz BOPUZLWOIZLGAB-GXTWGEPZSA-N 0 0 303.362 0.772 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCO[C@H](C3CCCCC3)C2)n1 ZINC000329426916 159091874 /nfs/dbraw/zinc/09/18/74/159091874.db2.gz JHRYVTQMTLIOKF-ZDUSSCGKSA-N 0 0 303.366 0.957 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368705745 159412600 /nfs/dbraw/zinc/41/26/00/159412600.db2.gz FCVIRUWKTRSYAD-HNNXBMFYSA-N 0 0 321.402 0.404 10 30 DCEERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000408026773 160015187 /nfs/dbraw/zinc/01/51/87/160015187.db2.gz GTIWLZJWRLOVQG-GXTWGEPZSA-N 0 0 315.377 0.962 10 30 DCEERN N#Cc1cccnc1N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408033254 160017790 /nfs/dbraw/zinc/01/77/90/160017790.db2.gz JQKDNQMSGXWVJZ-OLZOCXBDSA-N 0 0 304.325 0.729 10 30 DCEERN Cc1onc(CC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1C#N ZINC000408059447 160025652 /nfs/dbraw/zinc/02/56/52/160025652.db2.gz QBNBPGKNYCNORL-UONOGXRCSA-N 0 0 304.350 0.329 10 30 DCEERN N#Cc1cccnc1N1CCN(C(=O)C2(O)CCOCC2)CC1 ZINC000408308975 160082733 /nfs/dbraw/zinc/08/27/33/160082733.db2.gz KGWNBKCVFRDZAV-UHFFFAOYSA-N 0 0 316.361 0.143 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000249441300 287111011 /nfs/dbraw/zinc/11/10/11/287111011.db2.gz FNGKLYYOQSOTJB-UHIISALHSA-N 0 0 301.346 0.966 10 30 DCEERN C[C@@H]1CC(CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C[C@@H](C)O1 ZINC000329179538 287220535 /nfs/dbraw/zinc/22/05/35/287220535.db2.gz MTWKAVLRPBCJHN-MHDGFBEUSA-N 0 0 323.397 0.925 10 30 DCEERN C#CCOc1cccc(NC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000271201737 415261783 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C=CCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000353441815 415547561 /nfs/dbraw/zinc/54/75/61/415547561.db2.gz QPROGUPVXPUKSI-ZDUSSCGKSA-N 0 0 319.409 0.540 10 30 DCEERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000285098371 415606936 /nfs/dbraw/zinc/60/69/36/415606936.db2.gz PXRKPGIBUHHNOW-HUUCEWRRSA-N 0 0 321.402 0.652 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000285494238 415615759 /nfs/dbraw/zinc/61/57/59/415615759.db2.gz XALIHSFIVZWUPI-UHFFFAOYSA-N 0 0 300.302 0.599 10 30 DCEERN N#C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000106234552 415641986 /nfs/dbraw/zinc/64/19/86/415641986.db2.gz MMYQVBTVHAZNPU-SSDOTTSWSA-N 0 0 303.321 0.569 10 30 DCEERN C[C@@](C#N)(NC(=O)CN1c2ccccc2C[C@H]1C(N)=O)C1CC1 ZINC000101547910 415595862 /nfs/dbraw/zinc/59/58/62/415595862.db2.gz KNEKBLUIUZGGRR-YOEHRIQHSA-N 0 0 312.373 0.711 10 30 DCEERN C#CCSCCNC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000291234183 415829593 /nfs/dbraw/zinc/82/95/93/415829593.db2.gz DFWQSZWMIVNHRT-UHFFFAOYSA-N 0 0 306.391 0.719 10 30 DCEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2CO)n1 ZINC000121229050 415798223 /nfs/dbraw/zinc/79/82/23/415798223.db2.gz QSMALKXFFLZQFO-LLVKDONJSA-N 0 0 319.365 0.432 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000294543906 415874458 /nfs/dbraw/zinc/87/44/58/415874458.db2.gz MSUGKEPDYMNRQV-NSHDSACASA-N 0 0 301.350 0.414 10 30 DCEERN N#CCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000126431785 415875169 /nfs/dbraw/zinc/87/51/69/415875169.db2.gz OWPXXTDNRICICI-NSHDSACASA-N 0 0 318.358 0.240 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cnc(OC)nc2C)CC1 ZINC000337138168 415914207 /nfs/dbraw/zinc/91/42/07/415914207.db2.gz QHDNWWLTODTLDU-UHFFFAOYSA-N 0 0 319.409 0.213 10 30 DCEERN C=CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000130105254 415914373 /nfs/dbraw/zinc/91/43/73/415914373.db2.gz SGPDUZPBFJIXHA-CYBMUJFWSA-N 0 0 316.423 0.463 10 30 DCEERN C=CCCOCCCCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000344435822 415916560 /nfs/dbraw/zinc/91/65/60/415916560.db2.gz CMUIHSYTWYPWFB-UHFFFAOYSA-N 0 0 309.366 0.786 10 30 DCEERN N#Cc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1Cl ZINC000133715397 415947703 /nfs/dbraw/zinc/94/77/03/415947703.db2.gz QRWWEMXLVDJESE-UHFFFAOYSA-N 0 0 320.736 0.499 10 30 DCEERN N#Cc1ccnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000296537850 415933872 /nfs/dbraw/zinc/93/38/72/415933872.db2.gz NQTRGCLNTIVXDU-UHFFFAOYSA-N 0 0 314.393 0.483 10 30 DCEERN C[C@H](CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)Cn1cccn1 ZINC000328894539 416137595 /nfs/dbraw/zinc/13/75/95/416137595.db2.gz UWWZUEQLNGORBK-ILXRZTDVSA-N 0 0 321.425 0.838 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177241288 416141497 /nfs/dbraw/zinc/14/14/97/416141497.db2.gz RWYVBTACQHKRLO-VYDXJSESSA-N 0 0 322.453 0.693 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2nc(C)cs2)CC1 ZINC000338973402 416148943 /nfs/dbraw/zinc/14/89/43/416148943.db2.gz DNWHRZNXZPAXNB-UHFFFAOYSA-N 0 0 323.422 0.903 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000178712963 416170681 /nfs/dbraw/zinc/17/06/81/416170681.db2.gz PQYOKBBEHYJYSU-GJZGRUSLSA-N 0 0 315.354 0.890 10 30 DCEERN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCC[C@@H]2C)nn1 ZINC000329545367 416176172 /nfs/dbraw/zinc/17/61/72/416176172.db2.gz GPORTKXJSYPCDU-CYZMBNFOSA-N 0 0 309.370 0.763 10 30 DCEERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(C)C ZINC000178924824 416178152 /nfs/dbraw/zinc/17/81/52/416178152.db2.gz BYIMUIJLENNLQQ-LBPRGKRZSA-N 0 0 313.354 0.746 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCN2CCOC[C@H]2C#N)c1 ZINC000179003423 416178963 /nfs/dbraw/zinc/17/89/63/416178963.db2.gz NRRZVKWWTQOPSD-CYBMUJFWSA-N 0 0 305.359 0.556 10 30 DCEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000346455603 416194913 /nfs/dbraw/zinc/19/49/13/416194913.db2.gz GANRZZLQQHCRPG-TZMCWYRMSA-N 0 0 317.455 0.976 10 30 DCEERN N#Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c[nH]1 ZINC000181184257 416204621 /nfs/dbraw/zinc/20/46/21/416204621.db2.gz DKTNIHZLNHEHFX-GFCCVEGCSA-N 0 0 316.361 0.597 10 30 DCEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000347506698 416218085 /nfs/dbraw/zinc/21/80/85/416218085.db2.gz XHYLKIJSEMUVCP-VXGBXAGGSA-N 0 0 319.427 0.037 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCn1cc(C(=O)OC)nn1 ZINC000341725588 416226715 /nfs/dbraw/zinc/22/67/15/416226715.db2.gz JYMDOSMSVNVWMW-JQWIXIFHSA-N 0 0 308.338 0.162 10 30 DCEERN CC(C)[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329247497 416158260 /nfs/dbraw/zinc/15/82/60/416158260.db2.gz WDJWEBQPVOGHEH-XQQFMLRXSA-N 0 0 309.370 0.489 10 30 DCEERN C=C[C@](C)(O)CC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000330898686 416247293 /nfs/dbraw/zinc/24/72/93/416247293.db2.gz ILWMFGZBKDPMJJ-HNNXBMFYSA-N 0 0 306.366 0.461 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000185728916 416255343 /nfs/dbraw/zinc/25/53/43/416255343.db2.gz PJIQHPQDDSBZOF-NWDGAFQWSA-N 0 0 304.412 0.100 10 30 DCEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000352238290 416310239 /nfs/dbraw/zinc/31/02/39/416310239.db2.gz NTDOARMERVKBFL-CZUORRHYSA-N 0 0 310.394 0.865 10 30 DCEERN C[C@@H]1CCNC(=O)[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000193573489 416317714 /nfs/dbraw/zinc/31/77/14/416317714.db2.gz GVIDQPYZZJJNQC-BXUZGUMPSA-N 0 0 321.402 0.446 10 30 DCEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CCO)[C@H](C)C1 ZINC000249546397 416334394 /nfs/dbraw/zinc/33/43/94/416334394.db2.gz GJEKVMLQGBUZDC-ZIAGYGMSSA-N 0 0 316.405 0.884 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195503407 416326570 /nfs/dbraw/zinc/32/65/70/416326570.db2.gz YSFJFIODAHMYKD-UHFFFAOYSA-N 0 0 305.382 0.611 10 30 DCEERN CN1CCN(Cc2ccccc2)[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000596553282 416584845 /nfs/dbraw/zinc/58/48/45/416584845.db2.gz YBGWDNZNTUMSCJ-KRWDZBQOSA-N 0 0 322.416 1.576 10 30 DCEERN C#CCC(CC#C)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000367942959 416654492 /nfs/dbraw/zinc/65/44/92/416654492.db2.gz FKGNKHDAVIOOMH-UHFFFAOYSA-N 0 0 322.430 0.676 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000615187580 416782731 /nfs/dbraw/zinc/78/27/31/416782731.db2.gz HTBUMKDXESSKSU-OLZOCXBDSA-N 0 0 316.423 0.350 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000370446148 416892839 /nfs/dbraw/zinc/89/28/39/416892839.db2.gz AVTAPFXVSSAXGT-MRVPVSSYSA-N 0 0 308.367 1.295 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000564879916 416898836 /nfs/dbraw/zinc/89/88/36/416898836.db2.gz FSXVNETWLKNJOL-SRVKXCTJSA-N 0 0 316.423 0.842 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615939358 416938832 /nfs/dbraw/zinc/93/88/32/416938832.db2.gz VMQIUPUVCREONO-RYUDHWBXSA-N 0 0 303.428 0.763 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000616122029 416968441 /nfs/dbraw/zinc/96/84/41/416968441.db2.gz AHSBHSSOZBOOOX-KGLIPLIRSA-N 0 0 324.425 0.720 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000616191037 416986152 /nfs/dbraw/zinc/98/61/52/416986152.db2.gz NKFVUSMQUBIZJT-IHRRRGAJSA-N 0 0 307.394 0.727 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC000632301002 417013130 /nfs/dbraw/zinc/01/31/30/417013130.db2.gz JWVURAKVKNRWII-DYEKYZERSA-N 0 0 316.423 0.508 10 30 DCEERN CC(=O)N[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)C1CCCC1 ZINC000565971751 417039163 /nfs/dbraw/zinc/03/91/63/417039163.db2.gz HYGHMKBLTPMYSW-OAHLLOKOSA-N 0 0 320.393 0.266 10 30 DCEERN C=C[C@H](O)C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000616524986 417070360 /nfs/dbraw/zinc/07/03/60/417070360.db2.gz GNPNUYZOKIVYRM-ZDUSSCGKSA-N 0 0 316.336 0.897 10 30 DCEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(=O)N(C)CC1 ZINC000624850101 417124484 /nfs/dbraw/zinc/12/44/84/417124484.db2.gz NWCQZYQYKGAAAR-UHFFFAOYSA-N 0 0 301.354 0.523 10 30 DCEERN C=CCn1c(C)nnc1N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000624818690 417119358 /nfs/dbraw/zinc/11/93/58/417119358.db2.gz XAFBAAWQUDXTDB-LBPRGKRZSA-N 0 0 313.427 0.538 10 30 DCEERN C=CCn1c(C(C)C)nnc1N1CCO[C@@H](CNC(=O)NC)C1 ZINC000624826771 417121900 /nfs/dbraw/zinc/12/19/00/417121900.db2.gz UBPGHCHDEYWKOV-LBPRGKRZSA-N 0 0 322.413 0.722 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CC[S@](=O)CC[C@@H]1C ZINC000407959158 417126808 /nfs/dbraw/zinc/12/68/08/417126808.db2.gz SVCVDHBYQKEKER-LIBAHTEVSA-N 0 0 307.441 0.166 10 30 DCEERN C=CCc1ccc(OCC(=O)N[C@H]2CCNC2=O)c(OC)c1 ZINC000616971997 417147161 /nfs/dbraw/zinc/14/71/61/417147161.db2.gz ZXEVHXKVYKGLLM-LBPRGKRZSA-N 0 0 304.346 0.807 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000632616700 417193232 /nfs/dbraw/zinc/19/32/32/417193232.db2.gz IGWCHCBVJMWWFE-CHWSQXEVSA-N 0 0 312.410 0.703 10 30 DCEERN C=CCCn1cc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)nn1 ZINC000632635595 417209524 /nfs/dbraw/zinc/20/95/24/417209524.db2.gz CWARKBKNORIJEC-ZYHUDNBSSA-N 0 0 300.384 0.451 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCC(=O)[C@H]2C)CC1 ZINC000527221683 417226774 /nfs/dbraw/zinc/22/67/74/417226774.db2.gz FTIVOMIUKOBHBF-UONOGXRCSA-N 0 0 321.421 0.438 10 30 DCEERN COCCOCCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451110705 417297843 /nfs/dbraw/zinc/29/78/43/417297843.db2.gz FSJHLGFADSCBAC-UHFFFAOYSA-N 0 0 316.354 0.780 10 30 DCEERN C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(C)CCCO1 ZINC000573321937 417469699 /nfs/dbraw/zinc/46/96/99/417469699.db2.gz UAUDTVAZSSEVDA-OAHLLOKOSA-N 0 0 305.382 0.768 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC000573364261 417470794 /nfs/dbraw/zinc/47/07/94/417470794.db2.gz OSBNHESWSRTKGF-GWCFXTLKSA-N 0 0 304.350 0.841 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000573607618 417474840 /nfs/dbraw/zinc/47/48/40/417474840.db2.gz QTZNEYUGWQLECS-GFCCVEGCSA-N 0 0 303.362 0.952 10 30 DCEERN C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC(=O)N1 ZINC000453051559 417521795 /nfs/dbraw/zinc/52/17/95/417521795.db2.gz ZVAZRZBQMLPSKH-BONVTDFDSA-N 0 0 309.366 0.595 10 30 DCEERN CNC(=O)CN1CCC(NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670316 417589826 /nfs/dbraw/zinc/58/98/26/417589826.db2.gz TUWHNAKQEMXEIQ-UHFFFAOYSA-N 0 0 314.389 0.427 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1nn(C)cc1Br ZINC000455350066 417601018 /nfs/dbraw/zinc/60/10/18/417601018.db2.gz BBIWRALUOFBSCD-MRVPVSSYSA-N 0 0 317.187 0.919 10 30 DCEERN C=CC(C)(C)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000628317103 417605666 /nfs/dbraw/zinc/60/56/66/417605666.db2.gz VZSNEGATXDKXLR-UHFFFAOYSA-N 0 0 300.384 0.249 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000628490762 417626383 /nfs/dbraw/zinc/62/63/83/417626383.db2.gz GHMOUYIPFILUFY-CHWSQXEVSA-N 0 0 300.424 0.530 10 30 DCEERN C=CCOCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628726763 417683184 /nfs/dbraw/zinc/68/31/84/417683184.db2.gz FMQUQJHHSKHSHT-LLVKDONJSA-N 0 0 302.338 0.022 10 30 DCEERN C=CCC[C@H](CO)NC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000456765424 417663083 /nfs/dbraw/zinc/66/30/83/417663083.db2.gz GWMTWPSHNUIVBI-LLVKDONJSA-N 0 0 312.391 0.699 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000530671756 269801783 /nfs/dbraw/zinc/80/17/83/269801783.db2.gz OHYGCFRUGHRPNY-CQSZACIVSA-N 0 0 321.402 0.641 10 30 DCEERN N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000318203076 261176702 /nfs/dbraw/zinc/17/67/02/261176702.db2.gz WYSMQJCBYLTQNO-ZIAGYGMSSA-N 0 0 319.386 0.598 10 30 DCEERN Cc1ncc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1C#N ZINC000320322239 261177034 /nfs/dbraw/zinc/17/70/34/261177034.db2.gz HGQULUATEVNSOX-MWLCHTKSSA-N 0 0 322.390 0.536 10 30 DCEERN CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(C#N)n1C ZINC000448863445 267052301 /nfs/dbraw/zinc/05/23/01/267052301.db2.gz BPJOMIRJWJAQKH-GFCCVEGCSA-N 0 0 306.391 0.890 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000114740988 278781495 /nfs/dbraw/zinc/78/14/95/278781495.db2.gz KWFYVHXGXWSVIW-LBPRGKRZSA-N 0 0 317.374 0.752 10 30 DCEERN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000548052445 288106046 /nfs/dbraw/zinc/10/60/46/288106046.db2.gz BDULXHKFYZFJNY-UKRRQHHQSA-N 0 0 302.330 0.626 10 30 DCEERN 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C=CCNC(=O)CN1CCN(C[C@@H](O)c2ccccc2C)CC1 ZINC000158710860 657955833 /nfs/dbraw/zinc/95/58/33/657955833.db2.gz NGGHWWGHKHBCLB-QGZVFWFLSA-N 0 0 317.433 0.948 10 30 DCEERN NC(=O)c1coc(CNC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000187903822 658179437 /nfs/dbraw/zinc/17/94/37/658179437.db2.gz PWRFGYBTTRBUMT-UHFFFAOYSA-N 0 0 312.281 0.775 10 30 DCEERN C#CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000723033276 658206882 /nfs/dbraw/zinc/20/68/82/658206882.db2.gz CCMSDIGRTDDHBF-UHFFFAOYSA-N 0 0 300.424 0.918 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)NC[C@]2(CCO)CCOC2)c1 ZINC000160896799 658676036 /nfs/dbraw/zinc/67/60/36/658676036.db2.gz GYZWTGYXSJTYII-KRWDZBQOSA-N 0 0 316.357 0.512 10 30 DCEERN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CCc1ccnn1C ZINC000123264282 659415373 /nfs/dbraw/zinc/41/53/73/659415373.db2.gz ICZWOBGJVLULNO-CQSZACIVSA-N 0 0 320.393 0.993 10 30 DCEERN C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000328076302 659487378 /nfs/dbraw/zinc/48/73/78/659487378.db2.gz FSBRQEKWRDNGFQ-IHRRRGAJSA-N 0 0 307.394 0.836 10 30 DCEERN C=CCCC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000726649728 661662870 /nfs/dbraw/zinc/66/28/70/661662870.db2.gz BLIDZOICCMETHI-UHFFFAOYSA-N 0 0 320.349 0.333 10 30 DCEERN C=CCn1c(C)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000337909529 662061564 /nfs/dbraw/zinc/06/15/64/662061564.db2.gz OZRYKFBJKRSKLQ-SWLSCSKDSA-N 0 0 306.366 0.788 10 30 DCEERN Cc1ccc(N=NCc2nc3c(c(=O)[nH]c(=O)n3C)n2C)nc1 ZINC000727259925 662148354 /nfs/dbraw/zinc/14/83/54/662148354.db2.gz OSOWDHZDFFDCQA-UHFFFAOYSA-N 0 0 313.321 0.522 10 30 DCEERN C#CCN(C(=O)CCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000729332655 662787493 /nfs/dbraw/zinc/78/74/93/662787493.db2.gz TYAYFAMBCFYJIW-AWEZNQCLSA-N 0 0 323.418 0.539 10 30 DCEERN C#CCN(C(=O)CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000729335285 662788624 /nfs/dbraw/zinc/78/86/24/662788624.db2.gz KYMQWYXUHUBGEF-AWEZNQCLSA-N 0 0 323.418 0.621 10 30 DCEERN CCC[C@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000174259703 664638010 /nfs/dbraw/zinc/63/80/10/664638010.db2.gz ZDSAHGUQSYGLNN-WDEREUQCSA-N 0 0 300.380 0.388 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2O)c1 ZINC000267295998 664696298 /nfs/dbraw/zinc/69/62/98/664696298.db2.gz AEHJMENONJSANK-ZIAGYGMSSA-N 0 0 302.330 0.667 10 30 DCEERN C=CCn1c(C)nn(CN2CCS(=O)(=O)[C@H](C)C2)c1=S ZINC000151574657 664702541 /nfs/dbraw/zinc/70/25/41/664702541.db2.gz YGGCXTBGVIAWSJ-SNVBAGLBSA-N 0 0 316.452 0.985 10 30 DCEERN C#CCOCCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000152000190 664728557 /nfs/dbraw/zinc/72/85/57/664728557.db2.gz LJGRBPSRVCNACP-UHFFFAOYSA-N 0 0 318.421 0.721 10 30 DCEERN C#CCN(C1CCCC1)S(=O)(=O)N(C)CCC(=O)OC ZINC000153109288 664793420 /nfs/dbraw/zinc/79/34/20/664793420.db2.gz CFZIRDPOFJZQED-UHFFFAOYSA-N 0 0 302.396 0.604 10 30 DCEERN C#CCNC(=O)[C@H](C)OC(=O)/C=C/c1cncc(C(=O)NC)c1 ZINC000732408438 664924115 /nfs/dbraw/zinc/92/41/15/664924115.db2.gz OUCGLQWURIBTPG-QRGHLMKCSA-N 0 0 315.329 0.136 10 30 DCEERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000732651214 664950158 /nfs/dbraw/zinc/95/01/58/664950158.db2.gz ZYOCHCUNFLGQID-DZGCQCFKSA-N 0 0 318.421 0.834 10 30 DCEERN Cn1c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1[N+](=O)[O-] ZINC000732650784 664950312 /nfs/dbraw/zinc/95/03/12/664950312.db2.gz GOJDMGDEGBTDTB-NSHDSACASA-N 0 0 303.322 0.746 10 30 DCEERN CCn1cnnc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732673608 664951348 /nfs/dbraw/zinc/95/13/48/664951348.db2.gz AOWGILBHCXRUFZ-GFCCVEGCSA-N 0 0 303.370 0.180 10 30 DCEERN Cc1noc([C@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000732699475 664953009 /nfs/dbraw/zinc/95/30/09/664953009.db2.gz ADVVHIKEIQNWLH-JOYOIKCWSA-N 0 0 304.354 0.821 10 30 DCEERN C#CCCCCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185334844 666406196 /nfs/dbraw/zinc/40/61/96/666406196.db2.gz DJFCFENFDDWMEO-UHFFFAOYSA-N 0 0 302.334 0.867 10 30 DCEERN C=CC[C@H]1CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000703687193 667129748 /nfs/dbraw/zinc/12/97/48/667129748.db2.gz 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/nfs/dbraw/zinc/79/14/86/667791486.db2.gz MBWFTWFIUOFYBO-UHFFFAOYSA-N 0 0 311.363 0.159 10 30 DCEERN C=CCN(CC(=O)OCC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000127128401 668728953 /nfs/dbraw/zinc/72/89/53/668728953.db2.gz KCDMEYXZIAMRCG-UHFFFAOYSA-N 0 0 317.345 0.907 10 30 DCEERN C[C@H]1NC(C(=O)N[C@H](C#N)C2CC2)=NN(c2ccccc2)C1=O ZINC000108829506 670842578 /nfs/dbraw/zinc/84/25/78/670842578.db2.gz LJPSHDHFIKGWQR-ZWNOBZJWSA-N 0 0 311.345 0.743 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000718192875 685304471 /nfs/dbraw/zinc/30/44/71/685304471.db2.gz HHMRKSGRLDELQB-MRVPVSSYSA-N 0 0 303.311 0.115 10 30 DCEERN C#C[C@@H](CO)NS(=O)(=O)c1sccc1Br ZINC000718200407 685304724 /nfs/dbraw/zinc/30/47/24/685304724.db2.gz AVLXGJSPQBYIGS-LURJTMIESA-N 0 0 310.194 0.783 10 30 DCEERN COCC1(O)CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000718575354 685305360 /nfs/dbraw/zinc/30/53/60/685305360.db2.gz CFNVGWWCYWKAEW-UHFFFAOYSA-N 0 0 300.311 0.079 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCO[C@H](CO)C2)c1 ZINC000718548982 685305469 /nfs/dbraw/zinc/30/54/69/685305469.db2.gz FKAHVXXIBQBNFF-NSHDSACASA-N 0 0 300.311 0.079 10 30 DCEERN C#CCN(CC1CC1)S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000157743686 1157748590 /nfs/dbraw/zinc/74/85/90/1157748590.db2.gz CIOIJZLUBNJFQC-UHFFFAOYSA-N 0 0 311.363 0.620 10 30 DCEERN C=CCOc1ccc(C[NH2+]CCNS(C)(=O)=O)cc1OC ZINC000051188470 1171750076 /nfs/dbraw/zinc/75/00/76/1171750076.db2.gz SDYWNZVUJHLORV-UHFFFAOYSA-N 0 0 314.407 0.899 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000718209138 951897929 /nfs/dbraw/zinc/89/79/29/951897929.db2.gz GCXSLUXLPAUOBJ-MRVPVSSYSA-N 0 0 318.738 0.829 10 30 DCEERN CN1CCO[C@@H]2CCN(S(=O)(=O)CCCCC#N)C[C@@H]21 ZINC000408017019 529785150 /nfs/dbraw/zinc/78/51/50/529785150.db2.gz PBFVBDQTCUYQOX-QWHCGFSZSA-N 0 0 301.412 0.415 10 30 DCEERN CNC(=O)[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000183563218 529928159 /nfs/dbraw/zinc/92/81/59/529928159.db2.gz SKILHIKDVAVBCG-CQSZACIVSA-N 0 0 313.357 0.829 10 30 DCEERN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173692266 198241572 /nfs/dbraw/zinc/24/15/72/198241572.db2.gz SDSWUXWVFMEXJG-AWEZNQCLSA-N 0 0 324.344 0.952 10 30 DCEERN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1C1CC1 ZINC000370524943 283059661 /nfs/dbraw/zinc/05/96/61/283059661.db2.gz CHKMYOTWMAVNCV-GFCCVEGCSA-N 0 0 317.324 0.358 10 30 DCEERN CCCCCCCCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000077312047 191691094 /nfs/dbraw/zinc/69/10/94/191691094.db2.gz CGVLVOOFCGWBCS-NDKCEZKHSA-N 0 0 308.440 0.880 10 30 in-vitro DCEERN CC#CCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179392378 199027519 /nfs/dbraw/zinc/02/75/19/199027519.db2.gz RNBSPFXRINVQDD-LBPRGKRZSA-N 0 0 303.366 0.546 10 30 DCEERN C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CCN1CCO ZINC000187725957 237357405 /nfs/dbraw/zinc/35/74/05/237357405.db2.gz ZHWMWYDSPFWKPF-HNNXBMFYSA-N 0 0 322.453 0.670 10 30 DCEERN Cc1cnnn1C[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)C1(C#N)CC1 ZINC000253598677 238163901 /nfs/dbraw/zinc/16/39/01/238163901.db2.gz 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296263115 /nfs/dbraw/zinc/26/31/15/296263115.db2.gz AYDKFBFTSFNYAL-DOMZBBRYSA-N 0 0 312.373 0.874 10 30 DCEERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)N(C)CCC#N)[C@H]2C1 ZINC000407989489 533441923 /nfs/dbraw/zinc/44/19/23/533441923.db2.gz HKZZTWKUSMYROJ-FRRDWIJNSA-N 0 0 317.411 0.345 10 30 DCEERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000408026375 533528174 /nfs/dbraw/zinc/52/81/74/533528174.db2.gz GYFDEIPGKHIJRE-QWHCGFSZSA-N 0 0 316.423 0.872 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C[C@H](C)O)C(C)C ZINC000430372784 533540041 /nfs/dbraw/zinc/54/00/41/533540041.db2.gz GPRAYOUFPIJJGM-MJBXVCDLSA-N 0 0 312.410 0.702 10 30 DCEERN Cc1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(C)n1 ZINC000375200693 533658184 /nfs/dbraw/zinc/65/81/84/533658184.db2.gz NIYMBWMDUSQVKS-AWEZNQCLSA-N 0 0 302.382 0.610 10 30 DCEERN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)N1CCOCC1 ZINC000041600864 395738603 /nfs/dbraw/zinc/73/86/03/395738603.db2.gz RPTBGGVFTIOGEB-GFCCVEGCSA-N 0 0 316.361 0.334 10 30 DCEERN 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C#CCC(CC#C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000288658037 415682435 /nfs/dbraw/zinc/68/24/35/415682435.db2.gz GLIBMTRRBSMREW-AWEZNQCLSA-N 0 0 312.373 0.695 10 30 DCEERN C[C@@H]1CN(C2CCN(S(=O)(=O)CCCC#N)CC2)CCO1 ZINC000111330078 415693846 /nfs/dbraw/zinc/69/38/46/415693846.db2.gz VCVVYIIMIMABGW-CYBMUJFWSA-N 0 0 315.439 0.805 10 30 DCEERN N#CCCCS(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000111327640 415692343 /nfs/dbraw/zinc/69/23/43/415692343.db2.gz DHRDKGFKTRZVCX-UHFFFAOYSA-N 0 0 305.363 0.990 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000120653906 415778695 /nfs/dbraw/zinc/77/86/95/415778695.db2.gz VHKFKCWSPDULQB-UHFFFAOYSA-N 0 0 319.365 0.722 10 30 DCEERN C=CCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000354863963 415826354 /nfs/dbraw/zinc/82/63/54/415826354.db2.gz WSCRYFOIFQRMAR-UHFFFAOYSA-N 0 0 321.402 0.959 10 30 DCEERN C=CCCOCCNCc1nccn1S(=O)(=O)N(C)C ZINC000290916583 415826418 /nfs/dbraw/zinc/82/64/18/415826418.db2.gz QALAUGJTWSQANQ-UHFFFAOYSA-N 0 0 302.400 0.220 10 30 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[O-]C(NC[C@@H]1CCCn2ccnc21)=[NH+][C@H]1CCc2ncnn2C1 ZINC000328618989 416123225 /nfs/dbraw/zinc/12/32/25/416123225.db2.gz VNGNCYNGTKWURP-RYUDHWBXSA-N 0 0 315.381 0.871 10 30 DCEERN CN1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@@H]21 ZINC000328874222 416136214 /nfs/dbraw/zinc/13/62/14/416136214.db2.gz FMKVMOINSCYWQJ-QWHCGFSZSA-N 0 0 323.418 0.984 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCOC2(CCCC2)C1 ZINC000329227185 416157222 /nfs/dbraw/zinc/15/72/22/416157222.db2.gz HYKFKUHALBZBAQ-QWHCGFSZSA-N 0 0 321.381 0.777 10 30 DCEERN COc1nn(C)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000329126598 416150925 /nfs/dbraw/zinc/15/09/25/416150925.db2.gz MSMFQPYZCXHOSZ-VXGBXAGGSA-N 0 0 309.370 0.379 10 30 DCEERN Cn1cc(NC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c(C2CC2)n1 ZINC000329633222 416182750 /nfs/dbraw/zinc/18/27/50/416182750.db2.gz SIHYOJYKIJHUTG-CHWSQXEVSA-N 0 0 305.382 0.858 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)NC ZINC000346067895 416186510 /nfs/dbraw/zinc/18/65/10/416186510.db2.gz 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CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369833917 527832478 /nfs/dbraw/zinc/83/24/78/527832478.db2.gz OZAROUMVBISWRM-JSGCOSHPSA-N 0 0 322.409 0.956 10 30 DCEERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 ZINC000408063361 528307273 /nfs/dbraw/zinc/30/72/73/528307273.db2.gz IPMGGHUCKMKHMS-CYBMUJFWSA-N 0 0 320.393 0.219 10 30 DCEERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 ZINC000407976425 528407479 /nfs/dbraw/zinc/40/74/79/528407479.db2.gz TXMZLUNXFZOIIF-VXGBXAGGSA-N 0 0 316.427 0.456 10 30 DCEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000369194878 528639221 /nfs/dbraw/zinc/63/92/21/528639221.db2.gz RHJQUPGQSFSKPX-WCQYABFASA-N 0 0 301.412 0.824 10 30 DCEERN CC1(C)CCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)[C@H]1C#N ZINC000408119579 528930637 /nfs/dbraw/zinc/93/06/37/528930637.db2.gz LHBFROUULQANNJ-LBPRGKRZSA-N 0 0 322.390 0.883 10 30 DCEERN CC(C)NC(=O)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369228341 529122378 /nfs/dbraw/zinc/12/23/78/529122378.db2.gz ASPRUSIGGVTJFP-CYBMUJFWSA-N 0 0 307.398 0.283 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000081556316 545694823 /nfs/dbraw/zinc/69/48/23/545694823.db2.gz CXBCYOIWFPLSRQ-UHFFFAOYSA-N 0 0 318.358 0.474 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000337045269 546101996 /nfs/dbraw/zinc/10/19/96/546101996.db2.gz FEXYESOAFVBRAP-GFCCVEGCSA-N 0 0 312.391 0.604 10 30 DCEERN COC(=O)C[C@H](C)NS(=O)(=O)c1cccc(F)c1C#N ZINC000312340458 659258505 /nfs/dbraw/zinc/25/85/05/659258505.db2.gz GIHNVDMBNDFAAJ-QMMMGPOBSA-N 0 0 300.311 0.927 10 30 DCEERN C[C@@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000124688472 659779156 /nfs/dbraw/zinc/77/91/56/659779156.db2.gz PJPJVPUZYBQLLA-MNOVXSKESA-N 0 0 303.318 0.729 10 30 DCEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000070398102 665822971 /nfs/dbraw/zinc/82/29/71/665822971.db2.gz RGEDACWCUFWVFW-LLVKDONJSA-N 0 0 311.338 0.596 10 30 DCEERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000732651217 664950095 /nfs/dbraw/zinc/95/00/95/664950095.db2.gz ZYOCHCUNFLGQID-ZFWWWQNUSA-N 0 0 318.421 0.834 10 30 DCEERN N#C[C@@H]1CN(C(=O)CCCCCNC(N)=O)CCN1C1CC1 ZINC000732664486 664950543 /nfs/dbraw/zinc/95/05/43/664950543.db2.gz PQADXXKFSBHLEQ-CYBMUJFWSA-N 0 0 307.398 0.414 10 30 DCEERN Cc1noc(CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000732673928 664951695 /nfs/dbraw/zinc/95/16/95/664951695.db2.gz CCTKHODCKGXJHA-ZDUSSCGKSA-N 0 0 318.381 0.692 10 30 DCEERN C#CCOCCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000154077119 665073197 /nfs/dbraw/zinc/07/31/97/665073197.db2.gz SAIKPDYWZWZHIK-ZDUSSCGKSA-N 0 0 317.393 0.643 10 30 DCEERN C#CCN1CCN(C(=O)/C=C/c2cncc(C(=O)NC)c2)CC1 ZINC000733161573 665078709 /nfs/dbraw/zinc/07/87/09/665078709.db2.gz YXSVWMPKKYRBSF-SNAWJCMRSA-N 0 0 312.373 0.232 10 30 DCEERN C#CCOc1ccc(C(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000185253917 666389541 /nfs/dbraw/zinc/38/95/41/666389541.db2.gz HLOPXUYYTHUVEK-UHFFFAOYSA-N 0 0 302.330 0.286 10 30 DCEERN C#CCCNC(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000733340250 666497719 /nfs/dbraw/zinc/49/77/19/666497719.db2.gz YCNUYLWYFUKFEB-UHFFFAOYSA-N 0 0 301.412 0.513 10 30 DCEERN C=C(COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)OCC ZINC000734029364 666837468 /nfs/dbraw/zinc/83/74/68/666837468.db2.gz LYHABATVSIQOHC-GFCCVEGCSA-N 0 0 323.349 0.565 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCC[S@](C)=O)cc2C1=O ZINC000735053128 666944351 /nfs/dbraw/zinc/94/43/51/666944351.db2.gz RUMXSKWZFMQIES-QFIPXVFZSA-N 0 0 320.370 0.577 10 30 DCEERN C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C2CC2)c1 ZINC000736329506 667148153 /nfs/dbraw/zinc/14/81/53/667148153.db2.gz IDDAOWSZFJMKQD-UHFFFAOYSA-N 0 0 321.402 0.877 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000121670937 667410979 /nfs/dbraw/zinc/41/09/79/667410979.db2.gz AXZLYHZEBJCKKM-NSHDSACASA-N 0 0 313.404 0.456 10 30 DCEERN C#CC1(O)CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000708114494 667442046 /nfs/dbraw/zinc/44/20/46/667442046.db2.gz OXBUDNMVFGJBAL-UHFFFAOYSA-N 0 0 312.167 0.783 10 30 DCEERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)C#CC2CC2)CCC(=O)N1C ZINC000886027346 667725400 /nfs/dbraw/zinc/72/54/00/667725400.db2.gz UNJBSHWZWGZBGU-CJNGLKHVSA-N 0 0 314.389 0.859 10 30 DCEERN C#CCSCCNC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000740918687 667754463 /nfs/dbraw/zinc/75/44/63/667754463.db2.gz NHAKFONCRGQOKB-NSHDSACASA-N 0 0 304.437 0.429 10 30 DCEERN Cn1cc(CCCNc2ccc(S(N)(=O)=O)cc2C#N)cn1 ZINC000742400919 667790636 /nfs/dbraw/zinc/79/06/36/667790636.db2.gz MRPONXKCMAUVSK-UHFFFAOYSA-N 0 0 319.390 0.984 10 30 DCEERN CCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742396223 667790728 /nfs/dbraw/zinc/79/07/28/667790728.db2.gz NGTJNJAZCQDQSD-UHFFFAOYSA-N 0 0 310.379 0.534 10 30 DCEERN C#CCNC(=O)COC(=O)COc1ccc(C(=O)CC)cc1 ZINC000007151943 668154238 /nfs/dbraw/zinc/15/42/38/668154238.db2.gz GECBPKFBWRSBDC-UHFFFAOYSA-N 0 0 303.314 0.951 10 30 DCEERN C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000008563904 668158480 /nfs/dbraw/zinc/15/84/80/668158480.db2.gz GFLAGLZQXDQCHW-ZDUSSCGKSA-N 0 0 314.341 0.641 10 30 DCEERN CC[S@](=O)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719977146 685311898 /nfs/dbraw/zinc/31/18/98/685311898.db2.gz SZTCKMLRFLFYMR-SFHVURJKSA-N 0 0 304.368 0.744 10 30 DCEERN C=CCOC[C@H]1NC(=O)N(Cc2ncc3c(n2)CCOC3)C1=O ZINC000348362206 1158884474 /nfs/dbraw/zinc/88/44/74/1158884474.db2.gz LRRRKPXOEYGOEW-GFCCVEGCSA-N 0 0 318.333 0.172 10 30 DCEERN C#CCSCCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000130454677 1177447314 /nfs/dbraw/zinc/44/73/14/1177447314.db2.gz RFGJAGNVKXDCLF-UHFFFAOYSA-N 0 0 301.371 0.879 10 30 DCEERN N#Cc1ccc(NC[C@@H](O)C(N)=O)c(F)c1Br ZINC000228605040 1177519149 /nfs/dbraw/zinc/51/91/49/1177519149.db2.gz DFQDNDDIJLVROG-SSDOTTSWSA-N 0 0 302.103 0.718 10 30 DCEERN C#CCSCCNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000287431761 1188194057 /nfs/dbraw/zinc/19/40/57/1188194057.db2.gz BNRLZKSYSFGYKT-JTQLQIEISA-N 0 0 310.341 0.732 10 30 DCEERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000362782928 529704288 /nfs/dbraw/zinc/70/42/88/529704288.db2.gz XUDQOANQUSLGFK-JSGCOSHPSA-N 0 0 321.425 0.673 10 30 DCEERN CNC(=O)CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000120907732 529844446 /nfs/dbraw/zinc/84/44/46/529844446.db2.gz ZKZJNIOJTOGXAF-CQSZACIVSA-N 0 0 300.362 0.532 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000172676807 291674366 /nfs/dbraw/zinc/67/43/66/291674366.db2.gz QAJZYOFXASQLJM-GFCCVEGCSA-N 0 0 307.375 0.766 10 30 DCEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1(C)COC1 ZINC000174869450 198395406 /nfs/dbraw/zinc/39/54/06/198395406.db2.gz LEHXWNILVZZGEC-UHFFFAOYSA-N 0 0 320.320 0.929 10 30 DCEERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000188276709 200220677 /nfs/dbraw/zinc/22/06/77/200220677.db2.gz IXOIYPXCARIGIR-CYBMUJFWSA-N 0 0 323.418 0.386 10 30 DCEERN CN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O ZINC000160480704 291238800 /nfs/dbraw/zinc/23/88/00/291238800.db2.gz FNRNQGGXBMAQEX-LLVKDONJSA-N 0 0 313.766 0.721 10 30 DCEERN N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)CCO1 ZINC000370494992 239176980 /nfs/dbraw/zinc/17/69/80/239176980.db2.gz NUPVXGPFWRCZAS-GFCCVEGCSA-N 0 0 315.329 0.701 10 30 DCEERN Cn1cc(C(=O)CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000373576071 239202950 /nfs/dbraw/zinc/20/29/50/239202950.db2.gz JATXZDMAXAKMMP-CQSZACIVSA-N 0 0 315.377 0.582 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000407957857 239254795 /nfs/dbraw/zinc/25/47/95/239254795.db2.gz PVQIKWBPJLFBMQ-IUCAKERBSA-N 0 0 315.317 0.322 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnn(CCOC)c1 ZINC000425178903 240300195 /nfs/dbraw/zinc/30/01/95/240300195.db2.gz NVYCEEMVEFUJFB-AAEUAGOBSA-N 0 0 315.395 0.399 10 30 DCEERN C=C(CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O)C(=O)OCC ZINC000274980963 212056336 /nfs/dbraw/zinc/05/63/36/212056336.db2.gz XSAZVMPXMKOLEV-HNNXBMFYSA-N 0 0 320.349 0.697 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C(=O)N(C)C)CC1 ZINC000042979393 183324900 /nfs/dbraw/zinc/32/49/00/183324900.db2.gz SGWXZGJGRCXINO-INIZCTEOSA-N 0 0 308.426 0.841 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000274051157 211309685 /nfs/dbraw/zinc/30/96/85/211309685.db2.gz HBKZUKFVJUEZHB-LBPRGKRZSA-N 0 0 322.361 0.487 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000273557824 210868626 /nfs/dbraw/zinc/86/86/26/210868626.db2.gz HIQCQHUPLWTSDJ-ICCXJUOJSA-N 0 0 322.386 0.744 10 30 DCEERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(C#N)cn3C)CCO2)c1 ZINC000176061580 252601913 /nfs/dbraw/zinc/60/19/13/252601913.db2.gz DIAXVEVDDVXDGB-CQSZACIVSA-N 0 0 313.361 0.943 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000407952872 285045837 /nfs/dbraw/zinc/04/58/37/285045837.db2.gz JXEQMDDCORWAGO-AGIUHOORSA-N 0 0 303.428 0.806 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[S@](=O)CC[C@@H]1C ZINC000367131950 285049294 /nfs/dbraw/zinc/04/92/94/285049294.db2.gz WNORWYXFRALVLT-UYSIFFEZSA-N 0 0 321.468 0.556 10 30 DCEERN C[C@@H]1CN(c2ccnc(C#N)c2)C[C@H]1C(=O)N1CCOCC1 ZINC000284653928 131100853 /nfs/dbraw/zinc/10/08/53/131100853.db2.gz PBMNVNLPVMTBBT-IUODEOHRSA-N 0 0 300.362 0.884 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000021329149 395691449 /nfs/dbraw/zinc/69/14/49/395691449.db2.gz VWACOQOLBUBSQP-INIZCTEOSA-N 0 0 316.405 0.133 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000021329152 395691456 /nfs/dbraw/zinc/69/14/56/395691456.db2.gz VWACOQOLBUBSQP-MRXNPFEDSA-N 0 0 316.405 0.133 10 30 DCEERN C=CCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1O ZINC000038355589 395731992 /nfs/dbraw/zinc/73/19/92/395731992.db2.gz OMBCPFYQIULSGV-AQGHMYMLSA-N 0 0 308.330 0.750 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(CC)CC)CC1 ZINC000042541488 395746364 /nfs/dbraw/zinc/74/63/64/395746364.db2.gz WWUQYSJGKSSZLS-CQSZACIVSA-N 0 0 310.442 0.163 10 30 DCEERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000118115752 395860251 /nfs/dbraw/zinc/86/02/51/395860251.db2.gz FUMFJUAKIWLLOK-GFCCVEGCSA-N 0 0 320.324 0.083 10 30 DCEERN N#C[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C1CC1 ZINC000108828728 395793603 /nfs/dbraw/zinc/79/36/03/395793603.db2.gz 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307.350 0.119 10 30 DCEERN Cc1ccn2ncc(C(=O)N3CCN(C(=O)CC#N)CC3)c2n1 ZINC000408066341 534369361 /nfs/dbraw/zinc/36/93/61/534369361.db2.gz XIHFROVUKDNOMU-UHFFFAOYSA-N 0 0 312.333 0.236 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCc1ccccn1 ZINC000425862162 534586835 /nfs/dbraw/zinc/58/68/35/534586835.db2.gz JPMAKWKCMUVBKN-JSGCOSHPSA-N 0 0 303.362 0.448 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCOc1ccccc1 ZINC000425861258 534586897 /nfs/dbraw/zinc/58/68/97/534586897.db2.gz IJUYAAMBQOHKDA-ZFWWWQNUSA-N 0 0 318.373 0.889 10 30 DCEERN N#CCC[C@@H](NC(=O)CN1CC(=O)NC1=O)c1ccccc1 ZINC000153341372 534654374 /nfs/dbraw/zinc/65/43/74/534654374.db2.gz BAHQVQADKJMZLJ-GFCCVEGCSA-N 0 0 300.318 0.699 10 30 DCEERN Cc1nccn1CCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369227625 534770991 /nfs/dbraw/zinc/77/09/91/534770991.db2.gz AKFNYCPLHQUXBK-HNNXBMFYSA-N 0 0 316.409 0.963 10 30 DCEERN Cc1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1C#N ZINC000157538030 524805211 /nfs/dbraw/zinc/80/52/11/524805211.db2.gz 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526731414 /nfs/dbraw/zinc/73/14/14/526731414.db2.gz WDXJMQNOXQXXLU-UHFFFAOYSA-N 0 0 318.285 0.280 10 30 DCEERN C=CCOCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000378589526 526774538 /nfs/dbraw/zinc/77/45/38/526774538.db2.gz OJEIWLRWSZRGMP-LRDDRELGSA-N 0 0 323.393 0.806 10 30 DCEERN C=CCOCCNC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000371642242 526780121 /nfs/dbraw/zinc/78/01/21/526780121.db2.gz MMQBIYJCJSZGPP-LBPRGKRZSA-N 0 0 321.381 0.336 10 30 DCEERN C=CCOC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)OC ZINC000360616245 526810281 /nfs/dbraw/zinc/81/02/81/526810281.db2.gz AEABFFANBXWPMI-RYUDHWBXSA-N 0 0 320.411 0.297 10 30 DCEERN C=CCOc1ccc(CNC(=O)CS(=O)(=O)N(C)C)cc1 ZINC000359098946 526874895 /nfs/dbraw/zinc/87/48/95/526874895.db2.gz NIJKANOJVOXGCS-UHFFFAOYSA-N 0 0 312.391 0.759 10 30 DCEERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000170664885 526901803 /nfs/dbraw/zinc/90/18/03/526901803.db2.gz XUKORRIPBUEGOP-LBPRGKRZSA-N 0 0 308.363 0.242 10 30 DCEERN C#CCOCCC(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000194440165 527064446 /nfs/dbraw/zinc/06/44/46/527064446.db2.gz NVPIDBDTGQAQSZ-GFCCVEGCSA-N 0 0 306.366 0.882 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000183203990 527086050 /nfs/dbraw/zinc/08/60/50/527086050.db2.gz CXDMVEVKYSLIAY-ZDUSSCGKSA-N 0 0 320.393 0.920 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC000282072680 527088050 /nfs/dbraw/zinc/08/80/50/527088050.db2.gz SXZUPPUQPRTQRE-JTQLQIEISA-N 0 0 303.318 0.155 10 30 DCEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000183551867 527094553 /nfs/dbraw/zinc/09/45/53/527094553.db2.gz NBYNNYLRUHIDNO-IUCAKERBSA-N 0 0 309.288 0.386 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000176259744 527148767 /nfs/dbraw/zinc/14/87/67/527148767.db2.gz XBWXOAOAAGROER-UHFFFAOYSA-N 0 0 309.329 0.970 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275635783 527191210 /nfs/dbraw/zinc/19/12/10/527191210.db2.gz LFFMYPOHFDQWHL-GFCCVEGCSA-N 0 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/nfs/dbraw/zinc/17/41/83/237174183.db2.gz KPOKMAHNNOKIRN-NSHDSACASA-N 0 0 303.366 0.890 10 30 DCEERN N#Cc1ccc(C2(C(=O)NCCN3C(=O)CCC3=O)CC2)cc1 ZINC000186973412 237336002 /nfs/dbraw/zinc/33/60/02/237336002.db2.gz HRQHSUWPSMKVMT-UHFFFAOYSA-N 0 0 311.341 0.855 10 30 DCEERN COC(=O)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1C ZINC000249110537 238162840 /nfs/dbraw/zinc/16/28/40/238162840.db2.gz RCOXMNLSJRZKOW-GHMZBOCLSA-N 0 0 300.380 0.751 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC ZINC000272010099 209380353 /nfs/dbraw/zinc/38/03/53/209380353.db2.gz ZVCCYVZZZDWCFD-QWRGUYRKSA-N 0 0 313.423 0.352 10 30 DCEERN Cc1cc(C)n(Cc2nnc(N3CCN(C)[C@@H](C#N)C3)n2C)n1 ZINC000328834964 238567903 /nfs/dbraw/zinc/56/79/03/238567903.db2.gz WZBBUYQVHHDNOM-ZDUSSCGKSA-N 0 0 314.397 0.321 10 30 DCEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC000375516826 239216515 /nfs/dbraw/zinc/21/65/15/239216515.db2.gz IJFRDFPNGKKZFP-HZSPNIEDSA-N 0 0 300.362 0.905 10 30 DCEERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOC[C@H]1C#N ZINC000408246961 239263863 /nfs/dbraw/zinc/26/38/63/239263863.db2.gz QOUFLBSURSCRAK-MRVPVSSYSA-N 0 0 315.376 0.069 10 30 DCEERN CC[C@H](O)CN1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000106392513 194206776 /nfs/dbraw/zinc/20/67/76/194206776.db2.gz RTVDTJPYHKYUET-HNNXBMFYSA-N 0 0 317.389 0.852 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000273587860 210895167 /nfs/dbraw/zinc/89/51/67/210895167.db2.gz OGELAYLKGLYBCN-NSHDSACASA-N 0 0 313.379 0.701 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000273552270 210864295 /nfs/dbraw/zinc/86/42/95/210864295.db2.gz WJSGZGCJFUQIJR-SNVBAGLBSA-N 0 0 318.420 0.600 10 30 DCEERN C[C@@H](CNC(=O)c1ccc(Br)cn1)/C(N)=N/O ZINC000061871142 184190651 /nfs/dbraw/zinc/19/06/51/184190651.db2.gz KGYMKXOJAGEAAQ-LURJTMIESA-N 0 0 301.144 0.956 10 30 DCEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155394787 284994855 /nfs/dbraw/zinc/99/48/55/284994855.db2.gz JKPDDEJAPGTLNW-LBPRGKRZSA-N 0 0 315.439 0.504 10 30 DCEERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000170664883 252593390 /nfs/dbraw/zinc/59/33/90/252593390.db2.gz XUKORRIPBUEGOP-GFCCVEGCSA-N 0 0 308.363 0.242 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000273080543 210458667 /nfs/dbraw/zinc/45/86/67/210458667.db2.gz QNOBEURBAAGQJM-UHFFFAOYSA-N 0 0 320.349 0.736 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N(C)C)cc2C1=O ZINC000008359256 395684495 /nfs/dbraw/zinc/68/44/95/395684495.db2.gz QQLDFBPOYHPBOA-UHFFFAOYSA-N 0 0 315.329 0.287 10 30 DCEERN O=C(Cc1cc(=O)oc2cc(O)ccc12)ON1C(=O)CCC1=O ZINC000000388773 395680373 /nfs/dbraw/zinc/68/03/73/395680373.db2.gz WAXLJIJDTHFUBJ-UHFFFAOYSA-N 0 0 317.253 0.648 10 30 DCEERN N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194871204 395809967 /nfs/dbraw/zinc/80/99/67/395809967.db2.gz JGFDSTSBCVNXJG-CQSZACIVSA-N 0 0 312.373 0.733 10 30 DCEERN CCOC(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000195460795 395827938 /nfs/dbraw/zinc/82/79/38/395827938.db2.gz IYQDCCJLRGFIRP-UHFFFAOYSA-N 0 0 302.334 0.555 10 30 DCEERN CC(C)(C)C(=O)Nc1ncccc1/C=N/C(CO)(CO)CO ZINC000198533719 395833790 /nfs/dbraw/zinc/83/37/90/395833790.db2.gz AIENZSACEONJIE-REZTVBANSA-N 0 0 309.366 0.201 10 30 DCEERN C[C@H](C(=O)N[C@@H](C#N)C1CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000108838806 395793489 /nfs/dbraw/zinc/79/34/89/395793489.db2.gz LHSBWQDMQIZWOZ-KOLCDFICSA-N 0 0 304.350 0.658 10 30 DCEERN N#Cc1ccc2ncc(CNc3ccn(CCC(N)=O)n3)n2c1 ZINC000134124203 395930815 /nfs/dbraw/zinc/93/08/15/395930815.db2.gz DOGNIDYNEGYMPE-UHFFFAOYSA-N 0 0 309.333 0.890 10 30 DCEERN COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230343404 395880883 /nfs/dbraw/zinc/88/08/83/395880883.db2.gz UOWWYYBBXIWZMQ-QMMMGPOBSA-N 0 0 300.361 0.803 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000273612152 395934080 /nfs/dbraw/zinc/93/40/80/395934080.db2.gz WKDZNTIYDARSFF-LBPRGKRZSA-N 0 0 319.361 0.892 10 30 DCEERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C ZINC000245780519 395935961 /nfs/dbraw/zinc/93/59/61/395935961.db2.gz CASKUWDNRDWXDA-OLZOCXBDSA-N 0 0 323.418 0.634 10 30 DCEERN C=C(CN1C(=O)N[C@](C)(c2ccccn2)C1=O)C(=O)OCC ZINC000274871949 395983475 /nfs/dbraw/zinc/98/34/75/395983475.db2.gz ARYIKYFJGRZXJP-OAHLLOKOSA-N 0 0 303.318 0.968 10 30 DCEERN C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171116059 396107161 /nfs/dbraw/zinc/10/71/61/396107161.db2.gz NYZLXNGISPRXAA-AWEZNQCLSA-N 0 0 300.362 0.498 10 30 DCEERN COC(=O)[C@H](N[C@@H]1CCc2ncnn2C1)c1cccc(C#N)c1 ZINC000176789657 396160896 /nfs/dbraw/zinc/16/08/96/396160896.db2.gz WOHKRHWJIUAVEY-UKRRQHHQSA-N 0 0 311.345 0.968 10 30 DCEERN C=CCNC(=O)CN1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074727557 396170548 /nfs/dbraw/zinc/17/05/48/396170548.db2.gz AHUTWTNTUAVHSK-UHFFFAOYSA-N 0 0 319.365 0.722 10 30 DCEERN COc1cc(N2CCN(C(=O)NC[C@H](C)C#N)CC2)ncn1 ZINC000184582736 396299301 /nfs/dbraw/zinc/29/93/01/396299301.db2.gz MIYTZNLTWZAINM-LLVKDONJSA-N 0 0 304.354 0.476 10 30 DCEERN Cc1cc(N2CCC[C@H](Nc3cnc(C#N)cn3)C2=O)n(C)n1 ZINC000185500664 396328990 /nfs/dbraw/zinc/32/89/90/396328990.db2.gz LYZNMAFTDJAPLN-LBPRGKRZSA-N 0 0 311.349 0.998 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000186723155 396356024 /nfs/dbraw/zinc/35/60/24/396356024.db2.gz IYMACQPNIJYWGJ-UHFFFAOYSA-N 0 0 300.362 0.981 10 30 DCEERN Cc1cccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1C#N ZINC000190679161 396410383 /nfs/dbraw/zinc/41/03/83/396410383.db2.gz NHGHISAFFRDRRR-LLVKDONJSA-N 0 0 314.345 0.542 10 30 DCEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCCN(C)C(=O)C1 ZINC000191142607 396416114 /nfs/dbraw/zinc/41/61/14/396416114.db2.gz SZWAMKCZGJYBRE-HNNXBMFYSA-N 0 0 301.346 0.936 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000580185342 396492136 /nfs/dbraw/zinc/49/21/36/396492136.db2.gz NXNGQVATRKQZAA-NMKXLXIOSA-N 0 0 310.394 0.766 10 30 DCEERN COC[C@@H](CCNS(=O)(=O)c1ccc(C#N)s1)OC ZINC000594806624 396519082 /nfs/dbraw/zinc/51/90/82/396519082.db2.gz ZPMNCBJNTPFMBW-SECBINFHSA-N 0 0 304.393 0.950 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594842897 396526448 /nfs/dbraw/zinc/52/64/48/396526448.db2.gz QSGLXPLTBPVHBP-CYBMUJFWSA-N 0 0 305.396 0.983 10 30 DCEERN C=CCOCCCNS(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000594850647 396528342 /nfs/dbraw/zinc/52/83/42/396528342.db2.gz SFYUXRFCGGKYJT-UHFFFAOYSA-N 0 0 320.411 0.299 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCNC(=O)[C@H]1CC ZINC000581636388 396571278 /nfs/dbraw/zinc/57/12/78/396571278.db2.gz WEMNCDVDBNULFS-VXGBXAGGSA-N 0 0 321.381 0.267 10 30 DCEERN Cn1cc(N2C(=O)C[C@H](N3CCC(C)(C#N)CC3)C2=O)cn1 ZINC000541859107 396610376 /nfs/dbraw/zinc/61/03/76/396610376.db2.gz JXSFRQGHWAGSFQ-LBPRGKRZSA-N 0 0 301.350 0.678 10 30 DCEERN C=CCC(CC=C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629534265 396779463 /nfs/dbraw/zinc/77/94/63/396779463.db2.gz SRKUMLKZAPQSKU-UHFFFAOYSA-N 0 0 301.412 0.362 10 30 DCEERN N#Cc1ccsc1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000590260136 396747541 /nfs/dbraw/zinc/74/75/41/396747541.db2.gz VBKWUTDVEPXPKI-AOOOYVTPSA-N 0 0 307.331 0.184 10 30 DCEERN C=CCN(C(=O)c1ccc(-n2cnnn2)cn1)[C@@H](C)COC ZINC000617584874 396759870 /nfs/dbraw/zinc/75/98/70/396759870.db2.gz NTQZJAOFGKOIBE-NSHDSACASA-N 0 0 302.338 0.720 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NCCC(C)(C)CC)C1=O ZINC000633968191 396760260 /nfs/dbraw/zinc/76/02/60/396760260.db2.gz UVSHCQHOFUMNAW-UHFFFAOYSA-N 0 0 309.366 0.906 10 30 DCEERN C=CCn1cc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)nn1 ZINC000600434757 396834682 /nfs/dbraw/zinc/83/46/82/396834682.db2.gz DGEMKFXROPIILP-NEPJUHHUSA-N 0 0 322.365 0.552 10 30 DCEERN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000611527230 396880612 /nfs/dbraw/zinc/88/06/12/396880612.db2.gz JUETVWPVQBWXFB-YMTOWFKASA-N 0 0 319.336 0.589 10 30 DCEERN CCNC(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611555019 396886170 /nfs/dbraw/zinc/88/61/70/396886170.db2.gz HVNDMXBLCQKCJJ-HNNXBMFYSA-N 0 0 311.382 0.843 10 30 DCEERN C=CCCn1cc(CN[C@H](C(=O)OC)c2ccn(C)n2)nn1 ZINC000597111017 396892837 /nfs/dbraw/zinc/89/28/37/396892837.db2.gz UKZWLOZLSDVEQR-ZDUSSCGKSA-N 0 0 304.354 0.592 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1cnc(OC)c(OC)c1 ZINC000600610370 396899832 /nfs/dbraw/zinc/89/98/32/396899832.db2.gz TXSLDUZKNXIWLP-VIFPVBQESA-N 0 0 308.338 0.911 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000611691128 396911431 /nfs/dbraw/zinc/91/14/31/396911431.db2.gz MOEAKHCMZNFZRM-MGPQQGTHSA-N 0 0 310.394 0.769 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000611691129 396911480 /nfs/dbraw/zinc/91/14/80/396911480.db2.gz MOEAKHCMZNFZRM-MJBXVCDLSA-N 0 0 310.394 0.769 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCO)C1CCOCC1 ZINC000625581489 396932962 /nfs/dbraw/zinc/93/29/62/396932962.db2.gz OEZGJHPYQHNFMQ-UHFFFAOYSA-N 0 0 312.410 0.705 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC(CCOC)C1 ZINC000611886081 396943814 /nfs/dbraw/zinc/94/38/14/396943814.db2.gz ROJZNUMFNFIQSN-KGLIPLIRSA-N 0 0 310.394 0.579 10 30 DCEERN C=CCCn1cc(CN2CCN(c3nccnn3)CC2)nn1 ZINC000625645611 396965315 /nfs/dbraw/zinc/96/53/15/396965315.db2.gz OSECQMXCHAJDHJ-UHFFFAOYSA-N 0 0 300.370 0.361 10 30 DCEERN C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)nn1 ZINC000618331180 396965615 /nfs/dbraw/zinc/96/56/15/396965615.db2.gz WULMAVAYYFLIJT-QWRGUYRKSA-N 0 0 312.395 0.550 10 30 DCEERN C=CC[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000625700574 396982334 /nfs/dbraw/zinc/98/23/34/396982334.db2.gz KRVDDYZEZKFJHY-ZDUSSCGKSA-N 0 0 317.455 0.282 10 30 DCEERN C=CCOCCCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000618518124 396987152 /nfs/dbraw/zinc/98/71/52/396987152.db2.gz ZTISQOZPUZYTJG-UHFFFAOYSA-N 0 0 304.393 0.718 10 30 DCEERN C=CCOCCCNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000618525212 396988167 /nfs/dbraw/zinc/98/81/67/396988167.db2.gz DUUQUTLOUMWZAR-BETUJISGSA-N 0 0 306.362 0.647 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000612070849 396995046 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COC(=O)CCN1CCN(C(=O)c2ccc(C#N)n2C)[C@@H](C)C1 ZINC000450399202 267361632 /nfs/dbraw/zinc/36/16/32/267361632.db2.gz CBHWHCHUIDRTAJ-LBPRGKRZSA-N 0 0 318.377 0.606 10 30 DCEERN N#Cc1cccc(CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000530745355 268276945 /nfs/dbraw/zinc/27/69/45/268276945.db2.gz MLRODDUTUQXFLS-HNNXBMFYSA-N 0 0 315.373 0.888 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C#N)cs1 ZINC000488259711 269665407 /nfs/dbraw/zinc/66/54/07/269665407.db2.gz CGAFPGSTPYTFQO-IUCAKERBSA-N 0 0 323.374 0.806 10 30 DCEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1CCSCC1 ZINC000366712556 274193763 /nfs/dbraw/zinc/19/37/63/274193763.db2.gz YFORWAVDKKAHJO-GXTWGEPZSA-N 0 0 308.451 0.622 10 30 DCEERN Cn1c(NC[C@H]2CCCn3ccnc32)c(C#N)c(=O)n(C)c1=O ZINC000369765988 274887209 /nfs/dbraw/zinc/88/72/09/274887209.db2.gz JGSBDZFCXBHUCV-SNVBAGLBSA-N 0 0 314.349 0.142 10 30 DCEERN C=CCNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000079078688 275746619 /nfs/dbraw/zinc/74/66/19/275746619.db2.gz 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288117118 /nfs/dbraw/zinc/11/71/18/288117118.db2.gz PWXBCFXXCHUDHN-UHFFFAOYSA-N 0 0 324.406 0.442 10 30 DCEERN N#C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C1CC1 ZINC000363872694 279484915 /nfs/dbraw/zinc/48/49/15/279484915.db2.gz OBMRSAFSJNCLKJ-OAHLLOKOSA-N 0 0 323.352 0.966 10 30 DCEERN CC(=O)N1CC[C@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000552354035 288273677 /nfs/dbraw/zinc/27/36/77/288273677.db2.gz NHMRXWIJCVOCMS-CQSZACIVSA-N 0 0 301.346 0.922 10 30 DCEERN CC[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1C[C@@H](C)O ZINC000165727898 288293586 /nfs/dbraw/zinc/29/35/86/288293586.db2.gz FYTXLABLWZKSAZ-OLZOCXBDSA-N 0 0 315.439 0.397 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOCC(=O)OCC ZINC000425584493 335106893 /nfs/dbraw/zinc/10/68/93/335106893.db2.gz JOBMYTAAPIHLJU-RYUDHWBXSA-N 0 0 300.355 0.456 10 30 DCEERN N#C[C@H]1CCC[C@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408327836 332474475 /nfs/dbraw/zinc/47/44/75/332474475.db2.gz DJDHXYXOXAFMHB-GHMZBOCLSA-N 0 0 304.350 0.659 10 30 DCEERN 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304.350 0.547 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187240790 337264390 /nfs/dbraw/zinc/26/43/90/337264390.db2.gz VUBDTAIFDRVROT-GFCCVEGCSA-N 0 0 320.397 0.240 10 30 DCEERN CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187262771 337264723 /nfs/dbraw/zinc/26/47/23/337264723.db2.gz PKLHQQPCUQPGIB-CYBMUJFWSA-N 0 0 318.425 0.848 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC000584586030 337369509 /nfs/dbraw/zinc/36/95/09/337369509.db2.gz IGUOQWKVYXNGTR-TUAOUCFPSA-N 0 0 304.337 0.660 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000320468573 337597430 /nfs/dbraw/zinc/59/74/30/337597430.db2.gz MCCNIGMCCGUNLZ-LBPRGKRZSA-N 0 0 313.375 0.617 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)CNS(C)(=O)=O ZINC000425762275 338017111 /nfs/dbraw/zinc/01/71/11/338017111.db2.gz ANERHQYNIBVLHZ-SRVKXCTJSA-N 0 0 319.427 0.205 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000425885300 338018257 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DCEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2cn(C)nc2OC)C1=O ZINC000439389663 338368365 /nfs/dbraw/zinc/36/83/65/338368365.db2.gz SHOGBNYOMORJTR-LLVKDONJSA-N 0 0 307.354 0.679 10 30 DCEERN C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000490105109 339826097 /nfs/dbraw/zinc/82/60/97/339826097.db2.gz WPNLQFGJMFFOHT-UHFFFAOYSA-N 0 0 324.406 0.817 10 30 DCEERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1 ZINC000540311321 340926126 /nfs/dbraw/zinc/92/61/26/340926126.db2.gz PIQUCTXSPSENJE-SNVBAGLBSA-N 0 0 302.334 0.884 10 30 DCEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000548848346 341277907 /nfs/dbraw/zinc/27/79/07/341277907.db2.gz KUEZPVFFZUCJCU-KBPBESRZSA-N 0 0 319.409 0.489 10 30 DCEERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554893036 341468893 /nfs/dbraw/zinc/46/88/93/341468893.db2.gz VVDHKISADVJTJP-GFCCVEGCSA-N 0 0 300.380 0.690 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000565367486 341525402 /nfs/dbraw/zinc/52/54/02/341525402.db2.gz 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DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281552831 527100034 /nfs/dbraw/zinc/10/00/34/527100034.db2.gz LBCSXBHRDPWBMK-VIFPVBQESA-N 0 0 318.782 0.654 10 30 DCEERN C=CC[C@H](CO)NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000185813252 527194051 /nfs/dbraw/zinc/19/40/51/527194051.db2.gz LRVCHZVYICSJHN-CQSZACIVSA-N 0 0 304.394 0.257 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1c(CC)c(CC)n[nH]c1=O ZINC000186589429 527197996 /nfs/dbraw/zinc/19/79/96/527197996.db2.gz CZUUIKMQPAHCFL-SNVBAGLBSA-N 0 0 308.382 0.631 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000183862752 527199065 /nfs/dbraw/zinc/19/90/65/527199065.db2.gz DRNZFCOBUVHFJV-VXGBXAGGSA-N 0 0 321.381 0.152 10 30 DCEERN C#C[C@H](C)NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000367956105 527341718 /nfs/dbraw/zinc/34/17/18/527341718.db2.gz BTGNPTTYBJSORP-STQMWFEESA-N 0 0 321.402 0.771 10 30 DCEERN C#C[C@H](C)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000185358092 527342316 /nfs/dbraw/zinc/34/23/16/527342316.db2.gz 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/nfs/dbraw/zinc/71/76/18/395717618.db2.gz FYJIJZRAASHDPJ-SSDOTTSWSA-N 0 0 301.306 0.291 10 30 DCEERN C[C@H](C(=O)N[C@H](C#N)C1CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000108838816 395793301 /nfs/dbraw/zinc/79/33/01/395793301.db2.gz LHSBWQDMQIZWOZ-MWLCHTKSSA-N 0 0 304.350 0.658 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000273389189 395917947 /nfs/dbraw/zinc/91/79/47/395917947.db2.gz DADQOMHYJCNNCJ-CYBMUJFWSA-N 0 0 313.375 0.830 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000273434165 395921239 /nfs/dbraw/zinc/92/12/39/395921239.db2.gz PTJXMHWTCWSDLX-JTQLQIEISA-N 0 0 308.334 0.696 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NCC)cc1 ZINC000273454220 395922354 /nfs/dbraw/zinc/92/23/54/395922354.db2.gz GUJYDWXFMGNPAF-LBPRGKRZSA-N 0 0 312.391 0.652 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000273507232 395926216 /nfs/dbraw/zinc/92/62/16/395926216.db2.gz RESQCLFUDAQVIK-CYBMUJFWSA-N 0 0 323.397 0.274 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000273518627 395926949 /nfs/dbraw/zinc/92/69/49/395926949.db2.gz NKWYONZTIJPEEI-SECBINFHSA-N 0 0 316.335 0.819 10 30 DCEERN C=CC[C@H](CO)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000273528143 395927304 /nfs/dbraw/zinc/92/73/04/395927304.db2.gz VVZDOXKJTVBTLC-OZVIIMIRSA-N 0 0 323.393 0.540 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(N)=O)cc2C1=O ZINC000053327789 395880499 /nfs/dbraw/zinc/88/04/99/395880499.db2.gz KOSOUBKYSBQENT-QMMMGPOBSA-N 0 0 301.302 0.072 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000053423622 395883700 /nfs/dbraw/zinc/88/37/00/395883700.db2.gz UQMUNBKSINSZTN-CQSZACIVSA-N 0 0 310.442 0.067 10 30 DCEERN N#C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154878538 396043990 /nfs/dbraw/zinc/04/39/90/396043990.db2.gz YSNARALIAQYQDZ-LBPRGKRZSA-N 0 0 302.290 0.743 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000172676810 396132820 /nfs/dbraw/zinc/13/28/20/396132820.db2.gz 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/nfs/dbraw/zinc/55/99/99/396559999.db2.gz NFYWQCKTHXZSLI-UHFFFAOYSA-N 0 0 322.434 0.959 10 30 DCEERN N#CC1(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)CCCCC1 ZINC000585813344 396661067 /nfs/dbraw/zinc/66/10/67/396661067.db2.gz OOVZFLDWJHKKBG-HNNXBMFYSA-N 0 0 303.366 0.716 10 30 DCEERN Cn1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000586860458 396669373 /nfs/dbraw/zinc/66/93/73/396669373.db2.gz GQMMIGYWGOSSOU-UHFFFAOYSA-N 0 0 314.320 0.968 10 30 DCEERN Cc1cc(C#N)cc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1 ZINC000587061502 396670715 /nfs/dbraw/zinc/67/07/15/396670715.db2.gz FRLPIMPUSQGHEQ-UHFFFAOYSA-N 0 0 315.377 0.435 10 30 DCEERN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1nc(N(C)C)no1 ZINC000596041185 396711177 /nfs/dbraw/zinc/71/11/77/396711177.db2.gz IFLBVADNSNGCBT-OAQYLSRUSA-N 0 0 314.411 0.809 10 30 DCEERN CCc1nnc(N2CCN([C@@H](C)CO)CC2)c(C#N)c1CC ZINC000301625916 396717292 /nfs/dbraw/zinc/71/72/92/396717292.db2.gz QBHGYSKWUYPTBH-LBPRGKRZSA-N 0 0 303.410 0.976 10 30 DCEERN Cc1nsc(N2CCN(S(C)(=O)=O)[C@H](C)C2)c1C#N 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C=CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C)COC ZINC000617577187 396758891 /nfs/dbraw/zinc/75/88/91/396758891.db2.gz JSCRLCLPSSHEDK-LLVKDONJSA-N 0 0 306.428 0.754 10 30 DCEERN CNC(=O)c1cc(S(=O)(=O)N[C@H](C#N)CC(C)C)cn1C ZINC000611114389 396819549 /nfs/dbraw/zinc/81/95/49/396819549.db2.gz LCWCQHYHFOBXMY-JTQLQIEISA-N 0 0 312.395 0.601 10 30 DCEERN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2nnnn2C)CC1 ZINC000328980429 396836502 /nfs/dbraw/zinc/83/65/02/396836502.db2.gz DIBCMOIOTMKRTL-LBPRGKRZSA-N 0 0 321.429 0.615 10 30 DCEERN C=C(C)[C@@H](CO)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000611237156 396841619 /nfs/dbraw/zinc/84/16/19/396841619.db2.gz AEEGTPXAGCOBBS-ZIAGYGMSSA-N 0 0 312.410 0.657 10 30 DCEERN C=C(C)CS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000625377277 396852288 /nfs/dbraw/zinc/85/22/88/396852288.db2.gz XLRJZNFRRQHSCH-AWEZNQCLSA-N 0 0 318.439 0.098 10 30 DCEERN C=CCNC(=O)NC(=O)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598646 396802369 /nfs/dbraw/zinc/80/23/69/396802369.db2.gz JYVWZUOMMQQMCF-UHFFFAOYSA-N 0 0 319.409 0.816 10 30 DCEERN C=CCOCCNC(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000611546441 396884911 /nfs/dbraw/zinc/88/49/11/396884911.db2.gz AWZFLOQNSHVBEB-ZDUSSCGKSA-N 0 0 313.398 0.468 10 30 DCEERN C=CCOCCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000611547692 396885283 /nfs/dbraw/zinc/88/52/83/396885283.db2.gz HJUUKUPHUFCGCW-UHFFFAOYSA-N 0 0 321.289 0.822 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000611725780 396918338 /nfs/dbraw/zinc/91/83/38/396918338.db2.gz QMJBVTWZPLFDDT-MCIONIFRSA-N 0 0 322.405 0.769 10 30 DCEERN C=CCn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)CC1 ZINC000591613342 396943650 /nfs/dbraw/zinc/94/36/50/396943650.db2.gz OEQQLDWBDIDLNE-GFCCVEGCSA-N 0 0 310.423 0.927 10 30 DCEERN C=CCOCCCNC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000618525410 396988644 /nfs/dbraw/zinc/98/86/44/396988644.db2.gz DHATZYHWUCVTSZ-UHFFFAOYSA-N 0 0 316.379 0.651 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000612413728 397047724 /nfs/dbraw/zinc/04/77/24/397047724.db2.gz FBDXPMTXYAIZOO-UHFFFAOYSA-N 0 0 319.361 0.111 10 30 DCEERN C=CCCSCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000597971108 397143189 /nfs/dbraw/zinc/14/31/89/397143189.db2.gz QEMKIAJAHNTTEQ-UHFFFAOYSA-N 0 0 321.406 0.556 10 30 DCEERN C=CCNC(=O)CNC(=O)Cn1cc(C)c(C(F)(F)F)n1 ZINC000626379798 397149591 /nfs/dbraw/zinc/14/95/91/397149591.db2.gz NTUDBVBADSMJLV-UHFFFAOYSA-N 0 0 304.272 0.629 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O ZINC000630975951 397150104 /nfs/dbraw/zinc/15/01/04/397150104.db2.gz BFISCQMHCFKHTH-JTQLQIEISA-N 0 0 300.380 0.698 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCc3nc(COC)nn3C2)C1=O ZINC000630976429 397150235 /nfs/dbraw/zinc/15/02/35/397150235.db2.gz DASJUSUJIFDXIC-QWRGUYRKSA-N 0 0 319.365 0.626 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1cncn1CC)C(=O)OC ZINC000601501842 397154735 /nfs/dbraw/zinc/15/47/35/397154735.db2.gz HPTZAMHOHUKGDF-JTQLQIEISA-N 0 0 301.368 0.689 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)OC ZINC000601502469 397154780 /nfs/dbraw/zinc/15/47/80/397154780.db2.gz VWQILPBCSHBNDI-NWDGAFQWSA-N 0 0 317.411 0.810 10 30 DCEERN C[C@H](C(=O)NCCc1nn(C)c2ccccc12)n1cnc(C#N)n1 ZINC000619599435 397156287 /nfs/dbraw/zinc/15/62/87/397156287.db2.gz GPDCPUUWAIXXJJ-LLVKDONJSA-N 0 0 323.360 0.956 10 30 DCEERN CC(=O)c1cccc(C#N)c1OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000631028212 397159035 /nfs/dbraw/zinc/15/90/35/397159035.db2.gz MWZOEWGUFCHFCW-JTQLQIEISA-N 0 0 317.345 0.733 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000612907187 397159489 /nfs/dbraw/zinc/15/94/89/397159489.db2.gz OJRSURJJQATZKX-OAHLLOKOSA-N 0 0 319.409 0.988 10 30 DCEERN C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CCN1S(C)(=O)=O ZINC000598218430 397190200 /nfs/dbraw/zinc/19/02/00/397190200.db2.gz BDDMPPZRMFROOO-GFCCVEGCSA-N 0 0 313.423 0.953 10 30 DCEERN CCN1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C)C1=O ZINC000619797712 397193873 /nfs/dbraw/zinc/19/38/73/397193873.db2.gz MHMHMKYNJYILDK-LBPRGKRZSA-N 0 0 307.375 0.766 10 30 DCEERN CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2C)C1=O ZINC000619843229 397199374 /nfs/dbraw/zinc/19/93/74/397199374.db2.gz NBBZUHZKJPISKC-LBPRGKRZSA-N 0 0 314.345 0.542 10 30 DCEERN CCN1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)C1=O ZINC000619856164 397199408 /nfs/dbraw/zinc/19/94/08/397199408.db2.gz YOUVMTVNMZICPW-UONOGXRCSA-N 0 0 301.346 0.983 10 30 DCEERN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000619878933 397203698 /nfs/dbraw/zinc/20/36/98/397203698.db2.gz RNMBIRMKQBGBTM-SNVBAGLBSA-N 0 0 305.309 0.561 10 30 DCEERN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000619878817 397203768 /nfs/dbraw/zinc/20/37/68/397203768.db2.gz GBEPEKPWEGHRAJ-MFKMUULPSA-N 0 0 319.336 0.543 10 30 DCEERN CC#CC[C@H](CO)NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601651960 397206293 /nfs/dbraw/zinc/20/62/93/397206293.db2.gz HDLATAIPOLPYGB-LLVKDONJSA-N 0 0 321.377 0.880 10 30 DCEERN C=CCn1cc(C(=O)Nc2ncc(C(=O)OCC)n2C)nn1 ZINC000592624700 397226228 /nfs/dbraw/zinc/22/62/28/397226228.db2.gz 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ZINC000601901728 397264757 /nfs/dbraw/zinc/26/47/57/397264757.db2.gz MTXUKBYPAQTTJC-CQSZACIVSA-N 0 0 308.338 0.258 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)s1 ZINC000404227227 397329728 /nfs/dbraw/zinc/32/97/28/397329728.db2.gz LZWCZYVSMXKADC-NSHDSACASA-N 0 0 302.377 0.440 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN1CCN(C2CC2)C1=O ZINC000614371759 397428175 /nfs/dbraw/zinc/42/81/75/397428175.db2.gz AJEVUYWZWUQDIX-SWLSCSKDSA-N 0 0 307.394 0.984 10 30 DCEERN CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000599453621 397445467 /nfs/dbraw/zinc/44/54/67/397445467.db2.gz VTQVOIXVQZQZER-VIFPVBQESA-N 0 0 301.393 0.229 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000599276609 397388231 /nfs/dbraw/zinc/38/82/31/397388231.db2.gz BWBRSLAYFLIEIN-VIFPVBQESA-N 0 0 318.351 0.208 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000614244661 397404896 /nfs/dbraw/zinc/40/48/96/397404896.db2.gz KIHYPMNTTHLVDN-INWMFGNUSA-N 0 0 310.394 0.864 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000599514002 397462609 /nfs/dbraw/zinc/46/26/09/397462609.db2.gz CSALMLOJSPWMMW-VXGBXAGGSA-N 0 0 310.394 0.972 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599640387 397491368 /nfs/dbraw/zinc/49/13/68/397491368.db2.gz DGDZGKRHPCMDRV-NSHDSACASA-N 0 0 305.338 0.331 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cnc(N(C)C)n1C ZINC000578982260 397508636 /nfs/dbraw/zinc/50/86/36/397508636.db2.gz AJMDIKWXNNYDKR-AAEUAGOBSA-N 0 0 307.398 0.876 10 30 DCEERN C=CCCn1cc(C(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)nn1 ZINC000603095210 397568300 /nfs/dbraw/zinc/56/83/00/397568300.db2.gz WZJAEJNFYKRFQI-STQMWFEESA-N 0 0 302.382 0.913 10 30 DCEERN C=CCN1CC[C@H](N2CCCC[C@@]2(COC)C(=O)OC)C1=O ZINC000602909553 397521727 /nfs/dbraw/zinc/52/17/27/397521727.db2.gz BOAWZCZXBCNIFG-XJKSGUPXSA-N 0 0 310.394 0.817 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(C)(C#N)C1 ZINC000599873739 397533707 /nfs/dbraw/zinc/53/37/07/397533707.db2.gz 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C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000249441292 287110922 /nfs/dbraw/zinc/11/09/22/287110922.db2.gz FNGKLYYOQSOTJB-MJVIPROJSA-N 0 0 301.346 0.966 10 30 DCEERN CC[C@@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCOCC2)CC(=O)N1 ZINC000329398693 287287199 /nfs/dbraw/zinc/28/71/99/287287199.db2.gz AKUSRQUUWPKJBG-YNEHKIRRSA-N 0 0 313.398 0.781 10 30 DCEERN CCCn1c(SCC(=O)N[C@](C)(C#N)C2CC2)n[nH]c1=O ZINC000007531994 415140378 /nfs/dbraw/zinc/14/03/78/415140378.db2.gz ZFJHXWUTYHQYJM-CYBMUJFWSA-N 0 0 309.395 0.882 10 30 DCEERN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CC1CC1 ZINC000268271025 415185879 /nfs/dbraw/zinc/18/58/79/415185879.db2.gz SUWIJJKYYHDGAO-LLVKDONJSA-N 0 0 321.406 0.599 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000273481525 415324102 /nfs/dbraw/zinc/32/41/02/415324102.db2.gz ZSRPBQXOIVCMGY-CYBMUJFWSA-N 0 0 320.345 0.394 10 30 DCEERN CC[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)N1CCOCC1 ZINC000084222912 415494066 /nfs/dbraw/zinc/49/40/66/415494066.db2.gz 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416173390 /nfs/dbraw/zinc/17/33/90/416173390.db2.gz VVOSXOVGAKECPT-FRRDWIJNSA-N 0 0 309.370 0.490 10 30 DCEERN CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000329699740 416185827 /nfs/dbraw/zinc/18/58/27/416185827.db2.gz GHAYSNXAIHCARD-JTQLQIEISA-N 0 0 305.400 0.093 10 30 DCEERN CN1C[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CC1=O ZINC000329272636 416160354 /nfs/dbraw/zinc/16/03/54/416160354.db2.gz AHLQGXKKSCMIHW-LLVKDONJSA-N 0 0 315.439 0.264 10 30 DCEERN CC(=O)N(C)c1cccc(NC(=O)N[C@@]2(CO)CCOC2)c1 ZINC000330893805 416246024 /nfs/dbraw/zinc/24/60/24/416246024.db2.gz QWLUQZLHCYSGBY-OAHLLOKOSA-N 0 0 307.350 0.956 10 30 DCEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CO)CC=C)c1 ZINC000350008023 416263970 /nfs/dbraw/zinc/26/39/70/416263970.db2.gz HYBTZQKXVAJDOQ-ZDUSSCGKSA-N 0 0 324.402 0.818 10 30 DCEERN Cc1ncc(S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O)cc1C#N ZINC000331109970 416266234 /nfs/dbraw/zinc/26/62/34/416266234.db2.gz BFPPLVFKRWFDTA-ZRNGKTOUSA-N 0 0 315.420 0.649 10 30 DCEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000194795574 416324586 /nfs/dbraw/zinc/32/45/86/416324586.db2.gz DTDGKOLZBSPFCO-CQSZACIVSA-N 0 0 301.346 0.669 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359825046 416361067 /nfs/dbraw/zinc/36/10/67/416361067.db2.gz USTLQCSPZALKLC-AWEZNQCLSA-N 0 0 301.346 0.423 10 30 DCEERN C[C@H](C(=O)NC1(C(N)=O)CCC(C)(C)CC1)n1cnc(C#N)n1 ZINC000360244395 416382100 /nfs/dbraw/zinc/38/21/00/416382100.db2.gz ATACVBMQDKEYQM-SNVBAGLBSA-N 0 0 318.381 0.651 10 30 DCEERN C=CCN(C)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000488517948 416561235 /nfs/dbraw/zinc/56/12/35/416561235.db2.gz DGMBOCFAFHWDMD-LBPRGKRZSA-N 0 0 305.382 0.739 10 30 DCEERN C=CCOCCCNC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000596823893 416586411 /nfs/dbraw/zinc/58/64/11/416586411.db2.gz PSEYAZZTVZRCNU-UHFFFAOYSA-N 0 0 310.354 1.311 10 30 DCEERN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000366739017 416635545 /nfs/dbraw/zinc/63/55/45/416635545.db2.gz JMSDSYOINZIWNC-GJZGRUSLSA-N 0 0 304.394 0.586 10 30 DCEERN CC#CCCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000440703911 416645053 /nfs/dbraw/zinc/64/50/53/416645053.db2.gz JXRSZLFCIIQZEH-UHFFFAOYSA-N 0 0 322.328 0.607 10 30 DCEERN Cn1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)n1 ZINC000609945614 416655876 /nfs/dbraw/zinc/65/58/76/416655876.db2.gz UVXBYONUBIGVGL-UHFFFAOYSA-N 0 0 301.281 0.686 10 30 DCEERN C=CCCn1cc(C(=O)N2CCSC[C@H](C(=O)OC)C2)nn1 ZINC000424881618 416672541 /nfs/dbraw/zinc/67/25/41/416672541.db2.gz MTYOMQKZAJVMID-LLVKDONJSA-N 0 0 324.406 0.832 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC2(C3CCC3)CCC2)C1=O ZINC000556736608 416716580 /nfs/dbraw/zinc/71/65/80/416716580.db2.gz CZLXRXBNYNXPIG-UHFFFAOYSA-N 0 0 319.361 0.802 10 30 DCEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623622721 416857804 /nfs/dbraw/zinc/85/78/04/416857804.db2.gz CIWZZEAPPZUCOV-NWDGAFQWSA-N 0 0 315.381 0.967 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000623798917 416896352 /nfs/dbraw/zinc/89/63/52/416896352.db2.gz IZIOXBAHVVTKKT-STQMWFEESA-N 0 0 315.439 0.876 10 30 DCEERN C=CCOCCNC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000623871077 416912911 /nfs/dbraw/zinc/91/29/11/416912911.db2.gz SZIPZMZCUVVUQN-GFCCVEGCSA-N 0 0 319.427 0.160 10 30 DCEERN C=CCCCNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623964307 416931196 /nfs/dbraw/zinc/93/11/96/416931196.db2.gz CGKZJNSWEPFMKK-LBPRGKRZSA-N 0 0 315.381 0.968 10 30 DCEERN Cc1nccc(N2CCN(C(=O)NCC3(C#N)CC3)CC2)n1 ZINC000519800181 416941161 /nfs/dbraw/zinc/94/11/61/416941161.db2.gz DQNAAUBFHMMQBX-UHFFFAOYSA-N 0 0 300.366 0.920 10 30 DCEERN C=C(CC)CNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624178331 416972226 /nfs/dbraw/zinc/97/22/26/416972226.db2.gz BNFPIQFPXSACBX-LBPRGKRZSA-N 0 0 315.381 0.968 10 30 DCEERN C=C(CC)CNC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000624178645 416972578 /nfs/dbraw/zinc/97/25/78/416972578.db2.gz WHGBJXKFUQPVDL-GFCCVEGCSA-N 0 0 303.428 0.923 10 30 DCEERN C=CCn1cc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)nn1 ZINC000565475583 416982101 /nfs/dbraw/zinc/98/21/01/416982101.db2.gz DMCZEIDVSKJELF-NSHDSACASA-N 0 0 319.287 0.673 10 30 DCEERN C=CCCn1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)nn1 ZINC000567698642 417067332 /nfs/dbraw/zinc/06/73/32/417067332.db2.gz ULEISXUDJAIOLE-OLZOCXBDSA-N 0 0 324.406 0.646 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632412187 417071950 /nfs/dbraw/zinc/07/19/50/417071950.db2.gz UQPFLNUSYKYASL-TUAOUCFPSA-N 0 0 300.380 0.013 10 30 DCEERN CCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000616584714 417080367 /nfs/dbraw/zinc/08/03/67/417080367.db2.gz GSOZZXPQZYMXIL-OLOXDWRXSA-N 0 0 320.382 0.080 10 30 DCEERN C=CCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1O ZINC000616583136 417082081 /nfs/dbraw/zinc/08/20/81/417082081.db2.gz OMBCPFYQIULSGV-GEONZQJFSA-N 0 0 308.330 0.750 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624828339 417122714 /nfs/dbraw/zinc/12/27/14/417122714.db2.gz AZWXNQNQMIGCRS-GFCCVEGCSA-N 0 0 306.366 0.921 10 30 DCEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000407955528 417128532 /nfs/dbraw/zinc/12/85/32/417128532.db2.gz RPGGRWHHXLYLKB-AAEUAGOBSA-N 0 0 316.427 0.313 10 30 DCEERN C=CCCS(=O)(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC000632502793 417130091 /nfs/dbraw/zinc/13/00/91/417130091.db2.gz YMCDOSOOWLPAJJ-CHWSQXEVSA-N 0 0 302.440 0.981 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000408274538 417151534 /nfs/dbraw/zinc/15/15/34/417151534.db2.gz LLYRSPZAHZLLLQ-BMFZPTHFSA-N 0 0 309.410 0.921 10 30 DCEERN C=CCN([C@@H](C)COC)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632547701 417155529 /nfs/dbraw/zinc/15/55/29/417155529.db2.gz SCGVWTABAZCUAS-WCQYABFASA-N 0 0 316.423 0.602 10 30 DCEERN C=CCOc1ccc(CC(=O)N(C)Cc2nnnn2C)cc1 ZINC000450107152 417199825 /nfs/dbraw/zinc/19/98/25/417199825.db2.gz WGRUOFDULAHKID-UHFFFAOYSA-N 0 0 301.350 0.976 10 30 DCEERN CCN1CC[C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)C1=O ZINC000619795919 417261700 /nfs/dbraw/zinc/26/17/00/417261700.db2.gz PFEAPMMMLULLDI-LLVKDONJSA-N 0 0 304.354 0.848 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000451715854 417383456 /nfs/dbraw/zinc/38/34/56/417383456.db2.gz XMUYRYBFSGEPAM-ZJUUUORDSA-N 0 0 306.284 0.811 10 30 DCEERN CC(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)C(C)(C)C1 ZINC000528962605 417404056 /nfs/dbraw/zinc/40/40/56/417404056.db2.gz DGVKHFVQAJYGJU-UHFFFAOYSA-N 0 0 300.362 0.965 10 30 DCEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCOC)n2)C1 ZINC000627733890 417492986 /nfs/dbraw/zinc/49/29/86/417492986.db2.gz GSVMZPMFZXYKKY-LBPRGKRZSA-N 0 0 306.366 0.893 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCOC)n2)C1 ZINC000627733889 417494349 /nfs/dbraw/zinc/49/43/49/417494349.db2.gz GSVMZPMFZXYKKY-GFCCVEGCSA-N 0 0 306.366 0.893 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000571636843 417448747 /nfs/dbraw/zinc/44/87/47/417448747.db2.gz RLJYHRDKCVICPC-CABZTGNLSA-N 0 0 320.349 0.902 10 30 DCEERN C=CCOc1ccc(CC(=O)N(C)[C@@H](COC)C(N)=O)cc1 ZINC000452138604 417458701 /nfs/dbraw/zinc/45/87/01/417458701.db2.gz GCFNQSMDMBEINT-AWEZNQCLSA-N 0 0 306.362 0.753 10 30 DCEERN C=CCNS(=O)(=O)c1ccc(C(=O)NCC2COC2)cc1 ZINC000530112698 417540328 /nfs/dbraw/zinc/54/03/28/417540328.db2.gz GKKGTTOGMLVJJX-UHFFFAOYSA-N 0 0 310.375 0.527 10 30 DCEERN CC#CC[C@H](CO)NC(=O)c1cncc(N2CCCC2=O)c1 ZINC000627977181 417547697 /nfs/dbraw/zinc/54/76/97/417547697.db2.gz JFCBPZDLCMALCX-CYBMUJFWSA-N 0 0 301.346 0.713 10 30 DCEERN COCCCNC(=O)CN(C)C(=O)Cc1cccc(C#N)c1 ZINC000531384641 417622039 /nfs/dbraw/zinc/62/20/39/417622039.db2.gz IROFPZRVFBUTQZ-UHFFFAOYSA-N 0 0 303.362 0.712 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000580602495 417716528 /nfs/dbraw/zinc/71/65/28/417716528.db2.gz IYSBLZFCKQDUTF-AWEZNQCLSA-N 0 0 319.361 0.314 10 30 DCEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000359805278 261769819 /nfs/dbraw/zinc/76/98/19/261769819.db2.gz POXQECLSJZUPLU-GFCCVEGCSA-N 0 0 302.334 0.396 10 30 DCEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1nnn(C)n1 ZINC000362937738 262088108 /nfs/dbraw/zinc/08/81/08/262088108.db2.gz CPHJZSZYPPPNDX-AWEZNQCLSA-N 0 0 314.349 0.802 10 30 DCEERN CCN1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1=O ZINC000391573938 262161409 /nfs/dbraw/zinc/16/14/09/262161409.db2.gz OKBUROMDHLGOCA-SNVBAGLBSA-N 0 0 311.338 0.596 10 30 DCEERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC12COC2 ZINC000452248437 267133514 /nfs/dbraw/zinc/13/35/14/267133514.db2.gz BAEMXJZAULOMCE-LLVKDONJSA-N 0 0 303.318 0.538 10 30 DCEERN COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000450015676 267367611 /nfs/dbraw/zinc/36/76/11/267367611.db2.gz GFTVOATXBWNADD-LBPRGKRZSA-N 0 0 318.377 0.606 10 30 DCEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000448799404 268113664 /nfs/dbraw/zinc/11/36/64/268113664.db2.gz VTDZEPNAPJYHHD-SNVBAGLBSA-N 0 0 310.379 0.051 10 30 DCEERN CC(=O)N1CC[C@@H](CNC(=O)COc2ccccc2C#N)C1 ZINC000552352912 288273435 /nfs/dbraw/zinc/27/34/35/288273435.db2.gz XCNFBOQACJRHPU-ZDUSSCGKSA-N 0 0 301.346 0.922 10 30 DCEERN [O-]C(N[C@@H]1CCO[C@H](C2CC2)C1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329174428 295382502 /nfs/dbraw/zinc/38/25/02/295382502.db2.gz LFROSDYSFNXAQF-RQJABVFESA-N 0 0 321.381 0.679 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000407974947 298277792 /nfs/dbraw/zinc/27/77/92/298277792.db2.gz HDOCLGJDIOVXQI-OUAUKWLOSA-N 0 0 302.400 0.051 10 30 DCEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890474 332254858 /nfs/dbraw/zinc/25/48/58/332254858.db2.gz BBQFFNPSCAUHEQ-CABCVRRESA-N 0 0 319.409 0.592 10 30 DCEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCn2c(CO)nnc2C1 ZINC000426447854 332462434 /nfs/dbraw/zinc/46/24/34/332462434.db2.gz NOGFSGSGFYBXLL-LBPRGKRZSA-N 0 0 305.382 0.175 10 30 DCEERN C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000569909617 332691169 /nfs/dbraw/zinc/69/11/69/332691169.db2.gz HFYAQGWJXQEISB-JTQLQIEISA-N 0 0 300.318 0.638 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCSC[C@@H]2CO)cc1C#N ZINC000388565568 333357717 /nfs/dbraw/zinc/35/77/17/333357717.db2.gz BGVNDKOLMOMHCU-NSHDSACASA-N 0 0 313.404 0.360 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000185762833 335149162 /nfs/dbraw/zinc/14/91/62/335149162.db2.gz BDUOEHHRVDWHDF-NSHDSACASA-N 0 0 303.322 0.338 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000185779045 335149188 /nfs/dbraw/zinc/14/91/88/335149188.db2.gz NQAHNQZYDWLZGQ-JKSUJKDBSA-N 0 0 304.390 0.941 10 30 DCEERN CCn1nc(C)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1C ZINC000274208119 334057005 /nfs/dbraw/zinc/05/70/05/334057005.db2.gz OSNUJDWRIIXHGU-CYBMUJFWSA-N 0 0 312.395 0.823 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000571655576 334073573 /nfs/dbraw/zinc/07/35/73/334073573.db2.gz MNOICOGYPQBJPM-ZDUSSCGKSA-N 0 0 312.410 0.847 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000425886602 334294732 /nfs/dbraw/zinc/29/47/32/334294732.db2.gz JFXHZBVFDJDLMH-CRWXNKLISA-N 0 0 310.394 0.768 10 30 DCEERN C=CCCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000342531286 334546040 /nfs/dbraw/zinc/54/60/40/334546040.db2.gz SJFLTXPKAUCTAL-CHWSQXEVSA-N 0 0 307.394 0.586 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H](O)C3)cc2C1=O ZINC000351870746 336074578 /nfs/dbraw/zinc/07/45/78/336074578.db2.gz OIAOZIRSWZWLOA-QMTHXVAHSA-N 0 0 314.341 0.921 10 30 DCEERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCNC2=O)N(S(C)(=O)=O)C1 ZINC000329888076 336092643 /nfs/dbraw/zinc/09/26/43/336092643.db2.gz YIQQQPXXYFLQSJ-IVZWLZJFSA-N 0 0 319.383 0.111 10 30 DCEERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@H]3[C@@H]4COC[C@@H]43)O2)n1 ZINC000329994436 336103942 /nfs/dbraw/zinc/10/39/42/336103942.db2.gz MEKUEODVKNGHLV-GCHJQGSQSA-N 0 0 308.338 0.747 10 30 DCEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000330033509 336107867 /nfs/dbraw/zinc/10/78/67/336107867.db2.gz VONKISSLINEVDT-PREPNJAASA-N 0 0 308.338 0.699 10 30 DCEERN C[C@@](O)(CNC(=O)c1csc2cncn21)CN1CCOCC1 ZINC000330148489 336118141 /nfs/dbraw/zinc/11/81/41/336118141.db2.gz URHOXCXZGLULTA-CQSZACIVSA-N 0 0 324.406 0.784 10 30 DCEERN C#CCN1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301254959 336297058 /nfs/dbraw/zinc/29/70/58/336297058.db2.gz SYEFXQVWPTTZAB-UHFFFAOYSA-N 0 0 311.183 0.298 10 30 DCEERN C#CCNC(=O)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301896437 336336916 /nfs/dbraw/zinc/33/69/16/336336916.db2.gz QKXWQEYIBCZTMB-UHFFFAOYSA-N 0 0 311.319 0.160 10 30 DCEERN C#CCSCCNC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000376773466 337040792 /nfs/dbraw/zinc/04/07/92/337040792.db2.gz QSVPXVALPSXMAT-GFCCVEGCSA-N 0 0 312.435 0.743 10 30 DCEERN N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1F ZINC000582517115 337099979 /nfs/dbraw/zinc/09/99/79/337099979.db2.gz KAULGBZYFMGHAM-TXEJJXNPSA-N 0 0 319.292 0.262 10 30 DCEERN Cc1cc(N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)n[nH]1 ZINC000187259110 337264543 /nfs/dbraw/zinc/26/45/43/337264543.db2.gz USYSJYVYSLCJKU-ZDUSSCGKSA-N 0 0 304.398 0.601 10 30 DCEERN C=CCCn1cc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)nn1 ZINC000583317965 337314822 /nfs/dbraw/zinc/31/48/22/337314822.db2.gz 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338017539 /nfs/dbraw/zinc/01/75/39/338017539.db2.gz RZYBHGUMIPVMFH-GWCFXTLKSA-N 0 0 318.377 0.555 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccncc1CC ZINC000425896825 338018469 /nfs/dbraw/zinc/01/84/69/338018469.db2.gz YZSPLWBKGVINCV-GJZGRUSLSA-N 0 0 317.389 0.968 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)OC[C@H]1CC ZINC000425908681 338018818 /nfs/dbraw/zinc/01/88/18/338018818.db2.gz JISNLTDVFUHEJW-RQJABVFESA-N 0 0 310.394 0.720 10 30 DCEERN C=CCN(C(=O)c1cn(C(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000431394253 338129751 /nfs/dbraw/zinc/12/97/51/338129751.db2.gz XHIFDSPFOFRZHF-LLVKDONJSA-N 0 0 312.395 0.674 10 30 DCEERN C=CCNC(=O)c1ccc(NC(=O)NC[C@](C)(O)CO)cc1 ZINC000431970385 338142930 /nfs/dbraw/zinc/14/29/30/338142930.db2.gz BVEBIDROGBMALI-HNNXBMFYSA-N 0 0 307.350 0.467 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529454257 340756278 /nfs/dbraw/zinc/75/62/78/340756278.db2.gz GURZCWUMDDBRRG-SCRDCRAPSA-N 0 0 306.366 0.778 10 30 DCEERN Cn1nnnc1-c1cccc(S(=O)(=O)NC(C)(C)C#N)c1 ZINC000542709240 341018616 /nfs/dbraw/zinc/01/86/16/341018616.db2.gz NEZXMGDUVVPHFT-UHFFFAOYSA-N 0 0 306.351 0.458 10 30 DCEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000548848351 341277809 /nfs/dbraw/zinc/27/78/09/341277809.db2.gz KUEZPVFFZUCJCU-UONOGXRCSA-N 0 0 319.409 0.489 10 30 DCEERN C=CC[C@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000565391485 341525941 /nfs/dbraw/zinc/52/59/41/341525941.db2.gz UQFKJTNOFYXWLL-LLVKDONJSA-N 0 0 322.361 0.908 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000567734927 341630470 /nfs/dbraw/zinc/63/04/70/341630470.db2.gz GKJMASXTOIBKFG-SRVKXCTJSA-N 0 0 317.411 0.040 10 30 DCEERN C[C@@H]1CN(C(=O)N[C@@H]2CCCCNC2=O)CCS1(=O)=O ZINC000329510691 534273380 /nfs/dbraw/zinc/27/33/80/534273380.db2.gz MSPIFUJMDYERRA-NXEZZACHSA-N 0 0 303.384 0.528 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCOCC1CC1 ZINC000425857932 534586248 /nfs/dbraw/zinc/58/62/48/534586248.db2.gz 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322.324 0.725 10 30 DCEERN C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1=O ZINC000294717313 659691730 /nfs/dbraw/zinc/69/17/30/659691730.db2.gz MFIUVCWZFQWEIC-CYBMUJFWSA-N 0 0 313.357 0.857 10 30 DCEERN Cc1noc2ncc(C(=O)N(O)N(O)C(=O)[C@@H]3CCCO3)cc12 ZINC000070003892 665721398 /nfs/dbraw/zinc/72/13/98/665721398.db2.gz OMVQBHKJJJMKRB-JTQLQIEISA-N 0 0 322.277 0.674 10 30 DCEERN C=CCNC(=O)COC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000727550449 662187072 /nfs/dbraw/zinc/18/70/72/662187072.db2.gz XSETUFNUDDZYFA-CQSZACIVSA-N 0 0 319.361 0.681 10 30 DCEERN C#CCN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000165871152 664430436 /nfs/dbraw/zinc/43/04/36/664430436.db2.gz DRXBDSDJUUAHDB-AWEZNQCLSA-N 0 0 306.343 0.490 10 30 DCEERN C=CCN(CC=C)C(=O)COC(=O)[C@H]1CSCN1C(C)=O ZINC000730309233 664683008 /nfs/dbraw/zinc/68/30/08/664683008.db2.gz UCQSUTRGYLDEOT-GFCCVEGCSA-N 0 0 312.391 0.652 10 30 DCEERN CCC(CC)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000152212861 664740698 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/nfs/dbraw/zinc/78/31/72/395783172.db2.gz ACKBBJVQNULHIP-HYFYGGESSA-N 0 0 320.382 0.344 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1cccnc1OCCOC ZINC000273348097 395914779 /nfs/dbraw/zinc/91/47/79/395914779.db2.gz UVWIVNMNSHHUQS-ZDUSSCGKSA-N 0 0 309.366 0.843 10 30 DCEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](CO)CC=C ZINC000273368125 395915956 /nfs/dbraw/zinc/91/59/56/395915956.db2.gz BOXJFYPFVTYEBM-GFCCVEGCSA-N 0 0 320.320 0.829 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000273399631 395918690 /nfs/dbraw/zinc/91/86/90/395918690.db2.gz IEFKWHJFNKYFPU-JTQLQIEISA-N 0 0 323.305 0.595 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000273403211 395919206 /nfs/dbraw/zinc/91/92/06/395919206.db2.gz JEJYJZWHNMNVBN-ZDUSSCGKSA-N 0 0 320.345 0.394 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](NC(=O)CC)C1 ZINC000130448996 395922499 /nfs/dbraw/zinc/92/24/99/395922499.db2.gz ZFCRWYMAWXGMGE-RYUDHWBXSA-N 0 0 310.398 0.377 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000273519779 395926488 /nfs/dbraw/zinc/92/64/88/395926488.db2.gz NWTZVPWJCGLMJW-VIFPVBQESA-N 0 0 305.377 0.750 10 30 DCEERN C=CCSCCNS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000228537668 395871760 /nfs/dbraw/zinc/87/17/60/395871760.db2.gz RSJRXZUVYUWFSL-UHFFFAOYSA-N 0 0 319.408 0.784 10 30 DCEERN Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@](O)(CO)CO2)cc1 ZINC000142252852 395958974 /nfs/dbraw/zinc/95/89/74/395958974.db2.gz YPNSNRJWNZAGIA-OCCSQVGLSA-N 0 0 316.375 0.603 10 30 DCEERN C=CCN(CC(=O)NC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000066560392 396009425 /nfs/dbraw/zinc/00/94/25/396009425.db2.gz PKUXHAIZDIUMKG-GFCCVEGCSA-N 0 0 302.440 0.966 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171117183 396107272 /nfs/dbraw/zinc/10/72/72/396107272.db2.gz BEGKLXZDKDKOCB-OAHLLOKOSA-N 0 0 312.373 0.595 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCc2ccccn2)CC1 ZINC000072995068 396140456 /nfs/dbraw/zinc/14/04/56/396140456.db2.gz SCPGDTDUDIQRNQ-UHFFFAOYSA-N 0 0 317.393 0.211 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000183195493 396264939 /nfs/dbraw/zinc/26/49/39/396264939.db2.gz KZSLODWCJGRCFP-LBPRGKRZSA-N 0 0 314.345 0.864 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000183190082 396265086 /nfs/dbraw/zinc/26/50/86/396265086.db2.gz MHGXHXMHWUCVLD-GFCCVEGCSA-N 0 0 308.382 0.921 10 30 DCEERN COC(C[C@]1(C)[C@]2(C#N)C(N)=NC(OC)(OC)[C@]12C#N)OC ZINC000096336949 292080442 /nfs/dbraw/zinc/08/04/42/292080442.db2.gz XLWGZMINTULZQT-FRRDWIJNSA-N 0 0 308.338 0.353 10 30 DCEERN Cn1c(CO)cnc1S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000191058438 396414646 /nfs/dbraw/zinc/41/46/46/396414646.db2.gz KLTJEVFADMAUDA-UHFFFAOYSA-N 0 0 309.322 0.897 10 30 DCEERN Cn1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1C#N ZINC000191447942 396419440 /nfs/dbraw/zinc/41/94/40/396419440.db2.gz IZFOJDMCFAKGLE-OAHLLOKOSA-N 0 0 322.434 0.897 10 30 DCEERN CCN1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1=O ZINC000191513716 396420429 /nfs/dbraw/zinc/42/04/29/396420429.db2.gz GPMOZWBZJLFESF-UHFFFAOYSA-N 0 0 304.281 0.284 10 30 DCEERN C[C@@]12CCN(C(=O)NCCn3cnc(C#N)n3)C[C@@H]1C2(F)F ZINC000291604020 396502344 /nfs/dbraw/zinc/50/23/44/396502344.db2.gz AHEIWNUDPGCEOK-JOYOIKCWSA-N 0 0 310.308 0.836 10 30 DCEERN C=CCOC[C@H]1NC(=O)N(C[C@@H](CC(=O)OC)C2CC2)C1=O ZINC000594750464 396506083 /nfs/dbraw/zinc/50/60/83/396506083.db2.gz ZSLNRGYJNNFRDE-VXGBXAGGSA-N 0 0 310.350 0.699 10 30 DCEERN N#Cc1ccc2ncc(CN3CCC[C@@]4(C3)NC(=O)NC4=O)n2c1 ZINC000193469888 396451988 /nfs/dbraw/zinc/45/19/88/396451988.db2.gz GAHNSMHUVLAMLD-INIZCTEOSA-N 0 0 324.344 0.380 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)OC ZINC000581886613 396590892 /nfs/dbraw/zinc/59/08/92/396590892.db2.gz LXLXSFBTMYBBIP-DGCLKSJQSA-N 0 0 321.377 0.939 10 30 DCEERN C[C@H]1OCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H]1C ZINC000586860967 396669199 /nfs/dbraw/zinc/66/91/99/396669199.db2.gz UOVQVQJUVRCKCA-GHMZBOCLSA-N 0 0 319.336 0.949 10 30 DCEERN Cc1cc(C#N)nc(N[C@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000588031572 396675334 /nfs/dbraw/zinc/67/53/34/396675334.db2.gz WAYIQLJVFAOEHA-LBPRGKRZSA-N 0 0 311.349 0.998 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000634133724 396790520 /nfs/dbraw/zinc/79/05/20/396790520.db2.gz WPWZONGPDDVYQS-KBPBESRZSA-N 0 0 309.410 0.927 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000600300620 396793702 /nfs/dbraw/zinc/79/37/02/396793702.db2.gz JIYQSYXWUNKMDN-WFASDCNBSA-N 0 0 312.366 0.248 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000610579324 396731938 /nfs/dbraw/zinc/73/19/38/396731938.db2.gz CQHXLHSHGCEYTP-BMIGLBTASA-N 0 0 315.333 0.005 10 30 DCEERN C=C(C)Cn1c(C2CC2)nnc1N1CCO[C@@H](CC(N)=O)C1 ZINC000624967547 396735734 /nfs/dbraw/zinc/73/57/34/396735734.db2.gz NDWXWHAQGNEYJA-LBPRGKRZSA-N 0 0 305.382 0.812 10 30 DCEERN C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629434621 396755600 /nfs/dbraw/zinc/75/56/00/396755600.db2.gz CUWWLEKDEKJKGL-DOTOQJQBSA-N 0 0 319.405 0.726 10 30 DCEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000629888282 396863250 /nfs/dbraw/zinc/86/32/50/396863250.db2.gz DOYVBGBATFSBLK-QWHCGFSZSA-N 0 0 318.439 0.755 10 30 DCEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000629893317 396865743 /nfs/dbraw/zinc/86/57/43/396865743.db2.gz QRBJNOFXMMTDNO-AAEUAGOBSA-N 0 0 304.412 0.101 10 30 DCEERN C[C@H](CNC(=O)NCc1ccc(C#N)cc1F)S(C)(=O)=O ZINC000611085335 396815220 /nfs/dbraw/zinc/81/52/20/396815220.db2.gz WMMUBAMVPQLWGW-SECBINFHSA-N 0 0 313.354 0.930 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000625451319 396879741 /nfs/dbraw/zinc/87/97/41/396879741.db2.gz JJKBSRWYXHTISB-CHWSQXEVSA-N 0 0 321.421 0.975 10 30 DCEERN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000611527228 396879942 /nfs/dbraw/zinc/87/99/42/396879942.db2.gz JUETVWPVQBWXFB-OTYXRUKQSA-N 0 0 319.336 0.589 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000611548127 396884862 /nfs/dbraw/zinc/88/48/62/396884862.db2.gz FMNKIHUHFMCXGB-UHFFFAOYSA-N 0 0 320.345 0.659 10 30 DCEERN CC1(C#N)CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000611561304 396886199 /nfs/dbraw/zinc/88/61/99/396886199.db2.gz SWZMTORARLJNJH-LBPRGKRZSA-N 0 0 313.423 0.953 10 30 DCEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000611978075 396968949 /nfs/dbraw/zinc/96/89/49/396968949.db2.gz BGSIZYSMQYNXGX-KBPBESRZSA-N 0 0 315.373 0.295 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000612037785 396987785 /nfs/dbraw/zinc/98/77/85/396987785.db2.gz RMYBTABSKVUGRH-CQSZACIVSA-N 0 0 319.409 0.989 10 30 DCEERN C=CCOCCCNC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000618526956 396988714 /nfs/dbraw/zinc/98/87/14/396988714.db2.gz WGLOGDNDKMLWSS-UHFFFAOYSA-N 0 0 317.349 0.993 10 30 DCEERN C=CCOCCCNC(=O)c1cc(S(N)(=O)=O)oc1C ZINC000618524632 396988863 /nfs/dbraw/zinc/98/88/63/396988863.db2.gz MIILWYNIDLPXRA-UHFFFAOYSA-N 0 0 302.352 0.558 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000597567544 397015979 /nfs/dbraw/zinc/01/59/79/397015979.db2.gz QKTPFYNOULXYPW-RZZGRXHGSA-N 0 0 300.424 0.684 10 30 DCEERN C=CCOC[C@H](NC(=O)Cc1cc(C2CC2)no1)C(=O)OC ZINC000597607051 397029886 /nfs/dbraw/zinc/02/98/86/397029886.db2.gz MBWWAQYZFPJOEX-ZDUSSCGKSA-N 0 0 308.334 0.955 10 30 DCEERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C#N)[nH]c1C ZINC000591675413 396973817 /nfs/dbraw/zinc/97/38/17/396973817.db2.gz LGIKAEUKCLLUMQ-OAHLLOKOSA-N 0 0 304.350 0.562 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000612004106 396978622 /nfs/dbraw/zinc/97/86/22/396978622.db2.gz SFFCUWYCYXBTAJ-DCAQKATOSA-N 0 0 318.320 0.234 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)OC ZINC000612553612 397094636 /nfs/dbraw/zinc/09/46/36/397094636.db2.gz HHWMISMYJYRXQH-LBPRGKRZSA-N 0 0 320.345 0.394 10 30 DCEERN C=CCCO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000619224465 397101606 /nfs/dbraw/zinc/10/16/06/397101606.db2.gz KAFRGVFJKOSIDL-RVMXOQNASA-N 0 0 317.407 0.238 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000612614480 397104549 /nfs/dbraw/zinc/10/45/49/397104549.db2.gz YPZWSSCHASBLOD-AWEZNQCLSA-N 0 0 310.394 0.865 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N(c2cccc3c2NC(=O)CO3)C1=O ZINC000630542549 397041585 /nfs/dbraw/zinc/04/15/85/397041585.db2.gz AJGCZYGVXCVKDU-VIFPVBQESA-N 0 0 317.301 0.645 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)OC ZINC000601501643 397154334 /nfs/dbraw/zinc/15/43/34/397154334.db2.gz OJUIYZXJIJLLCG-NSHDSACASA-N 0 0 304.412 0.508 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@H]1CC(=O)N(CC)C1)C(=O)OC ZINC000601501211 397154597 /nfs/dbraw/zinc/15/45/97/397154597.db2.gz JZXQVBGTSBJVMK-QWRGUYRKSA-N 0 0 318.395 0.034 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)OC ZINC000601502598 397154741 /nfs/dbraw/zinc/15/47/41/397154741.db2.gz RBSNZOIBAUETGA-SNVBAGLBSA-N 0 0 301.368 0.689 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC ZINC000601501110 397154793 /nfs/dbraw/zinc/15/47/93/397154793.db2.gz ICXSTEQPUBZCMA-GHMZBOCLSA-N 0 0 303.384 0.420 10 30 DCEERN C[C@@H](C(=O)N1CCO[C@@H](C(F)(F)F)C1)n1cnc(C#N)n1 ZINC000619613553 397159816 /nfs/dbraw/zinc/15/98/16/397159816.db2.gz LGKKTTYUBRZIIQ-JGVFFNPUSA-N 0 0 303.244 0.500 10 30 DCEERN CCN1CC[C@H](NC(=O)COc2ccc(C#N)cc2OC)C1=O ZINC000619801601 397195124 /nfs/dbraw/zinc/19/51/24/397195124.db2.gz HSRMIYLCGFVOHJ-LBPRGKRZSA-N 0 0 317.345 0.683 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2nnc(C3CC3)o2)CC1 ZINC000631313365 397206551 /nfs/dbraw/zinc/20/65/51/397206551.db2.gz SOBXQJOCJDFWJH-UHFFFAOYSA-N 0 0 319.365 0.007 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)OC ZINC000601779144 397243337 /nfs/dbraw/zinc/24/33/37/397243337.db2.gz RQFMFTYKWUDRQN-VXGBXAGGSA-N 0 0 312.366 0.105 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)OC ZINC000601787275 397245634 /nfs/dbraw/zinc/24/56/34/397245634.db2.gz LKMMLSZOSBQPNJ-QWRGUYRKSA-N 0 0 303.380 0.578 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)OC ZINC000601787268 397245802 /nfs/dbraw/zinc/24/58/02/397245802.db2.gz LJNHJCSSNGGHDN-NSHDSACASA-N 0 0 322.365 0.552 10 30 DCEERN C=CCOCCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000385870875 397286807 /nfs/dbraw/zinc/28/68/07/397286807.db2.gz MTTDIWPWFPDHFQ-UHFFFAOYSA-N 0 0 313.375 0.883 10 30 DCEERN C=CCC1(C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)CCOCC1 ZINC000592930555 397294886 /nfs/dbraw/zinc/29/48/86/397294886.db2.gz QXGSNNMTJUQFGY-STQMWFEESA-N 0 0 311.378 0.742 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000620245954 397253411 /nfs/dbraw/zinc/25/34/11/397253411.db2.gz CRXXEUASLBARKQ-CABCVRRESA-N 0 0 321.421 0.928 10 30 DCEERN CC(=O)N1CCN(C(=O)CN2Cc3cccc(C#N)c3C2)CC1 ZINC000593125356 397331763 /nfs/dbraw/zinc/33/17/63/397331763.db2.gz MHDKMHUKWYPRGZ-UHFFFAOYSA-N 0 0 312.373 0.565 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1C[C@@H](OC)C[C@@]1(C)CO ZINC000602239574 397350613 /nfs/dbraw/zinc/35/06/13/397350613.db2.gz NLUGZNREYCDHQP-FZMZJTMJSA-N 0 0 316.423 0.020 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Cc1cccnc1 ZINC000613990294 397358949 /nfs/dbraw/zinc/35/89/49/397358949.db2.gz QMPQURBVWOCPKI-HZPDHXFCSA-N 0 0 319.405 0.820 10 30 DCEERN C=CCC[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)OCC ZINC000602161365 397328717 /nfs/dbraw/zinc/32/87/17/397328717.db2.gz UDXYKIGQZXNZKK-NEPJUHHUSA-N 0 0 317.407 0.968 10 30 DCEERN CO[C@@H]1COC[C@@H]1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000458354128 397428900 /nfs/dbraw/zinc/42/89/00/397428900.db2.gz HOIMCHOHJRRDRE-RWSFTLGLSA-N 0 0 312.366 0.778 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2C[C@@H](C(=O)OC)CCN2C1=O ZINC000424626058 397400754 /nfs/dbraw/zinc/40/07/54/397400754.db2.gz SXCMRRLWOHSZBQ-RVMXOQNASA-N 0 0 322.361 0.793 10 30 DCEERN C=CCn1cc(CNC(=O)C2CN(CC(F)(F)F)C2)nn1 ZINC000424908423 397402752 /nfs/dbraw/zinc/40/27/52/397402752.db2.gz OVBIHVOXTHPGEN-UHFFFAOYSA-N 0 0 303.288 0.574 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000424933753 397403862 /nfs/dbraw/zinc/40/38/62/397403862.db2.gz RUGVRTYOFMUVPF-ONGXEEELSA-N 0 0 314.363 0.509 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000425485872 397406431 /nfs/dbraw/zinc/40/64/31/397406431.db2.gz KLCUIKGGTGTYEC-JQWIXIFHSA-N 0 0 307.354 0.030 10 30 DCEERN C=CCCCCCNC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000578245402 397412318 /nfs/dbraw/zinc/41/23/18/397412318.db2.gz NJCFQHKHNYNDDY-UHFFFAOYSA-N 0 0 316.383 0.904 10 30 DCEERN CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000594483391 397561200 /nfs/dbraw/zinc/56/12/00/397561200.db2.gz BOOKHQSCOLALRT-GFCCVEGCSA-N 0 0 318.782 0.887 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC1(C#N)CC1 ZINC000579427552 397565950 /nfs/dbraw/zinc/56/59/50/397565950.db2.gz UVRJUAIOKDXNDE-VHSXEESVSA-N 0 0 310.354 0.046 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCOC[C@@H]1C)C(=O)OC ZINC000603395020 397605813 /nfs/dbraw/zinc/60/58/13/397605813.db2.gz GGPUDUCWTXMLAA-SRVKXCTJSA-N 0 0 305.396 0.839 10 30 DCEERN C=CCNC(=O)CN1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000607357298 397701385 /nfs/dbraw/zinc/70/13/85/397701385.db2.gz CRDZQNYNLCVLET-HNNXBMFYSA-N 0 0 311.426 0.102 10 30 DCEERN N#Cc1cccc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000120178212 158194581 /nfs/dbraw/zinc/19/45/81/158194581.db2.gz XXKDLDOMAJEKEI-CQSZACIVSA-N 0 0 310.375 0.626 10 30 DCEERN CC(=O)N1CCOC[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000121353338 158210326 /nfs/dbraw/zinc/21/03/26/158210326.db2.gz MSPLWORIJQJGKM-AWEZNQCLSA-N 0 0 305.309 0.561 10 30 DCEERN CNC(=O)Cn1cc(NCc2cnc3ccc(C#N)cn23)cn1 ZINC000123585702 158231745 /nfs/dbraw/zinc/23/17/45/158231745.db2.gz NGRQAQLUMGSMNO-UHFFFAOYSA-N 0 0 309.333 0.761 10 30 DCEERN C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)C(=O)N(C)C ZINC000175619470 158429188 /nfs/dbraw/zinc/42/91/88/158429188.db2.gz JBJJYCSOZSMTFM-NSHDSACASA-N 0 0 304.350 0.713 10 30 DCEERN CC(=O)c1cn(Cc2ccc(C#N)c(F)c2)c(=O)n(C)c1=O ZINC000188072510 158542600 /nfs/dbraw/zinc/54/26/00/158542600.db2.gz NJHFUDWOPNUYKR-UHFFFAOYSA-N 0 0 301.277 0.809 10 30 DCEERN N#Cc1cc(C(=O)NCCN2C(=O)c3ccccc3C2=O)ccn1 ZINC000192850901 158578820 /nfs/dbraw/zinc/57/88/20/158578820.db2.gz YFPIDWCBQSHMDH-UHFFFAOYSA-N 0 0 320.308 0.979 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000329248099 159076801 /nfs/dbraw/zinc/07/68/01/159076801.db2.gz SHHIQGUGEZAGNT-LBPRGKRZSA-N 0 0 318.362 0.571 10 30 DCEERN N#Cc1ncc(OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000330186003 159148787 /nfs/dbraw/zinc/14/87/87/159148787.db2.gz RRZXYELNSYFKIJ-OLZOCXBDSA-N 0 0 302.334 0.897 10 30 DCEERN N#Cc1cccnc1N1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408399843 160100491 /nfs/dbraw/zinc/10/04/91/160100491.db2.gz LMRSIUIYBOWJMR-ZDUSSCGKSA-N 0 0 320.418 0.510 10 30 DCEERN C[C@H]1CC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000128678246 286983883 /nfs/dbraw/zinc/98/38/83/286983883.db2.gz SAIKRMRJZBCNKJ-JTQLQIEISA-N 0 0 306.343 0.727 10 30 DCEERN CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1C[C@@H](C)O ZINC000165727768 287203382 /nfs/dbraw/zinc/20/33/82/287203382.db2.gz FYTXLABLWZKSAZ-CHWSQXEVSA-N 0 0 315.439 0.397 10 30 DCEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCC(=O)NC1=O ZINC000271157372 415263976 /nfs/dbraw/zinc/26/39/76/415263976.db2.gz HRXWUFXEGDGGHD-JTQLQIEISA-N 0 0 319.292 0.764 10 30 DCEERN C=CCNc1nnc(SC[C@@H](O)CN2CCOCC2)s1 ZINC000048375968 415290345 /nfs/dbraw/zinc/29/03/45/415290345.db2.gz OVNHVQZXNRSDGP-JTQLQIEISA-N 0 0 316.452 0.921 10 30 DCEERN CC(C)(O)C#Cc1ccc(CN2CC[C@]([NH3+])(C(=O)[O-])C2)s1 ZINC000067641441 415380968 /nfs/dbraw/zinc/38/09/68/415380968.db2.gz HWHSNVNZEFZURG-OAHLLOKOSA-N 0 0 308.403 0.858 10 30 DCEERN C[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)N1CCOCC1 ZINC000089707944 415522931 /nfs/dbraw/zinc/52/29/31/415522931.db2.gz INECEBYWIRSYTF-AWEZNQCLSA-N 0 0 317.389 0.968 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)NC ZINC000287045710 415639233 /nfs/dbraw/zinc/63/92/33/415639233.db2.gz IZYHAEIILIAISA-AWEZNQCLSA-N 0 0 323.418 0.469 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCCO2)CC1 ZINC000114944675 415723016 /nfs/dbraw/zinc/72/30/16/415723016.db2.gz FGGDDWIFYBAXFW-CQSZACIVSA-N 0 0 324.425 0.185 10 30 DCEERN C[C@H](C#N)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000120623875 415778646 /nfs/dbraw/zinc/77/86/46/415778646.db2.gz FJVDBQITSVQQDG-HWPZZCPQSA-N 0 0 312.329 0.408 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)C1=O ZINC000354666886 415810221 /nfs/dbraw/zinc/81/02/21/415810221.db2.gz GJRQVAIRLSOMKK-UTUOFQBUSA-N 0 0 321.377 0.856 10 30 DCEERN N#Cc1c[nH]c(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)c1 ZINC000354694412 415814250 /nfs/dbraw/zinc/81/42/50/415814250.db2.gz KGWHTTIIWZZUFI-LBPRGKRZSA-N 0 0 321.344 1.256 10 30 DCEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000121905040 415820540 /nfs/dbraw/zinc/82/05/40/415820540.db2.gz RQFKBBGHHFIWOD-MRVPVSSYSA-N 0 0 315.333 0.681 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cnc3cnccn23)CC1 ZINC000122216878 415828413 /nfs/dbraw/zinc/82/84/13/415828413.db2.gz ZARNVTXZNIFSNL-UHFFFAOYSA-N 0 0 314.393 0.149 10 30 DCEERN C#Cc1ccc(CNC(=O)CNS(=O)(=O)CCOCC)cc1 ZINC000295539208 415897127 /nfs/dbraw/zinc/89/71/27/415897127.db2.gz SAWRCXXUCRYKOG-UHFFFAOYSA-N 0 0 324.402 0.240 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000337046723 415898783 /nfs/dbraw/zinc/89/87/83/415898783.db2.gz GKGLFVDBMQNJKQ-NEPJUHHUSA-N 0 0 304.412 0.101 10 30 DCEERN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000295554599 415898890 /nfs/dbraw/zinc/89/88/90/415898890.db2.gz KPOQYIZQQWPDPU-KGLIPLIRSA-N 0 0 304.394 0.852 10 30 DCEERN COC[C@H]1C[C@@H](OC)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000344385625 415900631 /nfs/dbraw/zinc/90/06/31/415900631.db2.gz QMJSMAOTOIDZPU-HZPDHXFCSA-N 0 0 317.389 0.910 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC000337083474 415905791 /nfs/dbraw/zinc/90/57/91/415905791.db2.gz YDBTUBRQNZLRMW-QWHCGFSZSA-N 0 0 318.439 0.634 10 30 DCEERN C=CCCS(=O)(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000131188698 415928067 /nfs/dbraw/zinc/92/80/67/415928067.db2.gz KUGZPUQDJRDGSL-LBPRGKRZSA-N 0 0 314.382 0.965 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000355354417 415860394 /nfs/dbraw/zinc/86/03/94/415860394.db2.gz ZEALQUMJYVFHFY-WMLDXEAASA-N 0 0 324.421 0.944 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NCCOCCS(C)(=O)=O ZINC000125365335 415865265 /nfs/dbraw/zinc/86/52/65/415865265.db2.gz REKGIPPPWHUOFX-UHFFFAOYSA-N 0 0 310.375 0.658 10 30 DCEERN C=CCCS(=O)(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134702072 415958551 /nfs/dbraw/zinc/95/85/51/415958551.db2.gz JLEMKOHWKNYIQG-GFCCVEGCSA-N 0 0 322.452 0.392 10 30 DCEERN C#CCSCCNC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000141861901 415962066 /nfs/dbraw/zinc/96/20/66/415962066.db2.gz PDUMRHPMIADYFI-NSHDSACASA-N 0 0 323.422 0.816 10 30 DCEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(CCOC)nn1C ZINC000154626752 415991474 /nfs/dbraw/zinc/99/14/74/415991474.db2.gz UYUGVDCSCVFMRO-UHFFFAOYSA-N 0 0 308.382 0.972 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000337231060 415932351 /nfs/dbraw/zinc/93/23/51/415932351.db2.gz WRQXSSGGKXOPLX-LLVKDONJSA-N 0 0 317.407 0.825 10 30 DCEERN CCN(CC)C(=O)CN1CCN(c2cnc(C#N)cn2)CC1 ZINC000133035447 415937739 /nfs/dbraw/zinc/93/77/39/415937739.db2.gz NHGRBWPXOTZWDV-UHFFFAOYSA-N 0 0 302.382 0.339 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)CS(=O)(=O)CCOC ZINC000299309205 416060880 /nfs/dbraw/zinc/06/08/80/416060880.db2.gz RZJDTTFNBRLDMR-UHFFFAOYSA-N 0 0 303.302 0.625 10 30 DCEERN CN(C(=O)CN1C[C@H](F)C[C@H]1C(N)=O)C1(C#N)CCCCC1 ZINC000299746240 416064664 /nfs/dbraw/zinc/06/46/64/416064664.db2.gz VZYQPUVZHSLPJN-NEPJUHHUSA-N 0 0 310.373 0.569 10 30 DCEERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CC1(C#N)CC1)CC2 ZINC000165417335 416021612 /nfs/dbraw/zinc/02/16/12/416021612.db2.gz UNKOBAKUNRCMTQ-LLVKDONJSA-N 0 0 323.422 0.939 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)CCn1cccn1 ZINC000337918752 416022346 /nfs/dbraw/zinc/02/23/46/416022346.db2.gz WXKDTXXSZAPFKW-CYBMUJFWSA-N 0 0 318.381 0.885 10 30 DCEERN Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(C#N)c(C)n1 ZINC000301749532 416089932 /nfs/dbraw/zinc/08/99/32/416089932.db2.gz ADIBOPYOZBTQLM-UHFFFAOYSA-N 0 0 301.394 0.780 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000328602564 416122939 /nfs/dbraw/zinc/12/29/39/416122939.db2.gz CCPHFGDVAFUXCW-QWRGUYRKSA-N 0 0 307.329 0.574 10 30 DCEERN CN(C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CCNC1=O ZINC000328809500 416134098 /nfs/dbraw/zinc/13/40/98/416134098.db2.gz DKADHHTXURURIY-GHMZBOCLSA-N 0 0 320.353 0.100 10 30 DCEERN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)cn2C)C1 ZINC000177662936 416150041 /nfs/dbraw/zinc/15/00/41/416150041.db2.gz CYYHTMDKHUUEGD-AWEZNQCLSA-N 0 0 304.394 0.983 10 30 DCEERN C[C@H](NC([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCCOC1 ZINC000329094545 416150182 /nfs/dbraw/zinc/15/01/82/416150182.db2.gz XRUGGKZLMOTKMW-QNWHQSFQSA-N 0 0 309.370 0.537 10 30 DCEERN N#Cc1ncn(CCNC(=O)NCc2ccc3cc[nH]c3n2)n1 ZINC000358000135 416169540 /nfs/dbraw/zinc/16/95/40/416169540.db2.gz GLEUHTDWITVYLS-UHFFFAOYSA-N 0 0 310.321 0.525 10 30 DCEERN CN(C(=O)NC[C@@H]1CCCCS1(=O)=O)[C@@H]1CCNC1=O ZINC000329754128 416188495 /nfs/dbraw/zinc/18/84/95/416188495.db2.gz KOSRLKIOHZZOQG-VHSXEESVSA-N 0 0 303.384 0.528 10 30 DCEERN C=CCN(C)C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000340507361 416190490 /nfs/dbraw/zinc/19/04/90/416190490.db2.gz DCXRSKAHCYBFCW-UHFFFAOYSA-N 0 0 302.378 0.811 10 30 DCEERN C=C(C)CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000347993340 416229708 /nfs/dbraw/zinc/22/97/08/416229708.db2.gz LVLGQOJYSLDFDD-GFCCVEGCSA-N 0 0 318.443 0.475 10 30 DCEERN CC[C@H]1CN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCS1 ZINC000329244509 416158553 /nfs/dbraw/zinc/15/85/53/416158553.db2.gz UOQVGLJWNYSBOP-SDDRHHMPSA-N 0 0 311.411 0.959 10 30 DCEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCN1CCNC(=O)C1 ZINC000329305617 416161668 /nfs/dbraw/zinc/16/16/68/416161668.db2.gz OVYHWKJSVYJMAM-LLVKDONJSA-N 0 0 321.385 0.197 10 30 DCEERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC000329312872 416164338 /nfs/dbraw/zinc/16/43/38/416164338.db2.gz GOOXLIVZTQWIHP-VXGBXAGGSA-N 0 0 305.382 0.966 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000341861278 416243949 /nfs/dbraw/zinc/24/39/49/416243949.db2.gz WTXVWXPBVWQBAT-ZIAGYGMSSA-N 0 0 319.409 0.929 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)CC(=O)NC(C)C ZINC000350741303 416270207 /nfs/dbraw/zinc/27/02/07/416270207.db2.gz NIEKAXPEFHEHON-LBPRGKRZSA-N 0 0 323.397 0.513 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000342032437 416270533 /nfs/dbraw/zinc/27/05/33/416270533.db2.gz ZTILKQQJWGYBIT-UHFFFAOYSA-N 0 0 307.272 0.894 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc(CO)cc2)CC1 ZINC000351970801 416284499 /nfs/dbraw/zinc/28/44/99/416284499.db2.gz JKBFMJBERSUDIO-UHFFFAOYSA-N 0 0 303.406 0.599 10 30 DCEERN COCCN1CCCN(C(=O)c2ccc(C#N)cn2)CC1=O ZINC000191241190 416284768 /nfs/dbraw/zinc/28/47/68/416284768.db2.gz VZHJTOUKJWIWOD-UHFFFAOYSA-N 0 0 302.334 0.274 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195392113 416326142 /nfs/dbraw/zinc/32/61/42/416326142.db2.gz STVXHOBLZWESRT-NSHDSACASA-N 0 0 324.406 0.837 10 30 DCEERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000360241040 416381551 /nfs/dbraw/zinc/38/15/51/416381551.db2.gz YDKDHXJSZNFVHF-PGUXBMHVSA-N 0 0 319.365 0.949 10 30 DCEERN CNC(=O)Cn1nc(NC(=O)Cc2cccc(C#N)c2)cc1C ZINC000535058991 416515119 /nfs/dbraw/zinc/51/51/19/416515119.db2.gz WWIPQTJWXHRQKC-UHFFFAOYSA-N 0 0 311.345 0.990 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000362900275 416572558 /nfs/dbraw/zinc/57/25/58/416572558.db2.gz ISBATEWJTXIEHY-UHFFFAOYSA-N 0 0 318.402 0.680 10 30 DCEERN C=CCCS(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000491912731 416633476 /nfs/dbraw/zinc/63/34/76/416633476.db2.gz LLUGYHFLEYFESW-UHFFFAOYSA-N 0 0 304.412 0.462 10 30 DCEERN C=CCOCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000612817630 416673528 /nfs/dbraw/zinc/67/35/28/416673528.db2.gz QEWCGRCUDXWFBL-UHFFFAOYSA-N 0 0 315.377 0.987 10 30 DCEERN C=C[C@H](O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000614869172 416719417 /nfs/dbraw/zinc/71/94/17/416719417.db2.gz LJAZILZHJUPYBS-ZOWXZIJZSA-N 0 0 316.357 0.569 10 30 DCEERN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000442975471 416722500 /nfs/dbraw/zinc/72/25/00/416722500.db2.gz UMLCOUDGYDORIJ-DLOFLVKXSA-N 0 0 307.394 0.708 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000425908066 416735568 /nfs/dbraw/zinc/73/55/68/416735568.db2.gz FOFSRABIMNULMA-XGUBFFRZSA-N 0 0 323.437 0.635 10 30 DCEERN N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000615627844 416874556 /nfs/dbraw/zinc/87/45/56/416874556.db2.gz HORVAETXYFNVGD-AWEZNQCLSA-N 0 0 301.281 0.737 10 30 DCEERN C=CCCCN(C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631990938 416852873 /nfs/dbraw/zinc/85/28/73/416852873.db2.gz IZQBFDBZNAPSCE-GFCCVEGCSA-N 0 0 324.468 0.496 10 30 DCEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623622723 416854893 /nfs/dbraw/zinc/85/48/93/416854893.db2.gz CIWZZEAPPZUCOV-VXGBXAGGSA-N 0 0 315.381 0.967 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000624008400 416938148 /nfs/dbraw/zinc/93/81/48/416938148.db2.gz XKYXEYBDAIZBCA-UNXYVOJBSA-N 0 0 301.412 0.674 10 30 DCEERN C=CC[C@@H](CC)NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632301495 417013374 /nfs/dbraw/zinc/01/33/74/417013374.db2.gz BQUYVBLXBRCPSK-NWDGAFQWSA-N 0 0 324.468 0.542 10 30 DCEERN C=CCn1cc(CNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)nn1 ZINC000566136801 417041581 /nfs/dbraw/zinc/04/15/81/417041581.db2.gz KZIQVTGCQUPYOC-JQWIXIFHSA-N 0 0 300.384 0.451 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc2n(c1=O)CCS2 ZINC000566120392 417042581 /nfs/dbraw/zinc/04/25/81/417042581.db2.gz PHVKHHZOZOKFJE-ONGXEEELSA-N 0 0 307.375 0.670 10 30 DCEERN C=CCN(C(=O)c1coc(OC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000624490206 417044457 /nfs/dbraw/zinc/04/44/57/417044457.db2.gz UYLGOKVMODOOCE-VIFPVBQESA-N 0 0 300.336 0.499 10 30 DCEERN C=C[C@@H](O)C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC ZINC000616450787 417053123 /nfs/dbraw/zinc/05/31/23/417053123.db2.gz PEVPJYJJCRSIPE-WCQYABFASA-N 0 0 324.352 0.402 10 30 DCEERN 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CC#CCN(C)C(=O)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000635177524 417600129 /nfs/dbraw/zinc/60/01/29/417600129.db2.gz LVIHEZQXDXWPCZ-UHFFFAOYSA-N 0 0 301.302 0.438 10 30 DCEERN C=C(CC)CNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000455538216 417609626 /nfs/dbraw/zinc/60/96/26/417609626.db2.gz NJOOAMXYDOPWAE-UHFFFAOYSA-N 0 0 318.443 0.476 10 30 DCEERN C=CCN(C(=O)c1ccnc(N2CCOCC2)n1)[C@H](C)COC ZINC000628054774 417564648 /nfs/dbraw/zinc/56/46/48/417564648.db2.gz DVUGLIHUKKMFBF-CYBMUJFWSA-N 0 0 320.393 0.976 10 30 DCEERN CN1CCN(C(=O)CCNC(=O)Cc2cccc(C#N)c2)CC1 ZINC000531392529 417622101 /nfs/dbraw/zinc/62/21/01/417622101.db2.gz BATXWRUKPCEDDL-UHFFFAOYSA-N 0 0 314.389 0.381 10 30 DCEERN N#Cc1ncn(CC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000494958320 287583048 /nfs/dbraw/zinc/58/30/48/287583048.db2.gz OQTXEDPMWFNBDR-GFCCVEGCSA-N 0 0 310.317 0.071 10 30 DCEERN CNC(=O)CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000184723539 261119750 /nfs/dbraw/zinc/11/97/50/261119750.db2.gz FAPDURUGAMDJBD-UHFFFAOYSA-N 0 0 304.325 0.482 10 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1190438280 /nfs/dbraw/zinc/43/82/80/1190438280.db2.gz QNICSJMYMMHZJS-SNVBAGLBSA-N 0 0 312.391 0.729 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCN1C(=O)CN(C)C1=O ZINC000424899767 334935181 /nfs/dbraw/zinc/93/51/81/334935181.db2.gz DKCUFOAFUGQPFZ-RYUDHWBXSA-N 0 0 309.366 0.368 10 30 DCEERN C=CCn1cc(CNC(=O)[C@H](CCCC)NC(=O)NCC)nn1 ZINC000424908987 334936746 /nfs/dbraw/zinc/93/67/46/334936746.db2.gz RDYFDCRISKBGKC-ZDUSSCGKSA-N 0 0 322.413 0.958 10 30 DCEERN C[C@@H](C(=O)N(C)CCC#N)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155119007 295705864 /nfs/dbraw/zinc/70/58/64/295705864.db2.gz RKZUTAAVSFPYTL-NSHDSACASA-N 0 0 301.412 0.256 10 30 DCEERN CN1CCN(c2nnc(C3CC3)n2C[C@H]2CCCO2)C[C@H]1C#N ZINC000328786393 529778591 /nfs/dbraw/zinc/77/85/91/529778591.db2.gz WOVHTPQWNUYTPI-ZIAGYGMSSA-N 0 0 316.409 0.978 10 30 DCEERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178527860 529923084 /nfs/dbraw/zinc/92/30/84/529923084.db2.gz ZKNFPIVAUSDCBR-CYBMUJFWSA-N 0 0 314.345 0.542 10 30 DCEERN 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C=CCS(=O)(=O)CCNC(=O)NCCCc1ccccn1 ZINC000272903133 210290559 /nfs/dbraw/zinc/29/05/59/210290559.db2.gz ZCLIFEMKEOOCKK-UHFFFAOYSA-N 0 0 311.407 0.914 10 30 DCEERN C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)CC2CC2)CC1 ZINC000329312281 533097222 /nfs/dbraw/zinc/09/72/22/533097222.db2.gz GLWRZCCHPPFNMQ-NSHDSACASA-N 0 0 315.439 0.851 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000430389419 533539506 /nfs/dbraw/zinc/53/95/06/533539506.db2.gz QMWBFFZRTBOAEO-KFWWJZLASA-N 0 0 322.405 0.721 10 30 DCEERN Cc1cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(C)n1 ZINC000375200694 533657380 /nfs/dbraw/zinc/65/73/80/533657380.db2.gz NIYMBWMDUSQVKS-CQSZACIVSA-N 0 0 302.382 0.610 10 30 DCEERN COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NO)cc1 ZINC000013801716 395688972 /nfs/dbraw/zinc/68/89/72/395688972.db2.gz WFVYENBQHIIIQE-LBPRGKRZSA-N 0 0 314.363 0.744 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)Nc2nccs2)CC1 ZINC000029065070 395696769 /nfs/dbraw/zinc/69/67/69/395696769.db2.gz VSWAPGCOFWREGN-UHFFFAOYSA-N 0 0 323.422 0.001 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000273398735 395918661 /nfs/dbraw/zinc/91/86/61/395918661.db2.gz IDHBAULXMGLGKE-NSHDSACASA-N 0 0 306.366 0.772 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000273400934 395918842 /nfs/dbraw/zinc/91/88/42/395918842.db2.gz INOFLLVIHXOSIK-NWDGAFQWSA-N 0 0 304.346 0.854 10 30 DCEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1C ZINC000247063008 395965717 /nfs/dbraw/zinc/96/57/17/395965717.db2.gz PTFLPGPMIAGDNM-KWBADKCTSA-N 0 0 307.375 0.750 10 30 DCEERN C[C@H](CO)[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000151181152 395981389 /nfs/dbraw/zinc/98/13/89/395981389.db2.gz AYHSLGOGYIMLGR-NEPJUHHUSA-N 0 0 324.402 0.606 10 30 DCEERN C[C@@H](CO)[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000151181000 395981525 /nfs/dbraw/zinc/98/15/25/395981525.db2.gz AYHSLGOGYIMLGR-NWDGAFQWSA-N 0 0 324.402 0.606 10 30 DCEERN Cn1nccc1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163090079 396085842 /nfs/dbraw/zinc/08/58/42/396085842.db2.gz BIQCVSUMLPGWSU-UHFFFAOYSA-N 0 0 304.375 0.855 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000076598147 396206271 /nfs/dbraw/zinc/20/62/71/396206271.db2.gz JWPWJRUXDPEBDR-SWLSCSKDSA-N 0 0 316.357 0.914 10 30 DCEERN C#CCC(CC#C)C(=O)NC1CCN(CC(=O)NCCC)CC1 ZINC000278979423 396145068 /nfs/dbraw/zinc/14/50/68/396145068.db2.gz YIGGEPCHNFHSFG-UHFFFAOYSA-N 0 0 317.433 0.756 10 30 DCEERN CCc1cnc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)s1 ZINC000078513466 396246569 /nfs/dbraw/zinc/24/65/69/396246569.db2.gz ALXRKWOJVOJXMG-UHFFFAOYSA-N 0 0 319.390 0.629 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000183190066 396264869 /nfs/dbraw/zinc/26/48/69/396264869.db2.gz MHGXHXMHWUCVLD-LBPRGKRZSA-N 0 0 308.382 0.921 10 30 DCEERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1 ZINC000180263561 396231675 /nfs/dbraw/zinc/23/16/75/396231675.db2.gz IEXQSUWESXFMCK-UHFFFAOYSA-N 0 0 314.345 0.400 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000081714148 396307234 /nfs/dbraw/zinc/30/72/34/396307234.db2.gz QWCBEYASFNFLAR-NSHDSACASA-N 0 0 310.379 0.051 10 30 DCEERN C=CCN(C(=O)COc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000581416766 396552348 /nfs/dbraw/zinc/55/23/48/396552348.db2.gz XOJQTLYCEIZSGO-NSHDSACASA-N 0 0 313.379 0.001 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)NCC2CCOCC2)c(F)c1 ZINC000585723055 396650332 /nfs/dbraw/zinc/65/03/32/396650332.db2.gz UEYZXSDLIOJCGM-UHFFFAOYSA-N 0 0 319.336 0.856 10 30 DCEERN C=CCCSCCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000595726381 396652353 /nfs/dbraw/zinc/65/23/53/396652353.db2.gz VULQQOMDXKJXKJ-LLVKDONJSA-N 0 0 321.468 0.629 10 30 DCEERN Cn1cc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 ZINC000585779031 396653239 /nfs/dbraw/zinc/65/32/39/396653239.db2.gz WXSFXOIHGWUTJU-UHFFFAOYSA-N 0 0 315.308 0.363 10 30 DCEERN C=CCn1cc(CNC(=O)NC[C@@H](CC(=O)OC)C2CC2)nn1 ZINC000595642207 396641716 /nfs/dbraw/zinc/64/17/16/396641716.db2.gz DFVRLVPLNVQMAQ-GFCCVEGCSA-N 0 0 321.381 0.853 10 30 DCEERN 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301.393 0.307 10 30 DCEERN C=C1CCN(C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)CC1 ZINC000625286685 396831261 /nfs/dbraw/zinc/83/12/61/396831261.db2.gz JZMQXNAGGVPDIM-UHFFFAOYSA-N 0 0 309.410 0.975 10 30 DCEERN C=CCOCCCNC(=O)N1CCC([C@H](O)C(=O)OC)CC1 ZINC000596816740 396837481 /nfs/dbraw/zinc/83/74/81/396837481.db2.gz RQPOGXBWCZYWBZ-ZDUSSCGKSA-N 0 0 314.382 0.535 10 30 DCEERN C=CCN(C)C(=O)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000625384291 396854257 /nfs/dbraw/zinc/85/42/57/396854257.db2.gz WNAOKTTTXFRLBX-UHFFFAOYSA-N 0 0 303.318 0.392 10 30 DCEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000629888283 396863621 /nfs/dbraw/zinc/86/36/21/396863621.db2.gz DOYVBGBATFSBLK-STQMWFEESA-N 0 0 318.439 0.755 10 30 DCEERN C=CCOCCCC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000629892058 396865943 /nfs/dbraw/zinc/86/59/43/396865943.db2.gz YHDLWGYEMQZUCY-CYBMUJFWSA-N 0 0 318.439 0.757 10 30 DCEERN C=CCC[C@H](CO)NS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625239008 396812965 /nfs/dbraw/zinc/81/29/65/396812965.db2.gz 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/nfs/dbraw/zinc/04/09/32/546040932.db2.gz VYDBDRUSNRADFN-QWHCGFSZSA-N 0 0 317.455 0.546 10 30 DCEERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329483897 546049893 /nfs/dbraw/zinc/04/98/93/546049893.db2.gz FJBXAELAPJODSV-STQMWFEESA-N 0 0 310.398 0.816 10 30 DCEERN COc1cc(N2CCN(C(=O)N[C@@H]3CCO[C@H]3C)CC2)ncn1 ZINC000329636621 546053130 /nfs/dbraw/zinc/05/31/30/546053130.db2.gz YHAXBUCQKCDVLQ-NWDGAFQWSA-N 0 0 321.381 0.699 10 30 DCEERN COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000090713411 658412058 /nfs/dbraw/zinc/41/20/58/658412058.db2.gz WIVONIHEITYKEZ-VIFPVBQESA-N 0 0 312.322 0.881 10 30 DCEERN C[C@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000161390209 658663994 /nfs/dbraw/zinc/66/39/94/658663994.db2.gz WWJBQTOLEUJWDE-MRVPVSSYSA-N 0 0 311.338 0.908 10 30 DCEERN C#CCOCCC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000122647433 659726972 /nfs/dbraw/zinc/72/69/72/659726972.db2.gz OLRHSPCFVQYDLK-CYBMUJFWSA-N 0 0 306.337 0.626 10 30 DCEERN CNC(=O)C[C@@]1(O)CCCN(c2ccc(C#N)cc2CO)C1 ZINC000894304871 661841659 /nfs/dbraw/zinc/84/16/59/661841659.db2.gz BSBMHSJOYLVKOK-INIZCTEOSA-N 0 0 303.362 0.518 10 30 DCEERN C=CCCCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000342493602 662543334 /nfs/dbraw/zinc/54/33/34/662543334.db2.gz QZUCUYBVWHTBQE-BLLLJJGKSA-N 0 0 324.377 0.107 10 30 DCEERN C#CCN(C(=O)c1ccc(C#C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000729333017 662788319 /nfs/dbraw/zinc/78/83/19/662788319.db2.gz IEZSMNNAOARDLU-ZDUSSCGKSA-N 0 0 302.355 0.325 10 30 DCEERN C#CCN1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000730273153 664673675 /nfs/dbraw/zinc/67/36/75/664673675.db2.gz XWMWSRBCXHLOAH-AWEZNQCLSA-N 0 0 321.402 0.048 10 30 DCEERN CC(C)COCCC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000731863375 664886694 /nfs/dbraw/zinc/88/66/94/664886694.db2.gz VCYYLDSMTXILJO-PFONDFGASA-N 0 0 309.366 0.692 10 30 DCEERN C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000732175990 664907785 /nfs/dbraw/zinc/90/77/85/664907785.db2.gz IFZXTIRECLZROS-HOTGVXAUSA-N 0 0 317.433 0.945 10 30 DCEERN N#C[C@H]1CN(C(=O)CCCN2C(=O)CCC2=O)CCN1C1CC1 ZINC000732651003 664950210 /nfs/dbraw/zinc/95/02/10/664950210.db2.gz PURNZVYHVVHZMS-ZDUSSCGKSA-N 0 0 318.377 0.114 10 30 DCEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732665230 664950537 /nfs/dbraw/zinc/95/05/37/664950537.db2.gz WMTANOHEVGVARE-WFASDCNBSA-N 0 0 318.421 0.880 10 30 DCEERN COCCn1cnn(CN2CCN(C3CC3)[C@H](C#N)C2)c1=S ZINC000732666075 664951141 /nfs/dbraw/zinc/95/11/41/664951141.db2.gz GWLZLWPZGUMQQV-CYBMUJFWSA-N 0 0 322.438 0.690 10 30 DCEERN N#C[C@@H]1CN(CN2c3ccccc3C(=O)C2=O)CCN1C1CC1 ZINC000732672820 664951469 /nfs/dbraw/zinc/95/14/69/664951469.db2.gz NRCBHWUERMIBMD-CYBMUJFWSA-N 0 0 310.357 0.846 10 30 DCEERN C#CCNC(=O)CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732813219 664965620 /nfs/dbraw/zinc/96/56/20/664965620.db2.gz IYEGDIWDBAXJCN-CQSZACIVSA-N 0 0 303.337 0.612 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCN2CCSCC2)CCN1C1CC1 ZINC000732892098 664970464 /nfs/dbraw/zinc/97/04/64/664970464.db2.gz RHRUNNNNZJKEKI-CQSZACIVSA-N 0 0 323.466 0.417 10 30 DCEERN C#C[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000185292749 666400649 /nfs/dbraw/zinc/40/06/49/666400649.db2.gz UHCIDRKZCAQITD-SECBINFHSA-N 0 0 323.312 0.840 10 30 DCEERN C#CCCNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000733335118 666490995 /nfs/dbraw/zinc/49/09/95/666490995.db2.gz JWCUUYUHHNGJJW-UHFFFAOYSA-N 0 0 300.318 0.883 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccccc1OCCC(N)=O ZINC000733672820 666795414 /nfs/dbraw/zinc/79/54/14/666795414.db2.gz CCHWNIRCTBYPFC-UHFFFAOYSA-N 0 0 303.318 0.019 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(O)cc1 ZINC000733827250 666819152 /nfs/dbraw/zinc/81/91/52/666819152.db2.gz FNQUVBLJJQCFBN-JTQLQIEISA-N 0 0 322.317 0.715 10 30 DCEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000701337459 666832094 /nfs/dbraw/zinc/83/20/94/666832094.db2.gz UDPFKZNPOQGTTG-DCAQKATOSA-N 0 0 302.421 0.715 10 30 DCEERN C=C(COC(=O)[C@H]1CSCN1C(=O)CC)C(=O)OCC ZINC000734032322 666837413 /nfs/dbraw/zinc/83/74/13/666837413.db2.gz FXSJTASFGQTLTP-SNVBAGLBSA-N 0 0 301.364 0.960 10 30 DCEERN C#CCN(C(=O)c1cc(OC)ccn1)[C@H]1CCS(=O)(=O)C1 ZINC000734813736 666912670 /nfs/dbraw/zinc/91/26/70/666912670.db2.gz ZRBXPQBRIALVFW-NSHDSACASA-N 0 0 308.359 0.353 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)NCC[S@@](=O)CC)c1 ZINC000735113036 666954679 /nfs/dbraw/zinc/95/46/79/666954679.db2.gz RQWBYOYDANERIU-QFIPXVFZSA-N 0 0 321.402 0.674 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000702854106 667010890 /nfs/dbraw/zinc/01/08/90/667010890.db2.gz YMDSRLCOWWCAMU-QWRGUYRKSA-N 0 0 319.365 0.410 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)NCC[C@H](C)[S@](C)=O)c1 ZINC000131481008 669670632 /nfs/dbraw/zinc/67/06/32/669670632.db2.gz CYCKDKFCNAVOEP-WIUDPPPLSA-N 0 0 306.387 0.880 10 30 DCEERN C#CCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000132930214 669756826 /nfs/dbraw/zinc/75/68/26/669756826.db2.gz UHCPVJDDPSDGMM-HNNXBMFYSA-N 0 0 302.374 0.842 10 30 DCEERN N#CC1(COC(=O)[C@H]2COCCN2CC(F)F)CCOCC1 ZINC000194999169 670463389 /nfs/dbraw/zinc/46/33/89/670463389.db2.gz UYXGJYNLUCMSJX-LLVKDONJSA-N 0 0 318.320 0.816 10 30 DCEERN N#C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C1CC1 ZINC000108837240 670842434 /nfs/dbraw/zinc/84/24/34/670842434.db2.gz ADURCYTWLGQZGS-KGLIPLIRSA-N 0 0 311.345 0.525 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)C)cc2C1=O ZINC000005569439 672267473 /nfs/dbraw/zinc/26/74/73/672267473.db2.gz DPVGVEDOYZHSKH-UHFFFAOYSA-N 0 0 316.313 0.714 10 30 DCEERN C#C[C@@H](CO)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000718192362 685304638 /nfs/dbraw/zinc/30/46/38/685304638.db2.gz CJBKVMJLAAAXRL-QMMMGPOBSA-N 0 0 309.265 0.858 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@@H](CO)CC(F)F)c1 ZINC000718575076 685305249 /nfs/dbraw/zinc/30/52/49/685305249.db2.gz BGACMIQMFKELAF-SECBINFHSA-N 0 0 308.281 0.992 10 30 DCEERN C#CCN(C(=O)c1cnc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000227835056 1157716750 /nfs/dbraw/zinc/71/67/50/1157716750.db2.gz LISPFQHKOYVDDT-VIFPVBQESA-N 0 0 313.766 0.393 10 30 DCEERN C#CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)CC ZINC000187201026 1187461092 /nfs/dbraw/zinc/46/10/92/1187461092.db2.gz YWIDVYSTAKSPCO-UHFFFAOYSA-N 0 0 310.375 0.919 10 30 DCEERN CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1CCOC ZINC000165349046 529399669 /nfs/dbraw/zinc/39/96/69/529399669.db2.gz VPQHZNFGTJDKGS-CYBMUJFWSA-N 0 0 315.439 0.663 10 30 DCEERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)o3)[C@@H]2C1 ZINC000286598563 219075437 /nfs/dbraw/zinc/07/54/37/219075437.db2.gz GVOUBYFHRQBZQL-VXGBXAGGSA-N 0 0 311.363 0.245 10 30 DCEERN C=CCn1cc(CNC(=O)[C@@H](CCCC)NC(=O)NCC)nn1 ZINC000424908986 334936761 /nfs/dbraw/zinc/93/67/61/334936761.db2.gz RDYFDCRISKBGKC-CYBMUJFWSA-N 0 0 322.413 0.958 10 30 DCEERN CNC(=O)[C@H](C)CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156820244 529913396 /nfs/dbraw/zinc/91/33/96/529913396.db2.gz RRHWHYACJIDFBO-GFCCVEGCSA-N 0 0 323.418 0.646 10 30 DCEERN C=CCN1CCC(NS(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000171536826 186171253 /nfs/dbraw/zinc/17/12/53/186171253.db2.gz ZBFOQYVZKDQAFT-UHFFFAOYSA-N 0 0 323.418 0.714 10 30 DCEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCS1(=O)=O ZINC000172350521 198084650 /nfs/dbraw/zinc/08/46/50/198084650.db2.gz QQVKWROZBHZEPI-LLVKDONJSA-N 0 0 307.375 0.887 10 30 DCEERN N#Cc1nccn1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000179872476 199090211 /nfs/dbraw/zinc/09/02/11/199090211.db2.gz BRAHSWNFUSHSIK-UHFFFAOYSA-N 0 0 323.356 0.963 10 30 DCEERN CNC(=O)[C@@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000178072208 283393874 /nfs/dbraw/zinc/39/38/74/283393874.db2.gz QGYAYEYUQKDCPZ-LBPRGKRZSA-N 0 0 300.314 0.504 10 30 DCEERN N#CCN(CC#N)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000162022110 237105992 /nfs/dbraw/zinc/10/59/92/237105992.db2.gz GORMTFADVPGIKV-HNNXBMFYSA-N 0 0 310.357 0.953 10 30 DCEERN CCc1nn(C[C@@H](C)CS(C)(=O)=O)c(=O)c(C#N)c1CC ZINC000155595275 291220885 /nfs/dbraw/zinc/22/08/85/291220885.db2.gz XULJRZLULHCYMC-SNVBAGLBSA-N 0 0 311.407 0.920 10 30 DCEERN COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccccc1C#N ZINC000157158933 291227310 /nfs/dbraw/zinc/22/73/10/291227310.db2.gz HKCAMCIUEJMAEO-CQSZACIVSA-N 0 0 323.418 0.947 10 30 DCEERN N#C[C@H]1CN(CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000247583709 238162086 /nfs/dbraw/zinc/16/20/86/238162086.db2.gz ITLOVLKJWVLHCU-HNNXBMFYSA-N 0 0 314.389 0.390 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329742967 238654568 /nfs/dbraw/zinc/65/45/68/238654568.db2.gz PTTAVZBTDDHHTQ-APLVYKGISA-N 0 0 306.366 0.646 10 30 DCEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCCOCC2)nn1 ZINC000329672001 238648926 /nfs/dbraw/zinc/64/89/26/238648926.db2.gz UHODVXAMCTWHLS-CYZMBNFOSA-N 0 0 310.354 0.738 10 30 DCEERN COC[C@H](CO)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000357691387 239032701 /nfs/dbraw/zinc/03/27/01/239032701.db2.gz AKEWMWAQHQMWHC-HZMBPMFUSA-N 0 0 300.355 0.372 10 30 DCEERN CCn1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000363967138 239115299 /nfs/dbraw/zinc/11/52/99/239115299.db2.gz HKZWVJBVVQBJKL-CYBMUJFWSA-N 0 0 316.365 0.040 10 30 DCEERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCSC[C@H]1C#N ZINC000408336185 291390553 /nfs/dbraw/zinc/39/05/53/291390553.db2.gz MIXYLJUTYULGAJ-GMTAPVOTSA-N 0 0 318.420 0.599 10 30 DCEERN C=CCNc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000040598571 183108259 /nfs/dbraw/zinc/10/82/59/183108259.db2.gz QWQKRMQUVBULNU-UHFFFAOYSA-N 0 0 308.342 0.097 10 30 DCEERN N#Cc1cnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000106463730 194219278 /nfs/dbraw/zinc/21/92/78/194219278.db2.gz NSCZKJFWYCZTOD-GFCCVEGCSA-N 0 0 301.350 0.423 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000273420416 210759647 /nfs/dbraw/zinc/75/96/47/210759647.db2.gz MNAJOJSEOXEVMW-NSHDSACASA-N 0 0 302.334 0.565 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[S@](=O)CC[C@H]1C ZINC000367131948 285049066 /nfs/dbraw/zinc/04/90/66/285049066.db2.gz WNORWYXFRALVLT-HNYWDRBLSA-N 0 0 321.468 0.556 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000374743257 533144664 /nfs/dbraw/zinc/14/46/64/533144664.db2.gz HSOJZPUTBDVUTP-WDEREUQCSA-N 0 0 314.411 0.114 10 30 DCEERN Cc1cc(N(C)C)nc(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000328738199 291927622 /nfs/dbraw/zinc/92/76/22/291927622.db2.gz KRASCZOTUFCPKP-PHIMTYICSA-N 0 0 307.354 0.496 10 30 DCEERN COc1ncncc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000360718639 533294211 /nfs/dbraw/zinc/29/42/11/533294211.db2.gz DRQMFYMPSSTBIE-UHFFFAOYSA-N 0 0 303.322 0.576 10 30 DCEERN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000010850195 395686199 /nfs/dbraw/zinc/68/61/99/395686199.db2.gz PIDHUJRWKFDVIR-UHFFFAOYSA-N 0 0 312.329 0.849 10 30 DCEERN C#CCOC[C@@H](O)C[N+]1(CCCS(=O)(=O)[O-])CCCCC1 ZINC000003120698 395682253 /nfs/dbraw/zinc/68/22/53/395682253.db2.gz BQZHAYUOUQEDRX-AWEZNQCLSA-O 0 0 320.431 0.276 10 30 DCEERN CCC[C@@H](C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000092004465 395728362 /nfs/dbraw/zinc/72/83/62/395728362.db2.gz MNCJPQBPAXBBBX-NWDGAFQWSA-N 0 0 301.412 0.999 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000042541397 395746447 /nfs/dbraw/zinc/74/64/47/395746447.db2.gz GMEMUNCEQQNJCA-KBPBESRZSA-N 0 0 310.442 0.209 10 30 DCEERN COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000108400136 395788722 /nfs/dbraw/zinc/78/87/22/395788722.db2.gz CZYKPYCGVDJXMI-CYBMUJFWSA-N 0 0 324.406 0.342 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2sccc2C#N)CC1 ZINC000052034267 395858398 /nfs/dbraw/zinc/85/83/98/395858398.db2.gz XDBQZMRDRLQPEJ-UHFFFAOYSA-N 0 0 318.402 0.680 10 30 DCEERN C=CCc1cc(CNC(=O)CNC(N)=O)cc(OC)c1OC ZINC000051467787 395850638 /nfs/dbraw/zinc/85/06/38/395850638.db2.gz AKTBRBXJVOMRDO-UHFFFAOYSA-N 0 0 307.350 0.717 10 30 DCEERN Cc1cnn(CCNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000117987041 395857034 /nfs/dbraw/zinc/85/70/34/395857034.db2.gz OLZOPPCKZXFLOK-UHFFFAOYSA-N 0 0 311.345 0.609 10 30 DCEERN C=CCSCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000194544038 395799579 /nfs/dbraw/zinc/79/95/79/395799579.db2.gz DXBMDXSWQIHADM-UHFFFAOYSA-N 0 0 300.405 0.983 10 30 DCEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000234360079 395888196 /nfs/dbraw/zinc/88/81/96/395888196.db2.gz ONGUZCDEPWCGRQ-CYBMUJFWSA-N 0 0 307.375 0.766 10 30 DCEERN CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000123292843 395893391 /nfs/dbraw/zinc/89/33/91/395893391.db2.gz TWCAZWUWVYNGKP-CYBMUJFWSA-N 0 0 324.406 0.030 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000273557832 395929483 /nfs/dbraw/zinc/92/94/83/395929483.db2.gz HIQCQHUPLWTSDJ-WQAKAFBOSA-N 0 0 322.386 0.744 10 30 DCEERN C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCS1(=O)=O ZINC000123762908 395896507 /nfs/dbraw/zinc/89/65/07/395896507.db2.gz AZGFBDFZEHXOEK-NSHDSACASA-N 0 0 307.375 0.887 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1 ZINC000273391574 395917933 /nfs/dbraw/zinc/91/79/33/395917933.db2.gz DLTRUSOBZIYURA-NSHDSACASA-N 0 0 313.375 0.997 10 30 DCEERN C=CC[C@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000273596390 395932310 /nfs/dbraw/zinc/93/23/10/395932310.db2.gz QSNDMURZZWLQCI-LLVKDONJSA-N 0 0 308.290 0.839 10 30 DCEERN CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCC#N)C2=O ZINC000058787650 395956147 /nfs/dbraw/zinc/95/61/47/395956147.db2.gz WQVLWLURFHXVQM-UHFFFAOYSA-N 0 0 306.366 0.859 10 30 DCEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnnn1 ZINC000062889023 395973569 /nfs/dbraw/zinc/97/35/69/395973569.db2.gz CTYQQGUDNWOHLO-UHFFFAOYSA-N 0 0 302.294 0.796 10 30 DCEERN C=CCNC(=O)NC(=O)COc1cc(Cl)ccc1C(N)=O ZINC000062696250 395973755 /nfs/dbraw/zinc/97/37/55/395973755.db2.gz BWTXLOQVDOILGA-UHFFFAOYSA-N 0 0 311.725 0.830 10 30 DCEERN COc1cc(OC)c(OC)cc1C=NNC(=N)c1nonc1N ZINC000254523052 396032118 /nfs/dbraw/zinc/03/21/18/396032118.db2.gz YLHFVWYXMGJBNC-UHFFFAOYSA-N 0 0 320.309 0.417 10 30 DCEERN N#Cc1ccc(N2CCC[C@H](N3C[C@@H](O)C[C@@H]3CO)C2=O)cc1 ZINC000249360212 396006340 /nfs/dbraw/zinc/00/63/40/396006340.db2.gz SIAXJLBRHJOLCZ-PMPSAXMXSA-N 0 0 315.373 0.481 10 30 DCEERN N#C[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000171723826 396123777 /nfs/dbraw/zinc/12/37/77/396123777.db2.gz RMUQNLNIRXBWLF-NSHDSACASA-N 0 0 304.350 0.659 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000183180685 396264474 /nfs/dbraw/zinc/26/44/74/396264474.db2.gz IKLMNJLXBJVTIQ-JTQLQIEISA-N 0 0 306.366 0.766 10 30 DCEERN N#Cc1ccnc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000283148147 396312058 /nfs/dbraw/zinc/31/20/58/396312058.db2.gz FOJJJSJVRBZROW-CQSZACIVSA-N 0 0 314.345 0.417 10 30 DCEERN CN(CC1CC1)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185512916 396329521 /nfs/dbraw/zinc/32/95/21/396329521.db2.gz FWBZTHGWXNCHHQ-UHFFFAOYSA-N 0 0 324.344 0.946 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000287472329 396402715 /nfs/dbraw/zinc/40/27/15/396402715.db2.gz WYAQUBKFISFISF-LURJTMIESA-N 0 0 306.800 0.796 10 30 DCEERN CCN1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1=O ZINC000191513777 396420891 /nfs/dbraw/zinc/42/08/91/396420891.db2.gz FBXVFNRTFAWAGE-UHFFFAOYSA-N 0 0 320.736 0.798 10 30 DCEERN C=C(C)COCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764702 396509255 /nfs/dbraw/zinc/50/92/55/396509255.db2.gz 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/nfs/dbraw/zinc/59/27/77/396592777.db2.gz QQZIYTBHWAXYCW-ZDUSSCGKSA-N 0 0 321.377 0.622 10 30 DCEERN COC[C@@H](C)CNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586809966 396667042 /nfs/dbraw/zinc/66/70/42/396667042.db2.gz UXPGGOHELOWSMO-JTQLQIEISA-N 0 0 307.325 0.712 10 30 DCEERN CC(C)OCCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586861949 396669369 /nfs/dbraw/zinc/66/93/69/396669369.db2.gz FARYTRHMXAIBBM-UHFFFAOYSA-N 0 0 307.325 0.855 10 30 DCEERN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586864900 396669652 /nfs/dbraw/zinc/66/96/52/396669652.db2.gz PWIYWBWUJBLJAV-CQSZACIVSA-N 0 0 319.336 0.543 10 30 DCEERN N#Cc1ncn(CCNC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000588215086 396681468 /nfs/dbraw/zinc/68/14/68/396681468.db2.gz LOOATWJGTDWBGS-UHFFFAOYSA-N 0 0 313.296 0.660 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](NC(C)=O)C1 ZINC000624992968 396742218 /nfs/dbraw/zinc/74/22/18/396742218.db2.gz YHWZRKFXPXLEEN-CYBMUJFWSA-N 0 0 315.381 0.959 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H]2COC(C)(C)C2)C1=O ZINC000625180453 396796596 /nfs/dbraw/zinc/79/65/96/396796596.db2.gz MHEDJKKPYJUKEQ-RYUDHWBXSA-N 0 0 316.423 0.602 10 30 DCEERN C=CCn1cc(CN2C(=O)N[C@H](C[C@@H]3CCCOC3)C2=O)nn1 ZINC000629478121 396768198 /nfs/dbraw/zinc/76/81/98/396768198.db2.gz SPJKRZPYBCRKRA-WCQYABFASA-N 0 0 319.365 0.701 10 30 DCEERN C[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC(C)(C)O1 ZINC000329445125 396844677 /nfs/dbraw/zinc/84/46/77/396844677.db2.gz KTXXQYYCPRLMHH-GRYCIOLGSA-N 0 0 309.370 0.631 10 30 DCEERN C=CC[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000625355797 396844868 /nfs/dbraw/zinc/84/48/68/396844868.db2.gz VSZSRFKOZLRMBC-LBPRGKRZSA-N 0 0 324.468 0.496 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000625398341 396860608 /nfs/dbraw/zinc/86/06/08/396860608.db2.gz IRSXWPRWAFONSK-LBPRGKRZSA-N 0 0 324.425 0.612 10 30 DCEERN CS(=O)(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000611073685 396813646 /nfs/dbraw/zinc/81/36/46/396813646.db2.gz HUHBCKXFTAKHKS-AWEZNQCLSA-N 0 0 321.402 0.498 10 30 DCEERN C=CCN(CCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000625242319 396814084 /nfs/dbraw/zinc/81/40/84/396814084.db2.gz FFPZHSIPIMQDLW-CYBMUJFWSA-N 0 0 303.424 0.857 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629918912 396883961 /nfs/dbraw/zinc/88/39/61/396883961.db2.gz FGZWRJJXXVKOFN-KGLIPLIRSA-N 0 0 307.394 0.727 10 30 DCEERN C=CCOCCNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000591178792 396884786 /nfs/dbraw/zinc/88/47/86/396884786.db2.gz WNQCPTMPZBTBKS-LLVKDONJSA-N 0 0 302.396 0.737 10 30 DCEERN C=CCSCCNC(=O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000597218623 396915949 /nfs/dbraw/zinc/91/59/49/396915949.db2.gz PYTCHQFHMFJLTL-VHSXEESVSA-N 0 0 309.395 0.436 10 30 DCEERN C=CCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)CC1 ZINC000591613343 396943448 /nfs/dbraw/zinc/94/34/48/396943448.db2.gz OEQQLDWBDIDLNE-LBPRGKRZSA-N 0 0 310.423 0.927 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000625615297 396950810 /nfs/dbraw/zinc/95/08/10/396950810.db2.gz VZFWQBIKOXGODX-STQMWFEESA-N 0 0 312.410 0.703 10 30 DCEERN Cn1cc(CNS(=O)(=O)c2cccc(Cl)c2C#N)nn1 ZINC000611935484 396951224 /nfs/dbraw/zinc/95/12/24/396951224.db2.gz UABZHIDBLZKAQB-UHFFFAOYSA-N 0 0 311.754 0.819 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000612003504 396978647 /nfs/dbraw/zinc/97/86/47/396978647.db2.gz JLJSTWVQJBHFLC-RVSPLBMKSA-N 0 0 322.405 0.457 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000612004108 396978804 /nfs/dbraw/zinc/97/88/04/396978804.db2.gz SFFCUWYCYXBTAJ-GARJFASQSA-N 0 0 318.320 0.234 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCOC)C(=O)OC ZINC000597671798 397053129 /nfs/dbraw/zinc/05/31/29/397053129.db2.gz PROBQCGPXDMPIX-NEPJUHHUSA-N 0 0 300.355 0.152 10 30 DCEERN N#Cc1ccc(CNC(=O)N2CCS(=O)(=O)CC2)c(F)c1 ZINC000618991908 397054078 /nfs/dbraw/zinc/05/40/78/397054078.db2.gz TUXSSGUXNHGVDS-UHFFFAOYSA-N 0 0 311.338 0.637 10 30 DCEERN C=CCOCCNS(=O)(=O)c1cc(C(=O)OCC)n(C)c1 ZINC000612798957 397138676 /nfs/dbraw/zinc/13/86/76/397138676.db2.gz NSLWDNDYITYWID-UHFFFAOYSA-N 0 0 316.379 0.683 10 30 DCEERN C=CCn1cc(C(=O)N2CCC[C@]2(COC)C(=O)OC)nn1 ZINC000597963384 397140312 /nfs/dbraw/zinc/14/03/12/397140312.db2.gz ICJMWYJVEOQHQO-AWEZNQCLSA-N 0 0 308.338 0.258 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CC)CNS(C)(=O)=O)C1=O ZINC000630981780 397151393 /nfs/dbraw/zinc/15/13/93/397151393.db2.gz GZPUBECLQOCQSH-UWVGGRQHSA-N 0 0 303.384 0.201 10 30 DCEERN CCOC(=O)CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CC1 ZINC000619589469 397154258 /nfs/dbraw/zinc/15/42/58/397154258.db2.gz WJTPLVBDZZBKAD-SNVBAGLBSA-N 0 0 305.338 0.655 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)N(CC)CCC#N)C(=O)OC ZINC000601501957 397154948 /nfs/dbraw/zinc/15/49/48/397154948.db2.gz QXETZGOUDDABLK-NSHDSACASA-N 0 0 303.384 0.564 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)OC ZINC000601502646 397155026 /nfs/dbraw/zinc/15/50/26/397155026.db2.gz RZMSGBIKSVYRNI-LLVKDONJSA-N 0 0 314.363 0.876 10 30 DCEERN C[C@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)n1cnc(C#N)n1 ZINC000619600089 397156492 /nfs/dbraw/zinc/15/64/92/397156492.db2.gz ADZCZXMNKPZNEH-ABAIWWIYSA-N 0 0 319.365 0.507 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000612907186 397159552 /nfs/dbraw/zinc/15/95/52/397159552.db2.gz OJRSURJJQATZKX-HNNXBMFYSA-N 0 0 319.409 0.988 10 30 DCEERN N#Cc1ccsc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000377896325 397160832 /nfs/dbraw/zinc/16/08/32/397160832.db2.gz AFCKUXXZJTZPGK-LKFCYVNXSA-N 0 0 318.358 0.728 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)OC ZINC000601541138 397172039 /nfs/dbraw/zinc/17/20/39/397172039.db2.gz HYVUXMIBAMQXKE-WCQYABFASA-N 0 0 321.377 0.939 10 30 DCEERN C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1S(C)(=O)=O ZINC000598215783 397190126 /nfs/dbraw/zinc/19/01/26/397190126.db2.gz LSWOQXLNGJZKLH-GFCCVEGCSA-N 0 0 321.402 0.593 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)nn1 ZINC000592622153 397226544 /nfs/dbraw/zinc/22/65/44/397226544.db2.gz HSGIWGZBSVAJJX-NWDGAFQWSA-N 0 0 322.365 0.647 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)OC ZINC000601785605 397244468 /nfs/dbraw/zinc/24/44/68/397244468.db2.gz LVPILUVBGVZKRC-VHSXEESVSA-N 0 0 312.395 0.920 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)OC ZINC000601786840 397245773 /nfs/dbraw/zinc/24/57/73/397245773.db2.gz TWJFHRVFNWQZMB-LBPRGKRZSA-N 0 0 315.333 0.900 10 30 DCEERN COC[C@](C)(CO)NC(=O)COc1ccc(C#N)cc1OC ZINC000613534304 397274584 /nfs/dbraw/zinc/27/45/84/397274584.db2.gz LONLZCQCEUUFHT-HNNXBMFYSA-N 0 0 308.334 0.459 10 30 DCEERN Cc1cc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)ccc1C#N ZINC000365530812 397291678 /nfs/dbraw/zinc/29/16/78/397291678.db2.gz BBJCJPJGAOJICZ-AWEZNQCLSA-N 0 0 321.402 0.572 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000387397860 397295151 /nfs/dbraw/zinc/29/51/51/397295151.db2.gz DMLJKOXWSUDDLP-SNVBAGLBSA-N 0 0 308.363 0.148 10 30 DCEERN C=CCSCCNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000602088176 397297401 /nfs/dbraw/zinc/29/74/01/397297401.db2.gz MYPRCPYCCYCKHE-RYUDHWBXSA-N 0 0 308.407 0.452 10 30 DCEERN C=CCC[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)OCC ZINC000592804307 397255775 /nfs/dbraw/zinc/25/57/75/397255775.db2.gz YGFHXAKAEOAEKI-GHMZBOCLSA-N 0 0 318.395 0.034 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000614009557 397360677 /nfs/dbraw/zinc/36/06/77/397360677.db2.gz PUERQNFKVYOIBE-DGCLKSJQSA-N 0 0 316.423 0.493 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCS(=O)CC1 ZINC000599238593 397371724 /nfs/dbraw/zinc/37/17/24/397371724.db2.gz IIRAZFPJEYKDJE-UHFFFAOYSA-N 0 0 306.395 0.813 10 30 DCEERN C=CCOC[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC ZINC000578388935 397430747 /nfs/dbraw/zinc/43/07/47/397430747.db2.gz IZDDWQGYHWZCMP-CQSZACIVSA-N 0 0 302.330 0.961 10 30 DCEERN O=C(C#Cc1ccccc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000369991495 397446832 /nfs/dbraw/zinc/44/68/32/397446832.db2.gz RRGDWKBBLUTDMF-INIZCTEOSA-N 0 0 312.369 0.934 10 30 DCEERN C=CC[C@H](CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593574838 397397759 /nfs/dbraw/zinc/39/77/59/397397759.db2.gz YZKOKAATLIKXIL-VIFPVBQESA-N 0 0 301.324 0.453 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000614260049 397408026 /nfs/dbraw/zinc/40/80/26/397408026.db2.gz SPBFVWGYLVMOAD-LLVKDONJSA-N 0 0 302.396 0.151 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c(Cl)c1 ZINC000599494330 397458636 /nfs/dbraw/zinc/45/86/36/397458636.db2.gz YHJZQYBPALXFOT-QWRGUYRKSA-N 0 0 316.766 0.640 10 30 DCEERN C=CCNC(=O)[C@H](C)n1cc(CNCC(=O)OC(C)(C)C)nn1 ZINC000603185654 397581565 /nfs/dbraw/zinc/58/15/65/397581565.db2.gz LCRLCDPGKBYWQV-NSHDSACASA-N 0 0 323.397 0.573 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000579733704 397591603 /nfs/dbraw/zinc/59/16/03/397591603.db2.gz GKPMQCFLUDWCAU-QMMMGPOBSA-N 0 0 309.338 0.881 10 30 DCEERN CN(C(=O)Cn1cnc2c(cnn2C)c1=O)C1(C#N)CCC1 ZINC000604465535 397640279 /nfs/dbraw/zinc/64/02/79/397640279.db2.gz BRGHTKFDNSCAAW-UHFFFAOYSA-N 0 0 300.322 0.035 10 30 DCEERN CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000610520010 397828655 /nfs/dbraw/zinc/82/86/55/397828655.db2.gz YXQGWHFIKUXUJP-AWEZNQCLSA-N 0 0 321.402 0.641 10 30 DCEERN C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[S@@](C)=O ZINC000124112719 158237952 /nfs/dbraw/zinc/23/79/52/158237952.db2.gz IGDPVYLPKJENMO-LZVRBXCZSA-N 0 0 301.393 0.389 10 30 DCEERN COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C#N)cn1C)CC2 ZINC000135156500 158333694 /nfs/dbraw/zinc/33/36/94/158333694.db2.gz LYIQYPCDVJWAAG-NSHDSACASA-N 0 0 314.349 0.379 10 30 DCEERN CN(C)C(=O)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184638842 158510308 /nfs/dbraw/zinc/51/03/08/158510308.db2.gz RFTMKZJRXBFBEO-UHFFFAOYSA-N 0 0 313.321 0.349 10 30 DCEERN Cc1nn([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000408010964 160010431 /nfs/dbraw/zinc/01/04/31/160010431.db2.gz YTEITDIVNFWTNF-PWSUYJOCSA-N 0 0 310.379 0.270 10 30 DCEERN N#Cc1ccncc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408034586 160017377 /nfs/dbraw/zinc/01/73/77/160017377.db2.gz GIOKXGZWLOAEHX-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN Cc1cccc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1C#N ZINC000408258122 160070700 /nfs/dbraw/zinc/07/07/00/160070700.db2.gz UZFDNHLYFQDAFU-UHFFFAOYSA-N 0 0 319.346 0.368 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC000408261258 160071327 /nfs/dbraw/zinc/07/13/27/160071327.db2.gz MYZDYCDGOSDFDK-UPJWGTAASA-N 0 0 303.366 0.692 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1C#N ZINC000408362325 160092550 /nfs/dbraw/zinc/09/25/50/160092550.db2.gz NKUZDRYGAATREL-UHFFFAOYSA-N 0 0 308.363 0.161 10 30 DCEERN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352551539 415222279 /nfs/dbraw/zinc/22/22/79/415222279.db2.gz YPYBEEBJWIAZMR-VXGBXAGGSA-N 0 0 303.428 0.033 10 30 DCEERN CN1C(=O)C[C@H](C(=O)N=C2NCCS2)[C@@H]1c1cccnc1 ZINC000074395208 415429316 /nfs/dbraw/zinc/42/93/16/415429316.db2.gz PYHPTUQBUAUXJQ-JQWIXIFHSA-N 0 0 304.375 0.820 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)N(CCC#N)CC1CC1)c2=O ZINC000103438062 415616313 /nfs/dbraw/zinc/61/63/13/415616313.db2.gz NDSGFHUFHPDHAL-UHFFFAOYSA-N 0 0 314.349 0.282 10 30 DCEERN N#Cc1ccc(OCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000105569266 415630669 /nfs/dbraw/zinc/63/06/69/415630669.db2.gz VXQGNXKZIDVDEB-OAHLLOKOSA-N 0 0 315.373 0.870 10 30 DCEERN C#CCNC(=O)[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893594 415638163 /nfs/dbraw/zinc/63/81/63/415638163.db2.gz NIXXKLXJOLXAIO-LSDHHAIUSA-N 0 0 304.394 0.339 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000284556402 415595999 /nfs/dbraw/zinc/59/59/99/415595999.db2.gz VJMUIUJALVSTCJ-UHFFFAOYSA-N 0 0 311.426 0.638 10 30 DCEERN CC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000102351673 415598988 /nfs/dbraw/zinc/59/89/88/415598988.db2.gz VXYAENFBFWXOKM-VHSXEESVSA-N 0 0 313.354 0.911 10 30 DCEERN CN(CC(=O)N[C@H](C#N)C1CC1)S(=O)(=O)c1ccccc1 ZINC000108830971 415683815 /nfs/dbraw/zinc/68/38/15/415683815.db2.gz IZDXCWVBQAQTGD-CYBMUJFWSA-N 0 0 307.375 0.725 10 30 DCEERN C#CCC(CC#C)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000289175894 415702712 /nfs/dbraw/zinc/70/27/12/415702712.db2.gz QSOWIKBQWZNODR-UHFFFAOYSA-N 0 0 314.389 0.817 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@H](COC)C2CC2)CC1 ZINC000119930586 415753133 /nfs/dbraw/zinc/75/31/33/415753133.db2.gz ULLFTCWJJOYDTG-CQSZACIVSA-N 0 0 324.425 0.041 10 30 DCEERN C[C@H](CNS(=O)(=O)c1ccccc1C#N)N1CCOCC1 ZINC000122315214 415833906 /nfs/dbraw/zinc/83/39/06/415833906.db2.gz CYLSRLBCXGZSGR-GFCCVEGCSA-N 0 0 309.391 0.557 10 30 DCEERN Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)sc2nccn12 ZINC000294564938 415873386 /nfs/dbraw/zinc/87/33/86/415873386.db2.gz VLPSCVNGYICVQS-UHFFFAOYSA-N 0 0 317.374 0.902 10 30 DCEERN Cc1cc(S(=O)(=O)N2CC(N3CCNC3=O)C2)ccc1C#N ZINC000296090798 415907646 /nfs/dbraw/zinc/90/76/46/415907646.db2.gz QOIBHHXNPXNXHG-UHFFFAOYSA-N 0 0 320.374 0.265 10 30 DCEERN C#Cc1ccc(CNC(=O)C2=C(C)OCCS2(=O)=O)cc1 ZINC000296506178 415930756 /nfs/dbraw/zinc/93/07/56/415930756.db2.gz 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416125087 /nfs/dbraw/zinc/12/50/87/416125087.db2.gz JDCYCROZZMBQPI-KBPBESRZSA-N 0 0 322.409 0.606 10 30 DCEERN CS[C@H](C)CNC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328654977 416125991 /nfs/dbraw/zinc/12/59/91/416125991.db2.gz XXDRIVWBFIHQAI-GHMZBOCLSA-N 0 0 318.443 0.820 10 30 DCEERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[C@@H]1CCCCO1 ZINC000328676215 416126844 /nfs/dbraw/zinc/12/68/44/416126844.db2.gz RMZAKPROGJJERK-RYUDHWBXSA-N 0 0 319.427 0.613 10 30 DCEERN CC(C)N1C[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1=O ZINC000328874995 416136513 /nfs/dbraw/zinc/13/65/13/416136513.db2.gz JPEXFKQLDIUSCY-MCIONIFRSA-N 0 0 324.425 0.315 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)s1 ZINC000338874075 416148355 /nfs/dbraw/zinc/14/83/55/416148355.db2.gz MVJSVOZGPTYHMO-NSHDSACASA-N 0 0 321.402 1.561 10 30 DCEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O ZINC000329132506 416152535 /nfs/dbraw/zinc/15/25/35/416152535.db2.gz YKRBNYJITOOLAT-GHMZBOCLSA-N 0 0 318.395 0.158 10 30 DCEERN C[C@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)n1cncn1 ZINC000329160819 416153862 /nfs/dbraw/zinc/15/38/62/416153862.db2.gz DZGVJVKZQPLRKL-LLVKDONJSA-N 0 0 313.427 0.639 10 30 DCEERN CC[C@]1(CO)CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329391138 416166402 /nfs/dbraw/zinc/16/64/02/416166402.db2.gz SPZDZHQXCSPEEX-OUCADQQQSA-N 0 0 309.370 0.369 10 30 DCEERN Cc1noc(CC[NH+]=C([O-])N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000329428462 416169994 /nfs/dbraw/zinc/16/99/94/416169994.db2.gz HQCWJFRVAPOHNT-LBPRGKRZSA-N 0 0 320.353 0.432 10 30 DCEERN COC1(C)CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329509969 416173134 /nfs/dbraw/zinc/17/31/34/416173134.db2.gz XGZDWVLKRGQYAL-NWDGAFQWSA-N 0 0 309.370 0.633 10 30 DCEERN CC#CCCNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000340319990 416184375 /nfs/dbraw/zinc/18/43/75/416184375.db2.gz VFISZOPPDRCECW-UHFFFAOYSA-N 0 0 311.345 0.795 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc[nH]n2)cn1 ZINC000180932102 416203128 /nfs/dbraw/zinc/20/31/28/416203128.db2.gz 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416162112 /nfs/dbraw/zinc/16/21/12/416162112.db2.gz VRYIOTGXBFVLCS-WDEREUQCSA-N 0 0 316.369 0.011 10 30 DCEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000178516809 416164597 /nfs/dbraw/zinc/16/45/97/416164597.db2.gz DPPLUPCVOJNGPQ-GFCCVEGCSA-N 0 0 324.344 0.528 10 30 DCEERN C=CCCOCCNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000339815760 416165052 /nfs/dbraw/zinc/16/50/52/416165052.db2.gz WVOOCQZLIHVUMV-UHFFFAOYSA-N 0 0 307.354 0.190 10 30 DCEERN COCC1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329367272 416166027 /nfs/dbraw/zinc/16/60/27/416166027.db2.gz HIKWRDOXOKBTLU-QWHCGFSZSA-N 0 0 309.370 0.490 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCOC[C@H]1OCCOC ZINC000350386727 416267029 /nfs/dbraw/zinc/26/70/29/416267029.db2.gz COOQJXNAPWLPLJ-JHJVBQTASA-N 0 0 302.371 0.043 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000190711510 416280904 /nfs/dbraw/zinc/28/09/04/416280904.db2.gz PFYIPUBEIUKTIK-KFWWJZLASA-N 0 0 322.405 0.481 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)cnc2N)C1=O ZINC000351977607 416284907 /nfs/dbraw/zinc/28/49/07/416284907.db2.gz WRORWCPHGGCUGK-NSHDSACASA-N 0 0 324.406 0.380 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000342192110 416291853 /nfs/dbraw/zinc/29/18/53/416291853.db2.gz JNPVVUKBAGOUGO-GFCCVEGCSA-N 0 0 318.377 0.668 10 30 DCEERN C=C(C)C[C@H](C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000342198434 416293223 /nfs/dbraw/zinc/29/32/23/416293223.db2.gz YGRCDKOLJFIRDW-RYUDHWBXSA-N 0 0 316.423 0.398 10 30 DCEERN CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000360244747 416382154 /nfs/dbraw/zinc/38/21/54/416382154.db2.gz GDDKTNNIJFTNGH-GHMZBOCLSA-N 0 0 305.338 0.655 10 30 DCEERN CN(CCC#N)S(=O)(=O)NCCCc1nnc2ccccn21 ZINC000360513588 416394245 /nfs/dbraw/zinc/39/42/45/416394245.db2.gz XHLPGWKQXMWSHN-UHFFFAOYSA-N 0 0 322.394 0.342 10 30 DCEERN C=CCCn1cc(C[S@](=O)CC(=O)Nc2cc(C)on2)nn1 ZINC000593939844 416550281 /nfs/dbraw/zinc/55/02/81/416550281.db2.gz LPVBLXLJQNWKGY-JOCHJYFZSA-N 0 0 323.378 1.038 10 30 DCEERN C=CCN(C)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000459896588 416550647 /nfs/dbraw/zinc/55/06/47/416550647.db2.gz BAWJGSONNWMWJF-UHFFFAOYSA-N 0 0 313.361 0.246 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000487136687 416555234 /nfs/dbraw/zinc/55/52/34/416555234.db2.gz YNBOMXJDSFRKSY-MNOVXSKESA-N 0 0 317.345 0.744 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000365701144 416606357 /nfs/dbraw/zinc/60/63/57/416606357.db2.gz BLZVWUZXAQLECZ-CYBMUJFWSA-N 0 0 317.455 0.929 10 30 DCEERN CC(=O)N1CCN(CCNc2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601104094 416621612 /nfs/dbraw/zinc/62/16/12/416621612.db2.gz PBSUTLYIEAYZBI-UHFFFAOYSA-N 0 0 314.393 0.802 10 30 DCEERN C[C@@H](C(=O)NC[C@H](CO)Cc1ccco1)n1cnc(C#N)n1 ZINC000545259181 416668697 /nfs/dbraw/zinc/66/86/97/416668697.db2.gz MCKNLCNNIXHXJP-WDEREUQCSA-N 0 0 303.322 0.271 10 30 DCEERN N#Cc1ccsc1NC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000368814866 416696297 /nfs/dbraw/zinc/69/62/97/416696297.db2.gz 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ZINC000616122028 416967409 /nfs/dbraw/zinc/96/74/09/416967409.db2.gz AHSBHSSOZBOOOX-KBPBESRZSA-N 0 0 324.425 0.720 10 30 DCEERN C=C(C)CCNC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000624152894 416968519 /nfs/dbraw/zinc/96/85/19/416968519.db2.gz NGMWNAIIBDZVBE-GFCCVEGCSA-N 0 0 303.428 0.923 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(OC)n(C)n2)C1=O ZINC000565637178 417000173 /nfs/dbraw/zinc/00/01/73/417000173.db2.gz LYLNAWMRUWGOEL-SNVBAGLBSA-N 0 0 307.354 0.679 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000616277108 417004733 /nfs/dbraw/zinc/00/47/33/417004733.db2.gz WEIPEBWBQNJFKR-LBPRGKRZSA-N 0 0 318.439 0.787 10 30 DCEERN C=CCn1cc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)nn1 ZINC000566142022 417041136 /nfs/dbraw/zinc/04/11/36/417041136.db2.gz UBOZORQJVDOPRP-QWRGUYRKSA-N 0 0 306.370 0.307 10 30 DCEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000624465639 417041345 /nfs/dbraw/zinc/04/13/45/417041345.db2.gz YNFPUMAFVDZSMA-LLVKDONJSA-N 0 0 303.428 0.922 10 30 DCEERN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000567123529 417056574 /nfs/dbraw/zinc/05/65/74/417056574.db2.gz LCOPTRPDOJNLIO-LLVKDONJSA-N 0 0 304.412 0.398 10 30 DCEERN C=CCCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000448374790 417072145 /nfs/dbraw/zinc/07/21/45/417072145.db2.gz LUWJKQUTSXANBN-UHFFFAOYSA-N 0 0 318.312 0.822 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H](CO)CC=C ZINC000632447787 417094557 /nfs/dbraw/zinc/09/45/57/417094557.db2.gz UXZALYUNJVAXOJ-XJFOESAGSA-N 0 0 310.394 0.119 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC000632500857 417132149 /nfs/dbraw/zinc/13/21/49/417132149.db2.gz FIEAVIBVAWIFAF-QWHCGFSZSA-N 0 0 302.440 0.981 10 30 DCEERN C=C[C@@H](O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000617166494 417178091 /nfs/dbraw/zinc/17/80/91/417178091.db2.gz PDRGYLDMZQTCPZ-CYBMUJFWSA-N 0 0 310.375 0.708 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000632595533 417185590 /nfs/dbraw/zinc/18/55/90/417185590.db2.gz KXGFEMGYWASXSG-OLZOCXBDSA-N 0 0 314.426 0.685 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000632616703 417194451 /nfs/dbraw/zinc/19/44/51/417194451.db2.gz IGWCHCBVJMWWFE-STQMWFEESA-N 0 0 312.410 0.703 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000632645177 417211974 /nfs/dbraw/zinc/21/19/74/417211974.db2.gz URSXVAUVWGZOPY-OLZOCXBDSA-N 0 0 312.410 0.703 10 30 DCEERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000450784019 417270491 /nfs/dbraw/zinc/27/04/91/417270491.db2.gz GJVMYETYLGIJHA-UHFFFAOYSA-N 0 0 318.377 0.904 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)C2(N3CCOCC3)CC2)C1=O ZINC000632850864 417279812 /nfs/dbraw/zinc/27/98/12/417279812.db2.gz WWTUEBUIUVSRAT-ZDUSSCGKSA-N 0 0 307.394 0.097 10 30 DCEERN C=CC(C)(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000451756114 417393824 /nfs/dbraw/zinc/39/38/24/417393824.db2.gz LSKMVQYJBJWMOH-LLVKDONJSA-N 0 0 303.428 0.586 10 30 DCEERN CCOC(=O)[C@@H]1CN(C(=O)c2cnccc2C#N)CC12COC2 ZINC000452619102 417492432 /nfs/dbraw/zinc/49/24/32/417492432.db2.gz WNJYWCVWMRAUBJ-ZDUSSCGKSA-N 0 0 315.329 0.605 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000574081671 417478187 /nfs/dbraw/zinc/47/81/87/417478187.db2.gz NFCDQLZXHLSANX-JTQLQIEISA-N 0 0 319.317 0.009 10 30 DCEERN C=CC(C)(C)CNC(=O)C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000453881942 417535188 /nfs/dbraw/zinc/53/51/88/417535188.db2.gz PWYKKAKKFLUWDD-UHFFFAOYSA-N 0 0 322.365 0.864 10 30 DCEERN CN(C)C(=O)COC1CN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000530746612 417588512 /nfs/dbraw/zinc/58/85/12/417588512.db2.gz JARHTLULTAGLOY-UHFFFAOYSA-N 0 0 301.346 0.416 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000455084227 417591514 /nfs/dbraw/zinc/59/15/14/417591514.db2.gz NWILYDWQCZMKEB-NEPJUHHUSA-N 0 0 322.365 1.452 10 30 DCEERN C=CCN(C(=O)Cc1nc(CC)c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000635402793 417651329 /nfs/dbraw/zinc/65/13/29/417651329.db2.gz VKMXFPAHJLKHTI-GFCCVEGCSA-N 0 0 311.407 0.716 10 30 DCEERN C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000631356500 417861057 /nfs/dbraw/zinc/86/10/57/417861057.db2.gz WGLRGDRIAUOJMP-AWEZNQCLSA-N 0 0 321.421 0.392 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000187275117 261123035 /nfs/dbraw/zinc/12/30/35/261123035.db2.gz NRAQLGIQRSFXRH-UHFFFAOYSA-N 0 0 307.375 0.488 10 30 DCEERN CC(=O)NC1CN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000190215927 261134286 /nfs/dbraw/zinc/13/42/86/261134286.db2.gz FSXNXYXEZJOHIL-UHFFFAOYSA-N 0 0 302.334 0.467 10 30 DCEERN N#Cc1ncn(CC(=O)N[C@@H]2COc3ccc(F)cc3C2)n1 ZINC000426356610 262552190 /nfs/dbraw/zinc/55/21/90/262552190.db2.gz LPHAIOHLGOZPQD-NSHDSACASA-N 0 0 301.281 0.409 10 30 DCEERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC12COC2 ZINC000452222239 267133744 /nfs/dbraw/zinc/13/37/44/267133744.db2.gz MKHVJTAXXIRGSL-GFCCVEGCSA-N 0 0 317.345 0.548 10 30 DCEERN COC(=O)CN(CC(=O)OC)C(=O)Cc1cccc(C#N)c1 ZINC000530674034 267363135 /nfs/dbraw/zinc/36/31/35/267363135.db2.gz NQUMFCOPHBCANC-UHFFFAOYSA-N 0 0 304.302 0.275 10 30 DCEERN C#CCCCS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000367777994 277672622 /nfs/dbraw/zinc/67/26/22/277672622.db2.gz JAPMYSALYBMEGU-HNNXBMFYSA-N 0 0 314.451 0.916 10 30 DCEERN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000343197174 277909468 /nfs/dbraw/zinc/90/94/68/277909468.db2.gz PBFCYCIGZGKGSV-WCQYABFASA-N 0 0 304.412 0.244 10 30 DCEERN C=C[C@H](C)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000357855374 277909934 /nfs/dbraw/zinc/90/99/34/277909934.db2.gz DCWQKRFEQZBQTB-NSHDSACASA-N 0 0 304.416 0.085 10 30 DCEERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000281866891 278349754 /nfs/dbraw/zinc/34/97/54/278349754.db2.gz CIPHZPRECXUAGX-UHFFFAOYSA-N 0 0 311.338 0.596 10 30 DCEERN N#Cc1cnccc1NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000547826666 288083089 /nfs/dbraw/zinc/08/30/89/288083089.db2.gz BUWKFHRFQIJMDX-CYBMUJFWSA-N 0 0 324.406 0.276 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000425561897 335090645 /nfs/dbraw/zinc/09/06/45/335090645.db2.gz DLLVOKRNWRWRDJ-SRVKXCTJSA-N 0 0 304.412 0.652 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000282160274 301074502 /nfs/dbraw/zinc/07/45/02/301074502.db2.gz XSKKEZHLAILHCR-UHFFFAOYSA-N 0 0 307.375 0.766 10 30 DCEERN N#CC1CCC(CNC(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000441002546 303147257 /nfs/dbraw/zinc/14/72/57/303147257.db2.gz KPEDGAGZIXGMCK-UHFFFAOYSA-N 0 0 322.409 0.864 10 30 DCEERN N#C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C1CC1 ZINC000364990176 303169132 /nfs/dbraw/zinc/16/91/32/303169132.db2.gz URMDAXVNVINOIZ-NSHDSACASA-N 0 0 315.333 0.989 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000518366903 332018379 /nfs/dbraw/zinc/01/83/79/332018379.db2.gz JOCXRFYQKXGIGX-KBPBESRZSA-N 0 0 317.393 0.899 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000569392808 332072918 /nfs/dbraw/zinc/07/29/18/332072918.db2.gz ZSGFQCOSDCPLOP-CYBMUJFWSA-N 0 0 320.345 0.855 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000583377753 332374267 /nfs/dbraw/zinc/37/42/67/332374267.db2.gz JLJWJSBQLUVNGD-MJBXVCDLSA-N 0 0 311.382 0.124 10 30 DCEERN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000408327228 332473293 /nfs/dbraw/zinc/47/32/93/332473293.db2.gz ANUDQJCJPIREIM-AGIUHOORSA-N 0 0 313.423 0.857 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)OC)cc2C1=O ZINC000340622935 334254240 /nfs/dbraw/zinc/25/42/40/334254240.db2.gz AHVFXXXPQFVLIM-UHFFFAOYSA-N 0 0 316.313 0.714 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)NCCc1c(C)nn(C)c1C ZINC000340713675 334384076 /nfs/dbraw/zinc/38/40/76/334384076.db2.gz QKBKDKVQSYOAQK-UHFFFAOYSA-N 0 0 322.409 0.357 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)OC ZINC000424842648 334743719 /nfs/dbraw/zinc/74/37/19/334743719.db2.gz UJJRNISVUQCUSA-LLVKDONJSA-N 0 0 322.317 0.327 10 30 DCEERN COCC(=O)N1CCN(C(=O)NCc2cccc(OC)n2)CC1 ZINC000330482817 334784041 /nfs/dbraw/zinc/78/40/41/334784041.db2.gz SOBYLZVDAMSBLW-UHFFFAOYSA-N 0 0 322.365 0.295 10 30 DCEERN Cc1noc(CNC(=O)N2CCN(Cc3ccon3)CC2)n1 ZINC000329795275 336082568 /nfs/dbraw/zinc/08/25/68/336082568.db2.gz CTAWUYPHOVOXCB-UHFFFAOYSA-N 0 0 306.326 0.598 10 30 DCEERN CCC(=O)N1CC[C@H](NC(=O)N2CCc3cncnc3C2)C1 ZINC000330008109 336105482 /nfs/dbraw/zinc/10/54/82/336105482.db2.gz FDRLPEDCOYPBQO-LBPRGKRZSA-N 0 0 303.366 0.760 10 30 DCEERN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](C2CC2)C1 ZINC000330131734 336116539 /nfs/dbraw/zinc/11/65/39/336116539.db2.gz LBXQDEHDCWXECK-RTXFEEFZSA-N 0 0 316.423 0.629 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC000330221467 336126118 /nfs/dbraw/zinc/12/61/18/336126118.db2.gz RBXOBLMAUJPNHD-OUCADQQQSA-N 0 0 308.382 0.785 10 30 DCEERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000330250173 336129942 /nfs/dbraw/zinc/12/99/42/336129942.db2.gz GRNUFXPSBOHTLF-RKDXNWHRSA-N 0 0 309.288 0.784 10 30 DCEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000330257296 336130539 /nfs/dbraw/zinc/13/05/39/336130539.db2.gz LIAMGOHCTMHVRJ-IJLUTSLNSA-N 0 0 319.427 0.434 10 30 DCEERN Cc1cc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000187173358 337263438 /nfs/dbraw/zinc/26/34/38/337263438.db2.gz XIGJFAMQKUZLPV-MRXNPFEDSA-N 0 0 318.425 0.895 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000584587167 337369756 /nfs/dbraw/zinc/36/97/56/337369756.db2.gz PJNRLRNIMWDVDW-ZFWWWQNUSA-N 0 0 319.409 0.843 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCc1cnn(C)c1 ZINC000425890498 338018387 /nfs/dbraw/zinc/01/83/87/338018387.db2.gz WOWNVZSGAWRQLS-KBPBESRZSA-N 0 0 320.393 0.176 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000425909249 338018808 /nfs/dbraw/zinc/01/88/08/338018808.db2.gz NHHAPSJBNBRZPK-AGIUHOORSA-N 0 0 310.394 0.768 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ncnn2C(C)C)CC1 ZINC000434535148 338219679 /nfs/dbraw/zinc/21/96/79/338219679.db2.gz LXQZRFPKASQEEY-UHFFFAOYSA-N 0 0 306.414 0.279 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000452230466 338759739 /nfs/dbraw/zinc/75/97/39/338759739.db2.gz 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/nfs/dbraw/zinc/14/16/35/341141635.db2.gz WRIJMNPDDXGSDA-UHFFFAOYSA-N 0 0 316.365 0.633 10 30 DCEERN C[C@H]1CN(S(=O)(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000246283917 341339980 /nfs/dbraw/zinc/33/99/80/341339980.db2.gz VTODTCQWHWSJEO-RYUDHWBXSA-N 0 0 300.384 0.470 10 30 DCEERN Cc1c(C(=O)N2CCOC[C@H]2C#N)cccc1N1CCNC1=O ZINC000175905456 533757239 /nfs/dbraw/zinc/75/72/39/533757239.db2.gz VYODHVXHLBQILQ-GFCCVEGCSA-N 0 0 314.345 0.889 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000372580556 534290393 /nfs/dbraw/zinc/29/03/93/534290393.db2.gz CEPWOVRPONBKSK-OLZOCXBDSA-N 0 0 300.428 0.493 10 30 DCEERN CC1(C)C(=O)NCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156756973 520241869 /nfs/dbraw/zinc/24/18/69/520241869.db2.gz KKLZXVOTCCMSFY-UHFFFAOYSA-N 0 0 321.402 0.542 10 30 DCEERN C=CCC1(C(=O)N[C@H](CC)CNS(C)(=O)=O)CCOCC1 ZINC000424863133 534591313 /nfs/dbraw/zinc/59/13/13/534591313.db2.gz JIKMOTDNXNEUDI-GFCCVEGCSA-N 0 0 318.439 0.803 10 30 DCEERN CCc1nnc(N2CCN3CCOC[C@@H]3C2)c(C#N)c1CC 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10 30 DCEERN C#CCC(CC#C)C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000277700710 526672172 /nfs/dbraw/zinc/67/21/72/526672172.db2.gz OFWMFEAISWXYCV-UHFFFAOYSA-N 0 0 300.362 0.685 10 30 DCEERN C#CCCCC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000365225507 526678145 /nfs/dbraw/zinc/67/81/45/526678145.db2.gz CDMVATRBGFZSLA-UHFFFAOYSA-N 0 0 302.378 0.944 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000280569023 526678454 /nfs/dbraw/zinc/67/84/54/526678454.db2.gz LJFUQCHXQUSUGJ-UHFFFAOYSA-N 0 0 306.391 0.981 10 30 DCEERN C#CCCCCNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000376307380 526697698 /nfs/dbraw/zinc/69/76/98/526697698.db2.gz GYYCFEUOUVYUEI-ZDUSSCGKSA-N 0 0 315.439 0.855 10 30 DCEERN C#CCCCNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367758984 526711045 /nfs/dbraw/zinc/71/10/45/526711045.db2.gz FQKIQVZTETVRNG-LBPRGKRZSA-N 0 0 301.412 0.465 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000184053754 526712854 /nfs/dbraw/zinc/71/28/54/526712854.db2.gz ZEBMKMRINKGBRB-LSDHHAIUSA-N 0 0 323.437 0.638 10 30 DCEERN N#Cc1cccc(NC(=O)CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000185164220 526718088 /nfs/dbraw/zinc/71/80/88/526718088.db2.gz JAPAMSAZTGHDLE-INIZCTEOSA-N 0 0 301.346 0.988 10 30 DCEERN C=CCOCCNC(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000369963606 526778377 /nfs/dbraw/zinc/77/83/77/526778377.db2.gz GOPSLKADIMRYQI-OLZOCXBDSA-N 0 0 314.382 0.941 10 30 DCEERN N#Cc1ncn(CC(=O)NCCN2CCc3ccccc32)c1C#N ZINC000126407576 526797980 /nfs/dbraw/zinc/79/79/80/526797980.db2.gz YDCNAZLEPVIAHF-UHFFFAOYSA-N 0 0 320.356 0.805 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000280654724 526799302 /nfs/dbraw/zinc/79/93/02/526799302.db2.gz KJHUTHSQFXGJLU-FZMZJTMJSA-N 0 0 321.381 0.732 10 30 DCEERN C#CCN(CC#C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000190433233 526839353 /nfs/dbraw/zinc/83/93/53/526839353.db2.gz ULYPCVRKVNYOKU-UHFFFAOYSA-N 0 0 308.297 0.770 10 30 DCEERN C#CCNC(=O)[C@H](C)N1CCCN(c2ncccc2C#N)CC1 ZINC000098136840 527025632 /nfs/dbraw/zinc/02/56/32/527025632.db2.gz 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/nfs/dbraw/zinc/25/71/43/527257143.db2.gz PVXJNECRKHWULU-CYBMUJFWSA-N 0 0 320.389 0.946 10 30 DCEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](O)CO ZINC000188017513 527257852 /nfs/dbraw/zinc/25/78/52/527257852.db2.gz PVXJNECRKHWULU-ZDUSSCGKSA-N 0 0 320.389 0.946 10 30 DCEERN C=CCCS(=O)(=O)N1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000364292326 527410846 /nfs/dbraw/zinc/41/08/46/527410846.db2.gz QSCRXYZHTBPBCH-RYUDHWBXSA-N 0 0 305.396 0.935 10 30 DCEERN C=CCCS(=O)(=O)N1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000364292327 527412429 /nfs/dbraw/zinc/41/24/29/527412429.db2.gz QSCRXYZHTBPBCH-VXGBXAGGSA-N 0 0 305.396 0.935 10 30 DCEERN C=C[C@H](C)NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000362379824 527560593 /nfs/dbraw/zinc/56/05/93/527560593.db2.gz MOEDGARWYVSZAR-ZDUSSCGKSA-N 0 0 308.426 0.804 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000160984666 527611778 /nfs/dbraw/zinc/61/17/78/527611778.db2.gz TYEDQUASITZAFU-ZDUSSCGKSA-N 0 0 306.366 0.952 10 30 DCEERN CCN(CCC#N)C(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000161198283 528361334 /nfs/dbraw/zinc/36/13/34/528361334.db2.gz CXOBHSWNMPFZIY-LBPRGKRZSA-N 0 0 307.354 0.514 10 30 DCEERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 ZINC000407976328 528421514 /nfs/dbraw/zinc/42/15/14/528421514.db2.gz TXMZLUNXFZOIIF-RYUDHWBXSA-N 0 0 316.427 0.456 10 30 DCEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171619882 528692713 /nfs/dbraw/zinc/69/27/13/528692713.db2.gz GFQVQMCFUUOLOK-KGLIPLIRSA-N 0 0 304.398 0.923 10 30 DCEERN CC1(C#N)CCN(S(=O)(=O)CCCN2CCOCC2)CC1 ZINC000361817244 528840679 /nfs/dbraw/zinc/84/06/79/528840679.db2.gz YHQKLGUMQNPQMW-UHFFFAOYSA-N 0 0 315.439 0.664 10 30 DCEERN CCOC(=O)C[C@H](C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000366886910 528884642 /nfs/dbraw/zinc/88/46/42/528884642.db2.gz QBNYSMMRGUPVLG-GXTWGEPZSA-N 0 0 322.409 0.957 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C2CCC2)CC1 ZINC000128036314 545778260 /nfs/dbraw/zinc/77/82/60/545778260.db2.gz YSISOJVACXUAII-ZDUSSCGKSA-N 0 0 308.426 0.804 10 30 DCEERN C[C@@H](CNC(=O)N1CCc2cncnc2C1)CN1CCOCC1 ZINC000329444102 546049125 /nfs/dbraw/zinc/04/91/25/546049125.db2.gz NLYXDMPCBXJZEO-ZDUSSCGKSA-N 0 0 319.409 0.717 10 30 DCEERN O=C(NCCN1C(=O)CCCC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329545693 546050596 /nfs/dbraw/zinc/05/05/96/546050596.db2.gz ZRHGMJDPBDODRT-COPLHBTASA-N 0 0 310.350 0.534 10 30 DCEERN C[C@H](NC(=O)COC[C@@H]1CCOC1)C(=O)N1CCOCC1 ZINC000329631703 546053073 /nfs/dbraw/zinc/05/30/73/546053073.db2.gz IIHWRRCFOXIMAY-NWDGAFQWSA-N 0 0 300.355 0.243 10 30 DCEERN C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000023403592 657635594 /nfs/dbraw/zinc/63/55/94/657635594.db2.gz NSQFGSQKGUKANJ-CYBMUJFWSA-N 0 0 316.357 0.714 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000121281631 658448733 /nfs/dbraw/zinc/44/87/33/658448733.db2.gz IRJWJZMLTJKIJZ-OAHLLOKOSA-N 0 0 313.357 0.734 10 30 DCEERN C#CCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000288193622 658470838 /nfs/dbraw/zinc/47/08/38/658470838.db2.gz 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/nfs/dbraw/zinc/96/92/10/664969210.db2.gz AGSLLILEQGZIDM-UHFFFAOYSA-N 0 0 309.285 0.506 10 30 DCEERN C#CCN1CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000733161537 665078697 /nfs/dbraw/zinc/07/86/97/665078697.db2.gz XLAIBVIDVVYKFF-UHFFFAOYSA-N 0 0 302.378 0.598 10 30 DCEERN C#CCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000733248007 666358346 /nfs/dbraw/zinc/35/83/46/666358346.db2.gz IJPXECRQOSYXTB-UHFFFAOYSA-N 0 0 307.331 0.925 10 30 DCEERN C#C[C@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000700603068 666746136 /nfs/dbraw/zinc/74/61/36/666746136.db2.gz TUVIPIDJMSGWRA-NWDGAFQWSA-N 0 0 301.433 0.779 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000702832301 667000987 /nfs/dbraw/zinc/00/09/87/667000987.db2.gz PWCDGVJAFHWDIR-RYUDHWBXSA-N 0 0 319.365 0.988 10 30 DCEERN CCOC(=O)C(=O)N1CCN(C(=O)c2sccc2C#N)CC1 ZINC000736130074 667103222 /nfs/dbraw/zinc/10/32/22/667103222.db2.gz APUKKISTPFUCKO-UHFFFAOYSA-N 0 0 321.358 0.467 10 30 DCEERN 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315.377 0.028 10 30 DCEERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137452966 667744201 /nfs/dbraw/zinc/74/42/01/667744201.db2.gz FKHZPGTYXAPVOT-WCQYABFASA-N 0 0 314.341 0.879 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](CCO)C1 ZINC000742402053 667791386 /nfs/dbraw/zinc/79/13/86/667791386.db2.gz AXBZTOBPIUVOAG-NSHDSACASA-N 0 0 309.391 0.804 10 30 DCEERN C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C#N ZINC000131569583 669673445 /nfs/dbraw/zinc/67/34/45/669673445.db2.gz AZRVUJKKFMMHIX-SECBINFHSA-N 0 0 303.322 0.611 10 30 DCEERN COCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000194883429 670461405 /nfs/dbraw/zinc/46/14/05/670461405.db2.gz CVPMGCZSDIUKLU-NXEZZACHSA-N 0 0 323.315 0.731 10 30 DCEERN CCCCCCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000112495702 670608468 /nfs/dbraw/zinc/60/84/68/670608468.db2.gz JSJYENLFQHYDBT-GFCCVEGCSA-N 0 0 314.407 0.923 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1 ZINC000718548833 685305113 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C[C@@H]1C(=O)NCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736774 185015294 /nfs/dbraw/zinc/01/52/94/185015294.db2.gz YAMFIWILSYDXOD-LLVKDONJSA-N 0 0 302.334 0.467 10 30 DCEERN CN1CCO[C@H]2CN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]21 ZINC000408460651 529791471 /nfs/dbraw/zinc/79/14/71/529791471.db2.gz QALHUBVXDNFDSB-NEPJUHHUSA-N 0 0 301.412 0.271 10 30 DCEERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)CCC1=O ZINC000175994290 529819580 /nfs/dbraw/zinc/81/95/80/529819580.db2.gz OYPIECSWEXPUJL-NSHDSACASA-N 0 0 318.308 0.373 10 30 DCEERN CN1C[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)CCC1=O ZINC000133332004 529819933 /nfs/dbraw/zinc/81/99/33/529819933.db2.gz LWDSHOFXILCMBC-ZDUSSCGKSA-N 0 0 301.346 0.868 10 30 DCEERN C[C@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@@H]1N1CCOCC1 ZINC000283354778 290758647 /nfs/dbraw/zinc/75/86/47/290758647.db2.gz IRFTVVKRYWVQOO-WFASDCNBSA-N 0 0 300.362 0.746 10 30 DCEERN CCCN(C[C@H]1CCCCO1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301281078 283290218 /nfs/dbraw/zinc/29/02/18/283290218.db2.gz QACMCRVRVBUENN-GFCCVEGCSA-N 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318.402 0.889 10 30 DCEERN CN(C)c1noc(CN2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000192700462 396436004 /nfs/dbraw/zinc/43/60/04/396436004.db2.gz HBRVHKFYPMEVSR-UHFFFAOYSA-N 0 0 313.365 0.724 10 30 DCEERN C=CCCO[C@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733785 396651239 /nfs/dbraw/zinc/65/12/39/396651239.db2.gz YAOWIWHQSUPOFA-GFCCVEGCSA-N 0 0 304.412 0.509 10 30 DCEERN CNC(=O)[C@H]1CN(c2ncccc2C#N)C[C@@H]1c1cnn(C)c1 ZINC000585790199 396656540 /nfs/dbraw/zinc/65/65/40/396656540.db2.gz OCZINLCTCRVBCH-KGLIPLIRSA-N 0 0 310.361 0.653 10 30 DCEERN C=C[C@H](C(=O)OC)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595885196 396675451 /nfs/dbraw/zinc/67/54/51/396675451.db2.gz PLWRIQDYEGMQBR-SECBINFHSA-N 0 0 316.404 0.481 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@](C)(C(F)F)C1 ZINC000595915826 396682121 /nfs/dbraw/zinc/68/21/21/396682121.db2.gz LHVMAZXVMSGCKB-NOZJJQNGSA-N 0 0 305.325 0.743 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000617720367 396792945 /nfs/dbraw/zinc/79/29/45/396792945.db2.gz 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/nfs/dbraw/zinc/84/37/17/396843717.db2.gz UALGTAHJDXIWQW-UHFFFAOYSA-N 0 0 323.397 0.296 10 30 DCEERN C=CC[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)C1 ZINC000625349726 396843936 /nfs/dbraw/zinc/84/39/36/396843936.db2.gz FJLOBDAUSDAQPC-LLVKDONJSA-N 0 0 310.441 0.154 10 30 DCEERN C=C[C@@H](O)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000634448140 396852576 /nfs/dbraw/zinc/85/25/76/396852576.db2.gz OLAFGNTZQPVTPE-IJLUTSLNSA-N 0 0 302.396 0.043 10 30 DCEERN C=CCOCCNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611545935 396884573 /nfs/dbraw/zinc/88/45/73/396884573.db2.gz KIKQXDAQRGZJBW-LBPRGKRZSA-N 0 0 314.382 0.941 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000611548103 396884732 /nfs/dbraw/zinc/88/47/32/396884732.db2.gz CBFUCGFTOCZDCP-UHFFFAOYSA-N 0 0 312.347 0.792 10 30 DCEERN C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000597282275 396931418 /nfs/dbraw/zinc/93/14/18/396931418.db2.gz JMMAYCIBJAAKTA-SNVBAGLBSA-N 0 0 317.353 0.259 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625576921 396932802 /nfs/dbraw/zinc/93/28/02/396932802.db2.gz HJEHDVHDELEGLP-XJKSGUPXSA-N 0 0 310.394 0.268 10 30 DCEERN C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCO[C@@H](C#N)C1 ZINC000597311689 396938140 /nfs/dbraw/zinc/93/81/40/396938140.db2.gz ZZOXOBCRXADIPL-NSHDSACASA-N 0 0 314.353 0.378 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000611874388 396942054 /nfs/dbraw/zinc/94/20/54/396942054.db2.gz IYKVYTASFPTBTM-KBXIAJHMSA-N 0 0 322.405 0.579 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1COC(C)(C)C1 ZINC000611886582 396943975 /nfs/dbraw/zinc/94/39/75/396943975.db2.gz TYGYSYYUCHHRSH-XQQFMLRXSA-N 0 0 310.394 0.768 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000597347887 396947308 /nfs/dbraw/zinc/94/73/08/396947308.db2.gz LUQJFCDBPQKXKE-QWHCGFSZSA-N 0 0 312.366 0.248 10 30 DCEERN C=CCOCCCNC(=O)CNS(=O)(=O)c1cccs1 ZINC000618515660 396987608 /nfs/dbraw/zinc/98/76/08/396987608.db2.gz YRDBBHZSPGPFQT-UHFFFAOYSA-N 0 0 318.420 0.735 10 30 DCEERN C=CCN(C)c1nnc(-c2cn(C)nn2)n1C[C@@H]1CCOC1 ZINC000612145275 397008776 /nfs/dbraw/zinc/00/87/76/397008776.db2.gz HFDOVHJZUFUPDE-NSHDSACASA-N 0 0 303.370 0.732 10 30 DCEERN CNC(=O)c1cc(S(=O)(=O)N2CCC[C@](C)(C#N)C2)cn1C ZINC000612155031 397009722 /nfs/dbraw/zinc/00/97/22/397009722.db2.gz LBRVBRGGLIFGSP-CQSZACIVSA-N 0 0 324.406 0.699 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC000597563593 397014697 /nfs/dbraw/zinc/01/46/97/397014697.db2.gz MMRLXLRDIUGLHL-RZZGRXHGSA-N 0 0 300.424 0.827 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000612306777 397027618 /nfs/dbraw/zinc/02/76/18/397027618.db2.gz AVBZHRMTYWWKAX-HUUCEWRRSA-N 0 0 309.410 0.390 10 30 DCEERN C=CCOC[C@H](NC(=O)Cc1ccnc(OC)c1)C(=O)OC ZINC000597605768 397030278 /nfs/dbraw/zinc/03/02/78/397030278.db2.gz ATMYINBBBFIZGH-LBPRGKRZSA-N 0 0 308.334 0.493 10 30 DCEERN CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000591671231 396971603 /nfs/dbraw/zinc/97/16/03/396971603.db2.gz QHAYWJBILNNLKC-INIZCTEOSA-N 0 0 319.336 0.801 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ncn(CC(=O)OCC)n1 ZINC000597796499 397104940 /nfs/dbraw/zinc/10/49/40/397104940.db2.gz OXPSSNFECRMBFZ-LLVKDONJSA-N 0 0 323.353 0.251 10 30 DCEERN C=CCOC[C@H]1NC(=O)N(c2cccc3c2NC(=O)CO3)C1=O ZINC000630542548 397041458 /nfs/dbraw/zinc/04/14/58/397041458.db2.gz AJGCZYGVXCVKDU-SECBINFHSA-N 0 0 317.301 0.645 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)COCC(C)C ZINC000612413680 397047879 /nfs/dbraw/zinc/04/78/79/397047879.db2.gz DBSRGTOCRMQTHI-ZIAGYGMSSA-N 0 0 300.399 0.607 10 30 DCEERN C=CCCSCCNS(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC000601464203 397138579 /nfs/dbraw/zinc/13/85/79/397138579.db2.gz PLZHEXSLOOHSSS-NSHDSACASA-N 0 0 306.453 0.836 10 30 DCEERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC000619521922 397144521 /nfs/dbraw/zinc/14/45/21/397144521.db2.gz PFGBICHJNZLBPV-AWEZNQCLSA-N 0 0 307.329 0.946 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CC[C@H](C)S(=O)(=O)C2)C1=O ZINC000630986441 397152757 /nfs/dbraw/zinc/15/27/57/397152757.db2.gz JFAKVGABQNYQDN-AXFHLTTASA-N 0 0 300.380 0.839 10 30 DCEERN C[C@H](C(=O)N1CCOC[C@H]1c1ccco1)n1cnc(C#N)n1 ZINC000619593342 397154249 /nfs/dbraw/zinc/15/42/49/397154249.db2.gz UEDLHZBEWTUWPL-MNOVXSKESA-N 0 0 301.306 0.904 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)OC ZINC000601501323 397155081 /nfs/dbraw/zinc/15/50/81/397155081.db2.gz MINRLAFTAXHGBJ-SNVBAGLBSA-N 0 0 301.368 0.515 10 30 DCEERN C[C@H](C(=O)NCCC(=O)Nc1ccccn1)n1cnc(C#N)n1 ZINC000619611940 397158618 /nfs/dbraw/zinc/15/86/18/397158618.db2.gz DKKSHAUWBSEZDQ-SNVBAGLBSA-N 0 0 313.321 0.251 10 30 DCEERN C=CCOC[C@H](NC(=O)c1c(OC)ccnc1OC)C(=O)OC ZINC000601542954 397173789 /nfs/dbraw/zinc/17/37/89/397173789.db2.gz OTCUQROZAGPBAB-JTQLQIEISA-N 0 0 324.333 0.573 10 30 DCEERN C[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000619878932 397203122 /nfs/dbraw/zinc/20/31/22/397203122.db2.gz RNMBIRMKQBGBTM-JTQLQIEISA-N 0 0 305.309 0.561 10 30 DCEERN CC#CC[C@H](CO)NC(=O)CC1(C(=O)OCC)CCOCC1 ZINC000601658702 397209366 /nfs/dbraw/zinc/20/93/66/397209366.db2.gz XMPKZJCAVHXJRU-CYBMUJFWSA-N 0 0 311.378 0.627 10 30 DCEERN C=CCCCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000626710329 397226137 /nfs/dbraw/zinc/22/61/37/397226137.db2.gz BGGJOQXFLBETHK-KBPBESRZSA-N 0 0 320.393 0.791 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC ZINC000601770746 397242113 /nfs/dbraw/zinc/24/21/13/397242113.db2.gz DNUVMZNOZVCJTH-ZDUSSCGKSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)OC ZINC000601781459 397243785 /nfs/dbraw/zinc/24/37/85/397243785.db2.gz JEHAWMUFTNPYOT-PWSUYJOCSA-N 0 0 306.366 0.544 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)OC ZINC000601781842 397243808 /nfs/dbraw/zinc/24/38/08/397243808.db2.gz MGQNKKJEWPRKKP-DCAQKATOSA-N 0 0 305.396 0.680 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cc(C(=O)OC)nn1C)C(=O)OC ZINC000601787309 397245629 /nfs/dbraw/zinc/24/56/29/397245629.db2.gz ILNPZMWZDYPBMJ-VIFPVBQESA-N 0 0 309.322 0.444 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000613487548 397266899 /nfs/dbraw/zinc/26/68/99/397266899.db2.gz YDMWLCXNXYBWGT-KGLIPLIRSA-N 0 0 311.403 0.868 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nnnn1CC1CC1 ZINC000613595901 397285255 /nfs/dbraw/zinc/28/52/55/397285255.db2.gz RSIGOEDHWUDXDU-LBPRGKRZSA-N 0 0 306.370 0.170 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000613850970 397334632 /nfs/dbraw/zinc/33/46/32/397334632.db2.gz WPAFRDHNLBSRLW-OCCSQVGLSA-N 0 0 309.410 0.975 10 30 DCEERN C=CCSCCNC(=O)C(=O)N[C@H]1CCCn2nccc21 ZINC000602240448 397350693 /nfs/dbraw/zinc/35/06/93/397350693.db2.gz VLOVUXYVNOSZAV-NSHDSACASA-N 0 0 308.407 0.870 10 30 DCEERN C=CC[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599378854 397423284 /nfs/dbraw/zinc/42/32/84/397423284.db2.gz QPJKQSGDOQKLGK-VIFPVBQESA-N 0 0 300.340 0.915 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1CCN(C2CC2)C1=O ZINC000614371757 397428208 /nfs/dbraw/zinc/42/82/08/397428208.db2.gz AJEVUYWZWUQDIX-DOMZBBRYSA-N 0 0 307.394 0.984 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC000424932853 397403676 /nfs/dbraw/zinc/40/36/76/397403676.db2.gz OIDCUGMPOPYDJN-JSGCOSHPSA-N 0 0 304.346 0.872 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC000425888102 397407750 /nfs/dbraw/zinc/40/77/50/397407750.db2.gz SLTSUNCAWVZYJS-XDQVBPFNSA-N 0 0 310.394 0.625 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631946 397490634 /nfs/dbraw/zinc/49/06/34/397490634.db2.gz JXMPFJVAPLCGOM-ZERNOSRCSA-N 0 0 313.423 0.372 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599640386 397491975 /nfs/dbraw/zinc/49/19/75/397491975.db2.gz DGDZGKRHPCMDRV-LLVKDONJSA-N 0 0 305.338 0.331 10 30 DCEERN COC(=O)C1(CNC(=O)c2cc(C#N)cn2C)CCOCC1 ZINC000180731821 158480588 /nfs/dbraw/zinc/48/05/88/158480588.db2.gz LXGJOBZKXKXZCG-UHFFFAOYSA-N 0 0 305.334 0.596 10 30 DCEERN CCN1CCO[C@H](CN2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000368431190 159393990 /nfs/dbraw/zinc/39/39/90/159393990.db2.gz AHGPXFLMYVPTFJ-HNNXBMFYSA-N 0 0 316.409 0.191 10 30 DCEERN Cc1conc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000118955531 286946001 /nfs/dbraw/zinc/94/60/01/286946001.db2.gz SRUNDOWYXNGZQS-UHFFFAOYSA-N 0 0 314.301 0.988 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cccnc3C#N)C[C@@H]21 ZINC000253394499 287121439 /nfs/dbraw/zinc/12/14/39/287121439.db2.gz IZQVAJGQTYWYHV-STQMWFEESA-N 0 0 322.390 0.047 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000613176595 412269045 /nfs/dbraw/zinc/26/90/45/412269045.db2.gz BKGJAXVQMSKFRD-LBPRGKRZSA-N 0 0 321.381 0.347 10 30 DCEERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 ZINC000615632592 412306468 /nfs/dbraw/zinc/30/64/68/412306468.db2.gz HPEBKNOGUOHMKC-CYBMUJFWSA-N 0 0 308.317 0.436 10 30 DCEERN C=CCCCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000342480636 415189977 /nfs/dbraw/zinc/18/99/77/415189977.db2.gz NNOZKVVNGMJOHH-OAHLLOKOSA-N 0 0 323.437 0.782 10 30 DCEERN Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)CC2(C#N)CC2)cn1 ZINC000275375625 415376955 /nfs/dbraw/zinc/37/69/55/415376955.db2.gz YDLXBFIQQHVJPF-QWHCGFSZSA-N 0 0 324.406 0.863 10 30 DCEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)NCc1ccco1 ZINC000081058605 415483500 /nfs/dbraw/zinc/48/35/00/415483500.db2.gz LEIIWPHOQPCISI-SNVBAGLBSA-N 0 0 300.318 0.924 10 30 DCEERN C=CCCCN(C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076735277 415456091 /nfs/dbraw/zinc/45/60/91/415456091.db2.gz BHYGWBPAJPUHTH-STQMWFEESA-N 0 0 302.440 0.918 10 30 DCEERN C=CCc1cc([C@@H]2NC(=O)[C@H]3COCCN32)cc(OC)c1O ZINC000093883977 415548346 /nfs/dbraw/zinc/54/83/46/415548346.db2.gz XCPCQAJBMLITBR-IUODEOHRSA-N 0 0 304.346 0.959 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)S(C)(=O)=O ZINC000286427331 415626965 /nfs/dbraw/zinc/62/69/65/415626965.db2.gz BLZPQZKWOMBLTE-CQSZACIVSA-N 0 0 308.403 0.629 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNS(C)(=O)=O ZINC000286480906 415630282 /nfs/dbraw/zinc/63/02/82/415630282.db2.gz HMZNTZOGDMQIHS-AWEZNQCLSA-N 0 0 323.418 0.469 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)CCC)C1 ZINC000101565082 415595378 /nfs/dbraw/zinc/59/53/78/415595378.db2.gz OMYNGSIXOVBAPH-GFCCVEGCSA-N 0 0 310.398 0.379 10 30 DCEERN C#CCC(CC#C)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000287979940 415674033 /nfs/dbraw/zinc/67/40/33/415674033.db2.gz GOXSDAHNUFUDEH-UHFFFAOYSA-N 0 0 304.371 0.613 10 30 DCEERN N#CC1(CN2CCN(C(=O)CN3CCOCC3)CC2)CCC1 ZINC000333535165 415676292 /nfs/dbraw/zinc/67/62/92/415676292.db2.gz JUVVTCZSBDBELJ-UHFFFAOYSA-N 0 0 306.410 0.157 10 30 DCEERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C#N)C1CC1 ZINC000108830992 415681557 /nfs/dbraw/zinc/68/15/57/415681557.db2.gz SHCKSKTVRAOHBM-PSASIEDQSA-N 0 0 313.404 0.833 10 30 DCEERN Cc1nsc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)c1C#N ZINC000290257913 415782921 /nfs/dbraw/zinc/78/29/21/415782921.db2.gz AIUIBQFWEFHWMI-SNVBAGLBSA-N 0 0 319.390 0.108 10 30 DCEERN C#Cc1ccccc1CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000290538066 415818695 /nfs/dbraw/zinc/81/86/95/415818695.db2.gz QIXVISMXDIFJFG-AWEZNQCLSA-N 0 0 306.387 0.361 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000337042573 415896833 /nfs/dbraw/zinc/89/68/33/415896833.db2.gz CJWURKDLPCSESO-LBPRGKRZSA-N 0 0 317.345 0.511 10 30 DCEERN COCCNC(=O)[C@H](CC(C)C)NC(=O)c1cc(C#N)cn1C ZINC000129331639 415906196 /nfs/dbraw/zinc/90/61/96/415906196.db2.gz NAXFUZWIJSOOGU-ZDUSSCGKSA-N 0 0 320.393 0.804 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCOC3)cc2C1=O ZINC000337404616 415955136 /nfs/dbraw/zinc/95/51/36/415955136.db2.gz SQUBTDGDFVRFOW-LLVKDONJSA-N 0 0 300.314 0.987 10 30 DCEERN CC#CCNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000135978139 415961156 /nfs/dbraw/zinc/96/11/56/415961156.db2.gz MHNQTVPSYCKJAH-CQSZACIVSA-N 0 0 320.437 0.784 10 30 DCEERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCC[C@H]1C#N ZINC000300164696 416072334 /nfs/dbraw/zinc/07/23/34/416072334.db2.gz JKQQENYIKCFATB-USZNOCQGSA-N 0 0 300.380 0.940 10 30 DCEERN C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160257159 416006768 /nfs/dbraw/zinc/00/67/68/416006768.db2.gz ZJLXDBYITJDQTO-UHFFFAOYSA-N 0 0 310.375 0.406 10 30 DCEERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CC3(C#N)CC3)[C@@H]2C1 ZINC000166155642 416021125 /nfs/dbraw/zinc/02/11/25/416021125.db2.gz DDBQBUXZLZCUEB-UPJWGTAASA-N 0 0 314.407 0.888 10 30 DCEERN C=C[C@@H](C)NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000338443873 416098469 /nfs/dbraw/zinc/09/84/69/416098469.db2.gz XHQONQOZNKWXCD-LLVKDONJSA-N 0 0 301.412 0.770 10 30 DCEERN CC(C)c1nnc(CN(CCC#N)CCN2CCOCC2)n1C ZINC000176263875 416121372 /nfs/dbraw/zinc/12/13/72/416121372.db2.gz BZWBGTOJCZGVMY-UHFFFAOYSA-N 0 0 320.441 0.986 10 30 DCEERN Cc1cc(N(C)C)nc(NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000328656344 416125403 /nfs/dbraw/zinc/12/54/03/416125403.db2.gz NSWRFUPNTLNNPI-NWDGAFQWSA-N 0 0 320.397 0.411 10 30 DCEERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328866483 416135156 /nfs/dbraw/zinc/13/51/56/416135156.db2.gz GQVHGSQAEKPOLL-IHRRRGAJSA-N 0 0 324.425 0.316 10 30 DCEERN Cc1noc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328890391 416137113 /nfs/dbraw/zinc/13/71/13/416137113.db2.gz RPTPDIBHOHEVLC-NEPJUHHUSA-N 0 0 309.370 0.239 10 30 DCEERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328898100 416137186 /nfs/dbraw/zinc/13/71/86/416137186.db2.gz WNAOOMAVFJEXRO-MCIONIFRSA-N 0 0 324.425 0.316 10 30 DCEERN O=C(N[C@H]1CCCn2ncnc21)N1CCC[C@H]1Cn1ccnn1 ZINC000329059233 416146431 /nfs/dbraw/zinc/14/64/31/416146431.db2.gz NBEMBHHGOVINLO-RYUDHWBXSA-N 0 0 316.369 0.783 10 30 DCEERN C[C@@H](NC([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1)C1CCOCC1 ZINC000329064633 416146499 /nfs/dbraw/zinc/14/64/99/416146499.db2.gz OSLNNDUXXCQSIZ-KGYLQXTDSA-N 0 0 309.370 0.537 10 30 DCEERN CC1(CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCOCC1 ZINC000329082245 416148546 /nfs/dbraw/zinc/14/85/46/416148546.db2.gz SBQFDMUIWFVBPV-NWDGAFQWSA-N 0 0 309.370 0.538 10 30 DCEERN C[C@@H](C(=O)NC(=O)NC1CC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329177514 416154169 /nfs/dbraw/zinc/15/41/69/416154169.db2.gz MVIBBJLBTPNSBT-ATZCPNFKSA-N 0 0 315.395 0.527 10 30 DCEERN C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000329643052 416181407 /nfs/dbraw/zinc/18/14/07/416181407.db2.gz YOLKBROPDIYIMJ-STQMWFEESA-N 0 0 314.407 0.199 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000341460689 416211022 /nfs/dbraw/zinc/21/10/22/416211022.db2.gz FNDUNHIQZIEILM-UHFFFAOYSA-N 0 0 300.366 0.081 10 30 DCEERN Cc1nc([C@@H]2CCCN2C(=O)NCCN2CCNC(=O)C2)no1 ZINC000329292407 416161507 /nfs/dbraw/zinc/16/15/07/416161507.db2.gz IZRXYWUSGPBYDU-NSHDSACASA-N 0 0 322.369 0.701 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000330865397 416243356 /nfs/dbraw/zinc/24/33/56/416243356.db2.gz UUZUZMVKNLGDPP-CZUORRHYSA-N 0 0 310.394 0.411 10 30 DCEERN Cc1cc(N2CCN(C(=O)C3(C#N)CCOCC3)CC2)n[nH]1 ZINC000189771148 416271838 /nfs/dbraw/zinc/27/18/38/416271838.db2.gz RCFPCRYWDOGVOV-UHFFFAOYSA-N 0 0 303.366 0.687 10 30 DCEERN CC(=O)N1CCC[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 ZINC000330787390 416238961 /nfs/dbraw/zinc/23/89/61/416238961.db2.gz OZUHETPPSNCFLG-HNNXBMFYSA-N 0 0 322.409 0.072 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N(CCc2c(C)nn(C)c2C)C1=O ZINC000348490091 416239481 /nfs/dbraw/zinc/23/94/81/416239481.db2.gz GYIHGSJBTRVPHE-ZDUSSCGKSA-N 0 0 306.366 0.702 10 30 DCEERN C=CCN(CCOCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000351713039 416281522 /nfs/dbraw/zinc/28/15/22/416281522.db2.gz RTFBWONRROWJHT-GFCCVEGCSA-N 0 0 305.396 0.241 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190842709 416283002 /nfs/dbraw/zinc/28/30/02/416283002.db2.gz BTRMJVCKCZFGDE-UHFFFAOYSA-N 0 0 302.327 0.415 10 30 DCEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000342192111 416291242 /nfs/dbraw/zinc/29/12/42/416291242.db2.gz JNPVVUKBAGOUGO-LBPRGKRZSA-N 0 0 318.377 0.668 10 30 DCEERN C=CCSCCNC(=O)C(=O)Nc1ccc(OC(C)C)nn1 ZINC000342196289 416292742 /nfs/dbraw/zinc/29/27/42/416292742.db2.gz HBEUVXBDIYIYAJ-UHFFFAOYSA-N 0 0 324.406 1.238 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000251874300 416334523 /nfs/dbraw/zinc/33/45/23/416334523.db2.gz PFYIPUBEIUKTIK-QLFBSQMISA-N 0 0 322.405 0.481 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C#N)cs1 ZINC000488259708 416558870 /nfs/dbraw/zinc/55/88/70/416558870.db2.gz CGAFPGSTPYTFQO-BDAKNGLRSA-N 0 0 323.374 0.806 10 30 DCEERN N#Cc1cc(NCCCN2C(=O)COc3ccccc32)ncn1 ZINC000584567459 416514703 /nfs/dbraw/zinc/51/47/03/416514703.db2.gz SIFRGQIWKUILAX-UHFFFAOYSA-N 0 0 309.329 1.576 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597071538 416590331 /nfs/dbraw/zinc/59/03/31/416590331.db2.gz UNCHGEHYJDTQPW-SNVBAGLBSA-N 0 0 310.354 0.850 10 30 DCEERN C[C@](O)(C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)C1CC1 ZINC000367832926 416653577 /nfs/dbraw/zinc/65/35/77/416653577.db2.gz AVGNFGSIFPFPTD-QGZVFWFLSA-N 0 0 314.389 1.517 10 30 DCEERN C#CCCCS(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000367875342 416653852 /nfs/dbraw/zinc/65/38/52/416653852.db2.gz SYJNHXSYZFWICA-HZSPNIEDSA-N 0 0 301.408 0.998 10 30 DCEERN C=CCCn1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)nn1 ZINC000424826306 416669801 /nfs/dbraw/zinc/66/98/01/416669801.db2.gz DIWZQDUDVFUUJP-SNVBAGLBSA-N 0 0 312.395 0.550 10 30 DCEERN C=CCCn1cc(C(=O)N2CCSC[C@@H](C(=O)OC)C2)nn1 ZINC000424881620 416672566 /nfs/dbraw/zinc/67/25/66/416672566.db2.gz MTYOMQKZAJVMID-NSHDSACASA-N 0 0 324.406 0.832 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(C(=O)NCCOC)cn1 ZINC000425286380 416689361 /nfs/dbraw/zinc/68/93/61/416689361.db2.gz UOBVYAFAQCCNTL-JSGCOSHPSA-N 0 0 305.378 1.461 10 30 DCEERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000548819155 416692492 /nfs/dbraw/zinc/69/24/92/416692492.db2.gz IGEMNYVCIFQPJT-NEPJUHHUSA-N 0 0 317.411 0.739 10 30 DCEERN C=CCCn1cc(C(=O)Nc2nn(C)cc2C(=O)OCC)nn1 ZINC000425567625 416714646 /nfs/dbraw/zinc/71/46/46/416714646.db2.gz YSLCHLTUYLDLGX-UHFFFAOYSA-N 0 0 318.337 1.017 10 30 DCEERN CCc1nnc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000369222332 416734514 /nfs/dbraw/zinc/73/45/14/416734514.db2.gz WJSOFGSFBMMOJM-JTQLQIEISA-N 0 0 306.395 1.305 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ncc(C)s1 ZINC000517133311 416783354 /nfs/dbraw/zinc/78/33/54/416783354.db2.gz CYDNEMIBNJDWBU-QWRGUYRKSA-N 0 0 309.391 0.775 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000565829755 417021062 /nfs/dbraw/zinc/02/10/62/417021062.db2.gz HIPYUPSNLVNYRP-AVGNSLFASA-N 0 0 316.423 0.796 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000616368365 417029296 /nfs/dbraw/zinc/02/92/96/417029296.db2.gz XBDDBEOONBPAGF-MGPQQGTHSA-N 0 0 309.410 0.865 10 30 DCEERN N#Cc1cc(N2CCN3CCOC[C@@H]3C2)cc(N)c1[N+](=O)[O-] ZINC000376436482 417031166 /nfs/dbraw/zinc/03/11/66/417031166.db2.gz QWOKBCDLHZHMIS-LBPRGKRZSA-N 0 0 303.322 0.569 10 30 DCEERN C=C(C)CCNC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000624152895 416967294 /nfs/dbraw/zinc/96/72/94/416967294.db2.gz NGMWNAIIBDZVBE-LBPRGKRZSA-N 0 0 303.428 0.923 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(NC(=O)NC)CC1 ZINC000616307716 417011181 /nfs/dbraw/zinc/01/11/81/417011181.db2.gz WZHORGDHFGBQRQ-CYBMUJFWSA-N 0 0 310.398 0.377 10 30 DCEERN C=CC(C)(C)CCNC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000624468149 417042807 /nfs/dbraw/zinc/04/28/07/417042807.db2.gz WDVKSTIBEAGWBG-UHFFFAOYSA-N 0 0 303.428 0.876 10 30 DCEERN C=CCCn1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)nn1 ZINC000567698644 417066988 /nfs/dbraw/zinc/06/69/88/417066988.db2.gz ULEISXUDJAIOLE-STQMWFEESA-N 0 0 324.406 0.646 10 30 DCEERN C=CCCCNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000448378296 417073733 /nfs/dbraw/zinc/07/37/33/417073733.db2.gz UMORPCQXZMZKRE-UHFFFAOYSA-N 0 0 300.322 0.683 10 30 DCEERN C=CCCS(=O)(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C ZINC000632502796 417130392 /nfs/dbraw/zinc/13/03/92/417130392.db2.gz YMCDOSOOWLPAJJ-STQMWFEESA-N 0 0 302.440 0.981 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632572473 417171679 /nfs/dbraw/zinc/17/16/79/417171679.db2.gz XUOKHEWJZXEODR-MJBXVCDLSA-N 0 0 300.424 0.830 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000568917972 417195011 /nfs/dbraw/zinc/19/50/11/417195011.db2.gz NYFYMXDGKYLONQ-ZDUSSCGKSA-N 0 0 301.350 1.385 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N1CC(COC)(C2CC2)C1 ZINC000632714560 417238660 /nfs/dbraw/zinc/23/86/60/417238660.db2.gz CLPKZJDBYQXNLC-UHFFFAOYSA-N 0 0 310.394 0.580 10 30 DCEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](OC)C[C@]2(C)CO)C1 ZINC000632718971 417239995 /nfs/dbraw/zinc/23/99/95/417239995.db2.gz WYCBGFBLTPVWJA-CKEIUWERSA-N 0 0 324.421 0.799 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000528339251 417328514 /nfs/dbraw/zinc/32/85/14/417328514.db2.gz OQRBYMKPKWMZLN-UHFFFAOYSA-N 0 0 321.396 0.738 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(N2CCOCC2)ncn1 ZINC000633320862 417410161 /nfs/dbraw/zinc/41/01/61/417410161.db2.gz QZOKZMGMRVSWDI-OCCSQVGLSA-N 0 0 318.377 0.777 10 30 DCEERN C=CCCOCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000454717165 417578256 /nfs/dbraw/zinc/57/82/56/417578256.db2.gz NVJGLTGZJSDDLN-OLZOCXBDSA-N 0 0 316.423 0.940 10 30 DCEERN C=CCNC(=O)CNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000454766569 417579360 /nfs/dbraw/zinc/57/93/60/417579360.db2.gz IMTHRAUJWWOKTQ-DYEKYZERSA-N 0 0 321.381 0.203 10 30 DCEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635187337 417602713 /nfs/dbraw/zinc/60/27/13/417602713.db2.gz WFNNHYUBWINIPF-SECBINFHSA-N 0 0 324.308 0.936 10 30 DCEERN C=CCCOCCNC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635091468 417573302 /nfs/dbraw/zinc/57/33/02/417573302.db2.gz DUYXSUFFNKSUID-UHFFFAOYSA-N 0 0 306.366 0.867 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628722322 417682610 /nfs/dbraw/zinc/68/26/10/417682610.db2.gz DTRPGLYDIIECQH-XHDPSFHLSA-N 0 0 316.365 0.146 10 30 DCEERN C=CCC[C@@H](NC(=O)CNC(=O)c1ccccn1)C(=O)OCC ZINC000456624971 417658190 /nfs/dbraw/zinc/65/81/90/417658190.db2.gz JCZALHNELABLIA-CYBMUJFWSA-N 0 0 319.361 0.826 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3C[C@@H](O)C3)cc2C1=O ZINC000629067998 417741601 /nfs/dbraw/zinc/74/16/01/417741601.db2.gz CKAOUIRQSWZAPN-KLPPZKSPSA-N 0 0 314.341 0.969 10 30 DCEERN C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1CCO ZINC000188726614 261129594 /nfs/dbraw/zinc/12/95/94/261129594.db2.gz SFBOLJPTKHJCHW-LBPRGKRZSA-N 0 0 309.391 0.245 10 30 DCEERN Cn1cc(OCC(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 ZINC000362326821 262022816 /nfs/dbraw/zinc/02/28/16/262022816.db2.gz WRQXYQNLEUGEJI-UHFFFAOYSA-N 0 0 323.316 0.890 10 30 DCEERN CC[C@@H](NC(=O)c1ccc(C#N)n1C)C(=O)N1CCOCC1 ZINC000450124392 267194929 /nfs/dbraw/zinc/19/49/29/267194929.db2.gz GFZQOWWDXVEBBM-GFCCVEGCSA-N 0 0 304.350 0.264 10 30 DCEERN CS(=O)(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530907989 272751191 /nfs/dbraw/zinc/75/11/91/272751191.db2.gz LOBZZCOQVULSFU-UHFFFAOYSA-N 0 0 307.375 0.205 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ccncc2[N+](=O)[O-])CC1 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COC(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000732664492 664950433 /nfs/dbraw/zinc/95/04/33/664950433.db2.gz KEXDWWPTALABMB-LBPRGKRZSA-N 0 0 314.345 0.681 10 30 DCEERN C#CCNC(=O)COC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000732688494 664951898 /nfs/dbraw/zinc/95/18/98/664951898.db2.gz PXJDVELFVWZIHY-UHFFFAOYSA-N 0 0 304.331 0.450 10 30 DCEERN C#CCCCCNC(=O)N1CCN(CC(=O)NCC=C)CC1 ZINC000154930398 665202677 /nfs/dbraw/zinc/20/26/77/665202677.db2.gz MNQGZVHFJIPVST-UHFFFAOYSA-N 0 0 306.410 0.419 10 30 DCEERN C#CCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000733287962 666474485 /nfs/dbraw/zinc/47/44/85/666474485.db2.gz WGGSWUTZTPEEMH-UHFFFAOYSA-N 0 0 316.329 0.773 10 30 DCEERN CO[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F ZINC000733352564 666500916 /nfs/dbraw/zinc/50/09/16/666500916.db2.gz HKTBWXDZLNOCQR-WDEREUQCSA-N 0 0 320.315 0.945 10 30 DCEERN C#CCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000733616652 666776966 /nfs/dbraw/zinc/77/69/66/666776966.db2.gz MENMJXZFKSHEQS-LLVKDONJSA-N 0 0 310.379 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319.365 0.988 10 30 DCEERN CC(=O)N1CSC[C@@H]1C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000735635663 667014211 /nfs/dbraw/zinc/01/42/11/667014211.db2.gz NTRVWFKOWAFCLB-SECBINFHSA-N 0 0 323.403 0.720 10 30 DCEERN C#CCN1CCN(C(=O)c2nn(CC)c3ccccc3c2=O)CC1 ZINC000735658275 667019154 /nfs/dbraw/zinc/01/91/54/667019154.db2.gz ADEUZLCXQQOTHN-UHFFFAOYSA-N 0 0 324.384 0.807 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2cncc(C#N)n2)C1 ZINC000705656426 667364512 /nfs/dbraw/zinc/36/45/12/667364512.db2.gz HCMILGTYPPXFAY-PWSUYJOCSA-N 0 0 319.365 0.988 10 30 DCEERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000711187648 667452243 /nfs/dbraw/zinc/45/22/43/667452243.db2.gz JNKROTKSDGEJPW-ZETCQYMHSA-N 0 0 301.755 0.706 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000741096170 667758499 /nfs/dbraw/zinc/75/84/99/667758499.db2.gz RQRXYXQQCXFDBJ-UHFFFAOYSA-N 0 0 301.346 0.775 10 30 DCEERN C#CCN(C(=O)[C@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000742052715 667779724 /nfs/dbraw/zinc/77/97/24/667779724.db2.gz 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/nfs/dbraw/zinc/41/36/89/533413689.db2.gz GGQFGMQUKRJVRU-SNVBAGLBSA-N 0 0 300.384 0.013 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000042541415 395746456 /nfs/dbraw/zinc/74/64/56/395746456.db2.gz OJCOXPWMWJKUTQ-AWEZNQCLSA-N 0 0 324.469 0.600 10 30 DCEERN CC(=O)O[C@@H]1CO[C@@](F)(C#N)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000106385673 395782444 /nfs/dbraw/zinc/78/24/44/395782444.db2.gz TVLDSZTUKGEGGQ-KXNHARMFSA-N 0 0 303.242 0.001 10 30 DCEERN C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CCS1(=O)=O ZINC000123762649 395896628 /nfs/dbraw/zinc/89/66/28/395896628.db2.gz AZGFBDFZEHXOEK-LLVKDONJSA-N 0 0 307.375 0.887 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCOC)nc1 ZINC000273375175 395916883 /nfs/dbraw/zinc/91/68/83/395916883.db2.gz CURVSECDCIXVFE-GFCCVEGCSA-N 0 0 323.349 0.099 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000273398316 395918844 /nfs/dbraw/zinc/91/88/44/395918844.db2.gz FZQFTHOSPBKFDP-VIFPVBQESA-N 0 0 316.335 0.819 10 30 DCEERN N#Cc1ccc(S(=O)(=O)CCSC[C@@H](O)CO)cc1 ZINC000147965623 395967403 /nfs/dbraw/zinc/96/74/03/395967403.db2.gz XVGALZDSGYDILX-NSHDSACASA-N 0 0 301.389 0.418 10 30 DCEERN N#Cc1ccsc1N1CC[C@H](N2C[C@@H](O)C[C@@H]2CO)C1=O ZINC000249269912 396004835 /nfs/dbraw/zinc/00/48/35/396004835.db2.gz AKOJLWYMUULZFA-WOPDTQHZSA-N 0 0 307.375 0.153 10 30 DCEERN Cn1nccc1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163089944 396085952 /nfs/dbraw/zinc/08/59/52/396085952.db2.gz HNIFTQXHSJFBJR-UHFFFAOYSA-N 0 0 304.375 0.855 10 30 DCEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000177787241 396184131 /nfs/dbraw/zinc/18/41/31/396184131.db2.gz VIAWHWSYBDUXBE-QWRGUYRKSA-N 0 0 322.336 0.909 10 30 DCEERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H](C)C#N)C2=O)n(C)n1 ZINC000182694680 396252798 /nfs/dbraw/zinc/25/27/98/396252798.db2.gz GLFQEZDHGUWRRL-ZYHUDNBSSA-N 0 0 318.381 0.683 10 30 DCEERN C[C@H](C#N)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000182869258 396255662 /nfs/dbraw/zinc/25/56/62/396255662.db2.gz CCYZIWOHPCEOKX-CYBMUJFWSA-N 0 0 304.398 0.797 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000183213993 396264813 /nfs/dbraw/zinc/26/48/13/396264813.db2.gz QPDDPMXDEDUOLH-LBPRGKRZSA-N 0 0 315.333 0.259 10 30 DCEERN CC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1noc(C)n1 ZINC000080679179 396284067 /nfs/dbraw/zinc/28/40/67/396284067.db2.gz FRSXEOUJUBSGHK-SECBINFHSA-N 0 0 304.310 0.210 10 30 DCEERN Cn1cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1C#N ZINC000191447927 396419873 /nfs/dbraw/zinc/41/98/73/396419873.db2.gz IZFOJDMCFAKGLE-HNNXBMFYSA-N 0 0 322.434 0.897 10 30 DCEERN C=CCSCCNS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594752936 396506620 /nfs/dbraw/zinc/50/66/20/396506620.db2.gz XLZOGZHWBGGTNK-RYUDHWBXSA-N 0 0 309.453 0.877 10 30 DCEERN C=CCOCCCNS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000594849823 396528277 /nfs/dbraw/zinc/52/82/77/396528277.db2.gz HZQCCLLCEXNPAY-UHFFFAOYSA-N 0 0 317.367 0.457 10 30 DCEERN Cc1ccnc(N2CC[C@H](S(=O)(=O)NC3CC3)C2)c1C#N ZINC000373265401 396580013 /nfs/dbraw/zinc/58/00/13/396580013.db2.gz AUGZDDSFEQNUGS-LBPRGKRZSA-N 0 0 306.391 0.922 10 30 DCEERN N#Cc1cnccc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000585788840 396655746 /nfs/dbraw/zinc/65/57/46/396655746.db2.gz ODZCEFFCWDTUCT-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncns2)CC1 ZINC000595515421 396621111 /nfs/dbraw/zinc/62/11/11/396621111.db2.gz IXEIWWPYTAOEGJ-JTQLQIEISA-N 0 0 324.410 0.060 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2CO)c(F)c1 ZINC000586860106 396669217 /nfs/dbraw/zinc/66/92/17/396669217.db2.gz SNMMCEYWYMMJEA-LBPRGKRZSA-N 0 0 305.309 0.297 10 30 DCEERN CC(=O)N(C)c1cccc(NC(=O)NCC(=O)NCC#N)c1 ZINC000588257566 396682882 /nfs/dbraw/zinc/68/28/82/396682882.db2.gz PXGWKPUBVSJSNH-UHFFFAOYSA-N 0 0 303.322 0.431 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)CCCCCC#N)CC1 ZINC000588746304 396690470 /nfs/dbraw/zinc/69/04/70/396690470.db2.gz DDQQJNVXXNCIKD-UHFFFAOYSA-N 0 0 306.410 0.907 10 30 DCEERN N#Cc1ccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000374967090 396701347 /nfs/dbraw/zinc/70/13/47/396701347.db2.gz YSGDRBABKIXMMJ-AWEZNQCLSA-N 0 0 301.346 0.480 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589608656 396719229 /nfs/dbraw/zinc/71/92/29/396719229.db2.gz VVDLXZVYLOBDSY-UHFFFAOYSA-N 0 0 313.361 0.013 10 30 DCEERN C=CCOc1cccnc1C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617709486 396782787 /nfs/dbraw/zinc/78/27/87/396782787.db2.gz YKGFILCJOXLLNI-INIZCTEOSA-N 0 0 322.361 0.544 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C3CC3)CC2)cc1C#N ZINC000314582709 396782863 /nfs/dbraw/zinc/78/28/63/396782863.db2.gz WBSUBMCKFDVXHC-UHFFFAOYSA-N 0 0 306.391 0.730 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC000624992269 396742042 /nfs/dbraw/zinc/74/20/42/396742042.db2.gz QYBDBODVZGFRQA-LLVKDONJSA-N 0 0 315.381 0.911 10 30 DCEERN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629434623 396755393 /nfs/dbraw/zinc/75/53/93/396755393.db2.gz CUWWLEKDEKJKGL-NVXWUHKLSA-N 0 0 319.405 0.726 10 30 DCEERN N#Cc1ccc(CN2C(=O)[C@H]3[C@H](O)CCCN3C2=O)c(F)c1 ZINC000617675228 396768902 /nfs/dbraw/zinc/76/89/02/396768902.db2.gz VCRQBDNMPMDDQN-CHWSQXEVSA-N 0 0 303.293 0.985 10 30 DCEERN CNC(=O)c1cc(S(=O)(=O)N[C@@H](C#N)CC(C)C)cn1C ZINC000611114390 396819704 /nfs/dbraw/zinc/81/97/04/396819704.db2.gz LCWCQHYHFOBXMY-SNVBAGLBSA-N 0 0 312.395 0.601 10 30 DCEERN CN(C[C@H]1CCn2ccnc2C1)C(=O)N[C@H]1CCN(C)C1=O ZINC000328629965 396827161 /nfs/dbraw/zinc/82/71/61/396827161.db2.gz PIAVZDPXUJEGBM-RYUDHWBXSA-N 0 0 305.382 0.522 10 30 DCEERN C=CCOCCCNC(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000596817081 396837623 /nfs/dbraw/zinc/83/76/23/396837623.db2.gz WDLJECARHAPPSQ-NWDGAFQWSA-N 0 0 300.355 0.145 10 30 DCEERN C=CCCOCC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000629889186 396863554 /nfs/dbraw/zinc/86/35/54/396863554.db2.gz IVZSXARLWXWZDJ-LBPRGKRZSA-N 0 0 304.412 0.367 10 30 DCEERN C=CCN(C)c1nnc(-c2cn(C)nn2)n1C[C@@H]1CCCO1 ZINC000611895047 396945331 /nfs/dbraw/zinc/94/53/31/396945331.db2.gz VYFQZCHRLPJTDW-NSHDSACASA-N 0 0 303.370 0.875 10 30 DCEERN C=CCOCCCNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000618515671 396987480 /nfs/dbraw/zinc/98/74/80/396987480.db2.gz GBBLVGZJYGPMPY-UHFFFAOYSA-N 0 0 318.439 0.757 10 30 DCEERN C=CCOC[C@H]1NC(=O)N(c2cnc(OC)c(OC)c2)C1=O ZINC000630526986 397038270 /nfs/dbraw/zinc/03/82/70/397038270.db2.gz GAVBDBIASLINPY-SNVBAGLBSA-N 0 0 307.306 0.726 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C(=O)OC)cn1 ZINC000597611939 397031182 /nfs/dbraw/zinc/03/11/82/397031182.db2.gz VDSHMMZOENGDRX-AWEZNQCLSA-N 0 0 319.361 0.955 10 30 DCEERN CNC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000591673829 396973118 /nfs/dbraw/zinc/97/31/18/396973118.db2.gz JPCOYXPWPBXOFN-MRXNPFEDSA-N 0 0 301.346 0.661 10 30 DCEERN C=CCN(C)C(=O)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000612463210 397063521 /nfs/dbraw/zinc/06/35/21/397063521.db2.gz GBQAMFSENFGNKG-KBPBESRZSA-N 0 0 304.394 0.892 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592030393 397070713 /nfs/dbraw/zinc/07/07/13/397070713.db2.gz AJUUPPMIEJEODC-LOWDOPEQSA-N 0 0 312.366 0.143 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000612522140 397079029 /nfs/dbraw/zinc/07/90/29/397079029.db2.gz HBVBOYKWIHIHSO-VXGBXAGGSA-N 0 0 302.396 0.151 10 30 DCEERN C=C1CC(C)(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000630538954 397040596 /nfs/dbraw/zinc/04/05/96/397040596.db2.gz SKKLXBLFTASZMY-ZDUSSCGKSA-N 0 0 312.435 0.674 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CCOC)C(=O)OC ZINC000597671799 397053364 /nfs/dbraw/zinc/05/33/64/397053364.db2.gz PROBQCGPXDMPIX-NWDGAFQWSA-N 0 0 300.355 0.152 10 30 DCEERN C=CCOC[C@H]1NC(=O)N(Cc2c3c(nn2C)CCCC3)C1=O ZINC000349028309 397057974 /nfs/dbraw/zinc/05/79/74/397057974.db2.gz SIEWLZQYAMFHTE-CYBMUJFWSA-N 0 0 318.377 0.922 10 30 DCEERN N#Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c(F)c1 ZINC000619709498 397180295 /nfs/dbraw/zinc/18/02/95/397180295.db2.gz YFOOGTNXRDISFN-LBPRGKRZSA-N 0 0 324.337 0.256 10 30 DCEERN C=CCCCS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC000601486420 397146767 /nfs/dbraw/zinc/14/67/67/397146767.db2.gz DHSLRWJWOUQBIH-DGCLKSJQSA-N 0 0 305.396 0.935 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)NC(C)(C)C)C1=O ZINC000630969207 397147944 /nfs/dbraw/zinc/14/79/44/397147944.db2.gz VBFMDQOVRSQJCX-JTQLQIEISA-N 0 0 317.411 0.591 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[C@H](C)S(=O)(=O)C2)C1=O ZINC000630986442 397152939 /nfs/dbraw/zinc/15/29/39/397152939.db2.gz JFAKVGABQNYQDN-DCAQKATOSA-N 0 0 300.380 0.839 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)OC ZINC000601502299 397154492 /nfs/dbraw/zinc/15/44/92/397154492.db2.gz VBYBWJRNZCJSJP-SNVBAGLBSA-N 0 0 321.395 0.613 10 30 DCEERN C[C@H](C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)n1cnc(C#N)n1 ZINC000619588983 397154584 /nfs/dbraw/zinc/15/45/84/397154584.db2.gz HIMPPDREBHOZKH-NEPJUHHUSA-N 0 0 324.344 0.632 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CCC(=O)OCC)C(=O)OC ZINC000601502667 397154655 /nfs/dbraw/zinc/15/46/55/397154655.db2.gz SMPWPVUJTXCNKW-JTQLQIEISA-N 0 0 307.368 0.367 10 30 DCEERN C[C@@H](C(=O)NCc1csc(N(C)C)n1)n1cnc(C#N)n1 ZINC000619595750 397155317 /nfs/dbraw/zinc/15/53/17/397155317.db2.gz NXHDTHRYUXBEMM-QMMMGPOBSA-N 0 0 305.367 0.550 10 30 DCEERN C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CC(C)(C)CO2)c1=O ZINC000631006150 397155449 /nfs/dbraw/zinc/15/54/49/397155449.db2.gz RRLMAYJXZROIBV-GFCCVEGCSA-N 0 0 321.377 0.359 10 30 DCEERN COc1cc(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1O ZINC000619614530 397159237 /nfs/dbraw/zinc/15/92/37/397159237.db2.gz VVTZVCRVOOOBDJ-SNVBAGLBSA-N 0 0 315.333 0.784 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1c(OC)ccnc1OC)C(=O)OC ZINC000601542955 397173552 /nfs/dbraw/zinc/17/35/52/397173552.db2.gz OTCUQROZAGPBAB-SNVBAGLBSA-N 0 0 324.333 0.573 10 30 DCEERN C=CCNC(=O)CN[C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592192146 397117403 /nfs/dbraw/zinc/11/74/03/397117403.db2.gz MTYJNDPGOWUNBZ-ZDUSSCGKSA-N 0 0 308.382 0.695 10 30 DCEERN C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccncc1 ZINC000619711443 397181109 /nfs/dbraw/zinc/18/11/09/397181109.db2.gz IBEHFQYAGQDNBD-WCQYABFASA-N 0 0 310.379 0.244 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)OC ZINC000601779220 397243298 /nfs/dbraw/zinc/24/32/98/397243298.db2.gz RWOKFILTIAMIJJ-GFCCVEGCSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@H](NC(=O)CNC(=O)c1ccncc1)C(=O)OC ZINC000601786737 397243828 /nfs/dbraw/zinc/24/38/28/397243828.db2.gz IKCYIPBSBKRXNE-LBPRGKRZSA-N 0 0 305.334 0.435 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)OC ZINC000601783029 397244463 /nfs/dbraw/zinc/24/44/63/397244463.db2.gz SZSAQSPXONXZNU-ZDUSSCGKSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)OC ZINC000601782632 397244476 /nfs/dbraw/zinc/24/44/76/397244476.db2.gz RJGZFABSLHJPQD-NEPJUHHUSA-N 0 0 306.366 0.773 10 30 DCEERN C=C(C)C[C@@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000601783706 397244591 /nfs/dbraw/zinc/24/45/91/397244591.db2.gz XRKKUNZDHUUUIL-NWDGAFQWSA-N 0 0 317.407 0.825 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCCCS(C)(=O)=O ZINC000613641382 397291598 /nfs/dbraw/zinc/29/15/98/397291598.db2.gz NDVXBKISYLXWFC-ZDUSSCGKSA-N 0 0 318.439 0.788 10 30 DCEERN C=CCSCCNC(=O)N1CCN(c2nccnn2)CC1 ZINC000598979059 397317243 /nfs/dbraw/zinc/31/72/43/397317243.db2.gz UKESAODPROGAOL-UHFFFAOYSA-N 0 0 308.411 0.622 10 30 DCEERN C[C@H]1N(S(=O)(=O)N(C)CCC#N)CCC12CCOCC2 ZINC000408211433 397350156 /nfs/dbraw/zinc/35/01/56/397350156.db2.gz PBABJVWVZKEEFB-GFCCVEGCSA-N 0 0 301.412 0.968 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408215749 397350481 /nfs/dbraw/zinc/35/04/81/397350481.db2.gz ABNDZHLRJCQZCY-RYUDHWBXSA-N 0 0 303.428 0.806 10 30 DCEERN C=CC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599231234 397369733 /nfs/dbraw/zinc/36/97/33/397369733.db2.gz HCTUTMQVNWXIBH-UHFFFAOYSA-N 0 0 300.340 0.915 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)Cc2ccnc(OC)c2)C1=O ZINC000614394561 397431820 /nfs/dbraw/zinc/43/18/20/397431820.db2.gz SIYNSWZMCNEERI-ZDUSSCGKSA-N 0 0 303.362 0.878 10 30 DCEERN C=CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593569328 397396890 /nfs/dbraw/zinc/39/68/90/397396890.db2.gz ZZNVJCPTLDRMSJ-UHFFFAOYSA-N 0 0 301.324 0.861 10 30 DCEERN C=CCCn1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)nn1 ZINC000424893697 397403025 /nfs/dbraw/zinc/40/30/25/397403025.db2.gz PGIVPMREJYVVJM-OLZOCXBDSA-N 0 0 307.398 0.381 10 30 DCEERN C=CCN(CCC#N)S(=O)(=O)CC1(OC)CCOCC1 ZINC000593597792 397404358 /nfs/dbraw/zinc/40/43/58/397404358.db2.gz KIYYQDMJAHVEFN-UHFFFAOYSA-N 0 0 302.396 0.913 10 30 DCEERN C=C(C)[C@@H](CO)n1cc(CN2CCCC[C@@H]2C(=O)OC)nn1 ZINC000603238850 397587830 /nfs/dbraw/zinc/58/78/30/397587830.db2.gz ZVWDRFSTHFODOW-ZIAGYGMSSA-N 0 0 308.382 0.915 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000114740986 158156516 /nfs/dbraw/zinc/15/65/16/158156516.db2.gz KWFYVHXGXWSVIW-GFCCVEGCSA-N 0 0 317.374 0.752 10 30 DCEERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000118134011 158176469 /nfs/dbraw/zinc/17/64/69/158176469.db2.gz 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/nfs/dbraw/zinc/11/06/16/160110616.db2.gz OJCXXFXCPAPLBM-OPGSHWCFSA-N 0 0 315.377 0.546 10 30 DCEERN C[C@@H]1CC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000128678020 286983871 /nfs/dbraw/zinc/98/38/71/286983871.db2.gz SAIKRMRJZBCNKJ-SNVBAGLBSA-N 0 0 306.343 0.727 10 30 DCEERN C=CCN(C(=O)c1ccnc2[nH]cnc21)[C@H]1CCS(=O)(=O)C1 ZINC000342542739 415207623 /nfs/dbraw/zinc/20/76/23/415207623.db2.gz FNRPWAFHMIBKPT-JTQLQIEISA-N 0 0 320.374 0.773 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000286679177 415637802 /nfs/dbraw/zinc/63/78/02/415637802.db2.gz WSGFMZWTBFOHHE-ZIAGYGMSSA-N 0 0 311.426 0.636 10 30 DCEERN N#C[C@@H]1CN(C(=O)NC2CCN(c3ccccn3)CC2)CCO1 ZINC000106332429 415645433 /nfs/dbraw/zinc/64/54/33/415645433.db2.gz YMBPXWQMOBNAPS-CQSZACIVSA-N 0 0 315.377 0.984 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccnn1C ZINC000284214234 415594154 /nfs/dbraw/zinc/59/41/54/415594154.db2.gz SVPXDSXXDSOOAO-WCQYABFASA-N 0 0 306.366 0.134 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cc(OC)ccn2)CC1 ZINC000106859619 415652307 /nfs/dbraw/zinc/65/23/07/415652307.db2.gz PKSQINWOOKPSNP-UHFFFAOYSA-N 0 0 304.394 0.510 10 30 DCEERN C#C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)OCC)C(C)(C)C ZINC000287501073 415669507 /nfs/dbraw/zinc/66/95/07/415669507.db2.gz RSDLDHFYPXBLFQ-SNVBAGLBSA-N 0 0 313.379 0.913 10 30 DCEERN C#CCC(CC#C)C(=O)N[C@@H](CC(C)C)C(=O)NCCOC ZINC000287654554 415671791 /nfs/dbraw/zinc/67/17/91/415671791.db2.gz JQCANJVFGQCUCI-HNNXBMFYSA-N 0 0 306.406 0.943 10 30 DCEERN COc1cc(C#N)ccc1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000120992445 415788982 /nfs/dbraw/zinc/78/89/82/415788982.db2.gz RVALPLMNGWWGEA-ZDUSSCGKSA-N 0 0 309.391 0.690 10 30 DCEERN C=CCCS(=O)(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000121058042 415794984 /nfs/dbraw/zinc/79/49/84/415794984.db2.gz JBOLGYUREUFFGA-SNVBAGLBSA-N 0 0 300.384 0.646 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1nnn(Cc2ccncc2)c1C ZINC000354786413 415818365 /nfs/dbraw/zinc/81/83/65/415818365.db2.gz JZFCUDNOXQPMEY-ZDUSSCGKSA-N 0 0 301.350 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COC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000179001298 416179299 /nfs/dbraw/zinc/17/92/99/416179299.db2.gz FQSXMPUGTIUDMN-AWEZNQCLSA-N 0 0 324.402 0.679 10 30 DCEERN C=CCN(C)C(=O)C(=O)NCc1cccc(OCCOC)c1 ZINC000340346444 416184396 /nfs/dbraw/zinc/18/43/96/416184396.db2.gz QZKZYQPKPWFBHU-UHFFFAOYSA-N 0 0 306.362 0.972 10 30 DCEERN CN1CCC[C@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000329705082 416185998 /nfs/dbraw/zinc/18/59/98/416185998.db2.gz JXTMFWCQCHTIAO-LBPRGKRZSA-N 0 0 301.456 0.880 10 30 DCEERN C=CCN(C(=O)C1CN(CC(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000346222012 416190949 /nfs/dbraw/zinc/19/09/49/416190949.db2.gz OARPXRGVERAZON-LLVKDONJSA-N 0 0 322.377 0.385 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000346565911 416198756 /nfs/dbraw/zinc/19/87/56/416198756.db2.gz NINSWZQKUWMMDS-UHFFFAOYSA-N 0 0 309.391 0.259 10 30 DCEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1cn2ccccc2n1 ZINC000330286775 416200665 /nfs/dbraw/zinc/20/06/65/416200665.db2.gz BUOAESNEBLOIOS-UONOGXRCSA-N 0 0 316.361 0.815 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1=O ZINC000341608396 416213919 /nfs/dbraw/zinc/21/39/19/416213919.db2.gz IITSBWIZAZCUEV-KBPBESRZSA-N 0 0 321.421 0.879 10 30 DCEERN CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000330573226 416215338 /nfs/dbraw/zinc/21/53/38/416215338.db2.gz GKKHVFUYWSRXAE-NSHDSACASA-N 0 0 307.379 0.965 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cn(C(C)C)nn2)CC1 ZINC000347667990 416221861 /nfs/dbraw/zinc/22/18/61/416221861.db2.gz HGJDTMKSLASMNU-UHFFFAOYSA-N 0 0 306.414 0.279 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000329295891 416161410 /nfs/dbraw/zinc/16/14/10/416161410.db2.gz SQOOVEYKFUSYSA-YNEHKIRRSA-N 0 0 301.408 0.861 10 30 DCEERN C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCNC(=O)C2)CC[N@@H+]1C ZINC000329283147 416161854 /nfs/dbraw/zinc/16/18/54/416161854.db2.gz FOVPMFCQXRQOPT-OLZOCXBDSA-N 0 0 311.430 0.587 10 30 DCEERN Cc1nc([C@H]2CCCN2C(=O)NCCN2CCNC(=O)C2)no1 ZINC000329292405 416162344 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321.425 0.965 10 30 DCEERN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000173689684 198240403 /nfs/dbraw/zinc/24/04/03/198240403.db2.gz YCBFWJVQIZDICU-CQSZACIVSA-N 0 0 324.344 0.952 10 30 DCEERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCO2)[nH]1 ZINC000173357515 237156043 /nfs/dbraw/zinc/15/60/43/237156043.db2.gz OLVVKMBZWPIQCH-JQWIXIFHSA-N 0 0 306.370 0.247 10 30 DCEERN N#CCCCCS(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174001668 237166502 /nfs/dbraw/zinc/16/65/02/237166502.db2.gz JFIJQEHBUXFJEM-ZDUSSCGKSA-N 0 0 301.412 0.417 10 30 DCEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000177601851 237215118 /nfs/dbraw/zinc/21/51/18/237215118.db2.gz QPJYNALQSGLOKE-UHFFFAOYSA-N 0 0 304.331 0.796 10 30 DCEERN N#C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)CCO1 ZINC000264449570 238196321 /nfs/dbraw/zinc/19/63/21/238196321.db2.gz CPAMVPOJIROSFV-NSHDSACASA-N 0 0 317.370 0.876 10 30 DCEERN O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCc2cncnc2C1 ZINC000329669988 238647550 /nfs/dbraw/zinc/64/75/50/238647550.db2.gz 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314.367 0.702 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)OC ZINC000273471458 395924022 /nfs/dbraw/zinc/92/40/22/395924022.db2.gz XQDVFPRHYRQGSZ-MRVPVSSYSA-N 0 0 312.347 0.526 10 30 DCEERN Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@@](O)(CO)CO2)cc1 ZINC000142252455 395958917 /nfs/dbraw/zinc/95/89/17/395958917.db2.gz YPNSNRJWNZAGIA-TZMCWYRMSA-N 0 0 316.375 0.603 10 30 DCEERN C=CCN1C(=O)C(=O)N(Cc2cc(C(=O)OC)oc2C)C1=O ZINC000144732019 395962915 /nfs/dbraw/zinc/96/29/15/395962915.db2.gz RVNBVQVKBHNAFN-UHFFFAOYSA-N 0 0 306.274 0.851 10 30 DCEERN CCOC(=O)C(C(=O)OCC)=C(N)NN=Cc1ccc(C)o1 ZINC000254655909 396032175 /nfs/dbraw/zinc/03/21/75/396032175.db2.gz BBIZVQGBQPEDEE-UHFFFAOYSA-N 0 0 309.322 0.808 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000171618811 396120850 /nfs/dbraw/zinc/12/08/50/396120850.db2.gz PVANWFYJOFUYSG-NEPJUHHUSA-N 0 0 306.370 0.315 10 30 DCEERN C=CCNC(=O)CNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000180711054 396234820 /nfs/dbraw/zinc/23/48/20/396234820.db2.gz 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ZINC000588779825 396692118 /nfs/dbraw/zinc/69/21/18/396692118.db2.gz ATGMCUMPGRDIQI-UHFFFAOYSA-N 0 0 301.394 0.390 10 30 DCEERN C=CC[C@@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596200095 396731063 /nfs/dbraw/zinc/73/10/63/396731063.db2.gz ZJZIPNRRAOCVPN-VIFPVBQESA-N 0 0 301.324 0.591 10 30 DCEERN C=C[C@H](CO)NS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000625286866 396830464 /nfs/dbraw/zinc/83/04/64/396830464.db2.gz KHAODYFOLUEVKH-ZIAGYGMSSA-N 0 0 317.382 0.850 10 30 DCEERN C=CCN(C)C(=O)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000625384518 396855876 /nfs/dbraw/zinc/85/58/76/396855876.db2.gz ZQKHPHXJICXAJJ-INIZCTEOSA-N 0 0 304.346 0.977 10 30 DCEERN Cc1onc(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1C#N ZINC000611528661 396881896 /nfs/dbraw/zinc/88/18/96/396881896.db2.gz ZJDNUFIFDHBSQO-IYYTYJHQSA-N 0 0 302.334 0.523 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000634509768 396872124 /nfs/dbraw/zinc/87/21/24/396872124.db2.gz ZFTBCTNPVYIWTC-MRXNPFEDSA-N 0 0 304.394 0.490 10 30 DCEERN C=CCCN(C)C(=O)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000625556257 396922362 /nfs/dbraw/zinc/92/23/62/396922362.db2.gz CWADTLRHLHGLSM-UHFFFAOYSA-N 0 0 317.345 0.782 10 30 DCEERN C=CCOCCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000618513384 396987689 /nfs/dbraw/zinc/98/76/89/396987689.db2.gz ABGMWPANJMRTLO-UHFFFAOYSA-N 0 0 304.412 0.367 10 30 DCEERN C=CCOCCCNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O ZINC000618524764 396988429 /nfs/dbraw/zinc/98/84/29/396988429.db2.gz OZOILJDDGAMPIF-INIZCTEOSA-N 0 0 308.378 0.617 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000600978424 396979453 /nfs/dbraw/zinc/97/94/53/396979453.db2.gz SQQFKVMFBHZYPM-UHFFFAOYSA-N 0 0 316.405 0.517 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCCS(=O)(=O)C2)C1=O ZINC000630984627 397152741 /nfs/dbraw/zinc/15/27/41/397152741.db2.gz XPJCLDIVLRPVBF-MNOVXSKESA-N 0 0 300.380 0.698 10 30 DCEERN COC(=O)C[C@H]1CCCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619588152 397154261 /nfs/dbraw/zinc/15/42/61/397154261.db2.gz ZGULFHALNPXONC-GHMZBOCLSA-N 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/nfs/dbraw/zinc/16/09/17/397160917.db2.gz WFXMWUFBRMVYHQ-ZYHUDNBSSA-N 0 0 310.317 0.242 10 30 DCEERN C=CCOC[C@@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)OC ZINC000601541643 397172323 /nfs/dbraw/zinc/17/23/23/397172323.db2.gz IGNPYTDESNPDKX-CYBMUJFWSA-N 0 0 321.377 0.622 10 30 DCEERN CN1CCN(C(=O)[C@@H]2CCCN(c3cccnc3C#N)C2)CC1 ZINC000377976206 397173306 /nfs/dbraw/zinc/17/33/06/397173306.db2.gz IMWZRYVTACJZAH-CQSZACIVSA-N 0 0 313.405 0.944 10 30 DCEERN C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccncc1 ZINC000619711441 397181602 /nfs/dbraw/zinc/18/16/02/397181602.db2.gz IBEHFQYAGQDNBD-AAEUAGOBSA-N 0 0 310.379 0.244 10 30 DCEERN CCN1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O ZINC000619797460 397193513 /nfs/dbraw/zinc/19/35/13/397193513.db2.gz FHHYXUVKEAIYBH-ZDUSSCGKSA-N 0 0 307.375 0.598 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000619974194 397215821 /nfs/dbraw/zinc/21/58/21/397215821.db2.gz DOIHLACVMFXJJR-KBPBESRZSA-N 0 0 324.425 0.672 10 30 DCEERN C=CC[C@H](CO)CNC(=O)c1ccc(=O)n(CCCOC)n1 ZINC000613252591 397228131 /nfs/dbraw/zinc/22/81/31/397228131.db2.gz INXOUDXKKMSCRK-LBPRGKRZSA-N 0 0 309.366 0.194 10 30 DCEERN C=CCCn1cc(C(=O)N[C@H](C(=O)OC)c2ccnn2C)nn1 ZINC000592697060 397235271 /nfs/dbraw/zinc/23/52/71/397235271.db2.gz MIHJJCICRWVFMR-LBPRGKRZSA-N 0 0 318.337 0.232 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)OC ZINC000601779142 397242727 /nfs/dbraw/zinc/24/27/27/397242727.db2.gz RQFMFTYKWUDRQN-RYUDHWBXSA-N 0 0 312.366 0.105 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(=O)OC ZINC000601781840 397243873 /nfs/dbraw/zinc/24/38/73/397243873.db2.gz MGQNKKJEWPRKKP-AXFHLTTASA-N 0 0 305.396 0.680 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)C(=O)OC ZINC000601785860 397243887 /nfs/dbraw/zinc/24/38/87/397243887.db2.gz DPGPZCYRGZFDBK-CYBMUJFWSA-N 0 0 304.346 0.952 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)OC ZINC000601785556 397244426 /nfs/dbraw/zinc/24/44/26/397244426.db2.gz 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ZINC000620303243 397259186 /nfs/dbraw/zinc/25/91/86/397259186.db2.gz MRTGHTRTUIMHAT-UPJWGTAASA-N 0 0 313.423 0.612 10 30 DCEERN C=CCCOCCNC(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000602290709 397363761 /nfs/dbraw/zinc/36/37/61/397363761.db2.gz XIOGDAKSIDAWGI-AWEZNQCLSA-N 0 0 300.355 0.553 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000613775957 397320772 /nfs/dbraw/zinc/32/07/72/397320772.db2.gz BVPDUGDQWRPOEE-CQSZACIVSA-N 0 0 311.426 0.372 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)NCCn2cc(C(=O)OC)nn2)C1 ZINC000599052913 397328959 /nfs/dbraw/zinc/32/89/59/397328959.db2.gz BIIBDXJAQIKTJU-LLVKDONJSA-N 0 0 307.354 0.672 10 30 DCEERN CO[C@@H]1COC[C@@H]1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000458354121 397429425 /nfs/dbraw/zinc/42/94/25/397429425.db2.gz HOIMCHOHJRRDRE-FIXISWKDSA-N 0 0 312.366 0.778 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000614390123 397429788 /nfs/dbraw/zinc/42/97/88/397429788.db2.gz RQBBQDIIAUPMLN-RYUDHWBXSA-N 0 0 322.365 0.952 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Cc1cnn(C)c1 ZINC000614442797 397438579 /nfs/dbraw/zinc/43/85/79/397438579.db2.gz OOLCHZUEFHNFEN-LSDHHAIUSA-N 0 0 322.409 0.158 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(n2nc(C)nc2C)C1 ZINC000614449753 397440346 /nfs/dbraw/zinc/44/03/46/397440346.db2.gz UWDDUUKZJBBXBO-CQSZACIVSA-N 0 0 305.382 0.749 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000614180168 397393709 /nfs/dbraw/zinc/39/37/09/397393709.db2.gz WTWYXPSOMHUIPZ-HIFRSBDPSA-N 0 0 311.426 0.636 10 30 DCEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCn2c(CO)nnc2C1 ZINC000426461285 397407716 /nfs/dbraw/zinc/40/77/16/397407716.db2.gz RRFIYYFUFIDMHC-GFCCVEGCSA-N 0 0 307.398 0.399 10 30 DCEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)ccc1F ZINC000599492704 397458253 /nfs/dbraw/zinc/45/82/53/397458253.db2.gz CMEDZQSDRVMLIQ-NWDGAFQWSA-N 0 0 300.311 0.125 10 30 DCEERN C=CCSCCNC(=O)N1CCN(c2nncn2C)CC1 ZINC000594226667 397515218 /nfs/dbraw/zinc/51/52/18/397515218.db2.gz NNEFZNOSSCMULN-UHFFFAOYSA-N 0 0 310.427 0.566 10 30 DCEERN CCC(=O)N[C@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 ZINC000609340798 397772379 /nfs/dbraw/zinc/77/23/79/397772379.db2.gz DWBFLBSXNJBQNS-AWEZNQCLSA-N 0 0 321.425 0.675 10 30 DCEERN N#CCCCCS(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000609465216 397775552 /nfs/dbraw/zinc/77/55/52/397775552.db2.gz PBHKAPCTRVZIKQ-UHFFFAOYSA-N 0 0 323.440 0.025 10 30 DCEERN N#Cc1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)nc1 ZINC000610472025 397824195 /nfs/dbraw/zinc/82/41/95/397824195.db2.gz XLTHEBYEBHIKSA-CQSZACIVSA-N 0 0 314.345 0.463 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000172568221 158395540 /nfs/dbraw/zinc/39/55/40/158395540.db2.gz GYYSXIYFMZEKNF-VXGBXAGGSA-N 0 0 322.386 0.971 10 30 DCEERN CNC(=O)[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)C(C)C ZINC000178874452 158465414 /nfs/dbraw/zinc/46/54/14/158465414.db2.gz DQUZKKSQQDTASM-ZDUSSCGKSA-N 0 0 309.391 0.916 10 30 DCEERN N#Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)ccn1 ZINC000192661819 158576236 /nfs/dbraw/zinc/57/62/36/158576236.db2.gz FQGXJUAFAJRLNO-UHFFFAOYSA-N 0 0 322.328 0.537 10 30 DCEERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(C#N)cn2C)n1 ZINC000408043127 160020961 /nfs/dbraw/zinc/02/09/61/160020961.db2.gz VHGKVOWRLXCHCU-LBPRGKRZSA-N 0 0 301.306 0.802 10 30 DCEERN Cn1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000076509228 286919683 /nfs/dbraw/zinc/91/96/83/286919683.db2.gz FPKVHDVBAKVKOQ-UHFFFAOYSA-N 0 0 313.317 0.425 10 30 DCEERN CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000147439179 287030243 /nfs/dbraw/zinc/03/02/43/287030243.db2.gz CREQNMSOZVQPJZ-UHFFFAOYSA-N 0 0 307.375 0.106 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000053414040 415325624 /nfs/dbraw/zinc/32/56/24/415325624.db2.gz JDQYRKWCPQGCEU-JTQLQIEISA-N 0 0 313.317 0.646 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCN(Cc2ccon2)CC1 ZINC000075857892 415453500 /nfs/dbraw/zinc/45/35/00/415453500.db2.gz DMSFYWVWJJQZEY-INIZCTEOSA-N 0 0 319.409 0.847 10 30 DCEERN C=CCCCN(C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076735281 415457185 /nfs/dbraw/zinc/45/71/85/415457185.db2.gz BHYGWBPAJPUHTH-OLZOCXBDSA-N 0 0 302.440 0.918 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCS(N)(=O)=O ZINC000287556103 415669905 /nfs/dbraw/zinc/66/99/05/415669905.db2.gz WQFHLZXECGEPTI-CYBMUJFWSA-N 0 0 309.391 0.209 10 30 DCEERN N#C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000108904652 415682468 /nfs/dbraw/zinc/68/24/68/415682468.db2.gz SPNGPSLLYLEXQG-JTQLQIEISA-N 0 0 316.273 0.921 10 30 DCEERN CN(CC(=O)NCC#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000108867731 415682577 /nfs/dbraw/zinc/68/25/77/415682577.db2.gz FECYNVRNTINJOP-CYBMUJFWSA-N 0 0 322.434 0.693 10 30 DCEERN N#C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000108840651 415683661 /nfs/dbraw/zinc/68/36/61/415683661.db2.gz GOUICZDLPZEADS-ZDUSSCGKSA-N 0 0 307.375 0.773 10 30 DCEERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)CC2 ZINC000114975219 415724989 /nfs/dbraw/zinc/72/49/89/415724989.db2.gz FDLGSLFHWWMEAK-MNOVXSKESA-N 0 0 304.354 0.089 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2c(C)nn(CC)c2C)CC1 ZINC000122224555 415830952 /nfs/dbraw/zinc/83/09/52/415830952.db2.gz IEKBCEFEHTVYMZ-UHFFFAOYSA-N 0 0 319.453 0.940 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000354794720 415820752 /nfs/dbraw/zinc/82/07/52/415820752.db2.gz QHVKZMQPCBDPQB-CQSZACIVSA-N 0 0 323.368 0.721 10 30 DCEERN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2(CO)CC2)cc1 ZINC000354876654 415827731 /nfs/dbraw/zinc/82/77/31/415827731.db2.gz MMECLUOJAUTGNN-UHFFFAOYSA-N 0 0 317.345 0.182 10 30 DCEERN C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCS1(=O)=O ZINC000128196875 415896263 /nfs/dbraw/zinc/89/62/63/415896263.db2.gz UIVNIQRQJGBSBJ-LBPRGKRZSA-N 0 0 322.386 0.777 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000337039775 415896526 /nfs/dbraw/zinc/89/65/26/415896526.db2.gz AFSKVRLMRHNZNK-GFCCVEGCSA-N 0 0 303.366 0.889 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000337042981 415896900 /nfs/dbraw/zinc/89/69/00/415896900.db2.gz CQOGFDGXEKQESG-QWRGUYRKSA-N 0 0 309.366 0.293 10 30 DCEERN CS(=O)(=O)c1cc(N2CCO[C@H](C#N)C2)ccc1[N+](=O)[O-] ZINC000124824285 415853448 /nfs/dbraw/zinc/85/34/48/415853448.db2.gz PPMGHCPPDPTCTC-SNVBAGLBSA-N 0 0 311.319 0.727 10 30 DCEERN CCN(C1CCN(c2cnc(C#N)cn2)CC1)S(C)(=O)=O ZINC000133363693 415943517 /nfs/dbraw/zinc/94/35/17/415943517.db2.gz QBUFLVZVTAPAQJ-UHFFFAOYSA-N 0 0 309.395 0.599 10 30 DCEERN CC#CCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000154450322 415991536 /nfs/dbraw/zinc/99/15/36/415991536.db2.gz HVRJDWFSBSCUCX-UHFFFAOYSA-N 0 0 323.312 0.841 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155285514 415997140 /nfs/dbraw/zinc/99/71/40/415997140.db2.gz ZDTOGJRWTJUBTL-AWEZNQCLSA-N 0 0 315.439 0.550 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)C[C@H](C)C(=O)NC ZINC000337911000 416021899 /nfs/dbraw/zinc/02/18/99/416021899.db2.gz PWWVHQWRGULBSM-RYUDHWBXSA-N 0 0 323.397 0.370 10 30 DCEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000345019859 416030091 /nfs/dbraw/zinc/03/00/91/416030091.db2.gz TUBJLTDBGNMCRA-NWDGAFQWSA-N 0 0 318.443 0.521 10 30 DCEERN N#Cc1cccc(NC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000170701365 416031169 /nfs/dbraw/zinc/03/11/69/416031169.db2.gz ROMGJKBHDZBLAK-CQSZACIVSA-N 0 0 304.350 0.373 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)OCC(=O)N2 ZINC000298853428 416033873 /nfs/dbraw/zinc/03/38/73/416033873.db2.gz DTAGXNOLAYQJEH-VIFPVBQESA-N 0 0 318.333 0.830 10 30 DCEERN C=CCC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000320209280 416119537 /nfs/dbraw/zinc/11/95/37/416119537.db2.gz XLLJTOXXXNQCNS-GFCCVEGCSA-N 0 0 312.391 0.652 10 30 DCEERN Cc1cnn(CCNC(=O)N2CCOC[C@@H]2c2ncnn2C)c1 ZINC000328890436 416137742 /nfs/dbraw/zinc/13/77/42/416137742.db2.gz RQVHAODRGXDOSM-GFCCVEGCSA-N 0 0 319.369 0.308 10 30 DCEERN C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329052420 416145805 /nfs/dbraw/zinc/14/58/05/416145805.db2.gz ABLRIYMVVBZDPQ-YVECIDJPSA-N 0 0 316.423 0.629 10 30 DCEERN CO[C@]1(C)C[C@@H](NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000329124378 416151171 /nfs/dbraw/zinc/15/11/71/416151171.db2.gz LUYJNMRHNGDURC-FUTJPDQTSA-N 0 0 323.397 0.925 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCOC[C@H]1C1CC1 ZINC000329408594 416168025 /nfs/dbraw/zinc/16/80/25/416168025.db2.gz ZYLKLGQVJSUROR-RWMBFGLXSA-N 0 0 307.354 0.243 10 30 DCEERN C[C@@H]1N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCOC1(C)C ZINC000329505042 416172711 /nfs/dbraw/zinc/17/27/11/416172711.db2.gz WQXXYEXCECONRO-SDDRHHMPSA-N 0 0 309.370 0.631 10 30 DCEERN C=CCCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000346327090 416191943 /nfs/dbraw/zinc/19/19/43/416191943.db2.gz SFLVXEYEHVOIFC-GFCCVEGCSA-N 0 0 318.443 0.523 10 30 DCEERN C=CCNC(=O)CNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000347907428 416227881 /nfs/dbraw/zinc/22/78/81/416227881.db2.gz YHKGGXRHUZVGSN-GFCCVEGCSA-N 0 0 302.378 0.960 10 30 DCEERN CN(C[C@@H]1CCC[C@H]1O)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329249171 416158538 /nfs/dbraw/zinc/15/85/38/416158538.db2.gz AQBUHSNRKQUVTG-WUHRBBMRSA-N 0 0 309.370 0.225 10 30 DCEERN O=C(N[C@H]1CCCOC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329262217 416159542 /nfs/dbraw/zinc/15/95/42/416159542.db2.gz GBOVCYGMLGZYIJ-RWMBFGLXSA-N 0 0 312.366 0.528 10 30 DCEERN CC(C)(CNC(=O)[C@@H]1CNC(=O)C1)N1CCS(=O)CC1 ZINC000329319783 416163479 /nfs/dbraw/zinc/16/34/79/416163479.db2.gz TYYKIGDQMFBFPE-JTQLQIEISA-N 0 0 301.412 0.762 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)CCCN1C(=O)CNC1=O ZINC000348550994 416241120 /nfs/dbraw/zinc/24/11/20/416241120.db2.gz XBWPEFBZGAROGR-UHFFFAOYSA-N 0 0 307.272 0.895 10 30 DCEERN C=C(C)COCCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331033017 416253749 /nfs/dbraw/zinc/25/37/49/416253749.db2.gz IUVAKQXBTBZCJT-LLVKDONJSA-N 0 0 305.400 0.117 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000189672226 416267462 /nfs/dbraw/zinc/26/74/62/416267462.db2.gz XWZNKOMICXFUMF-JTQLQIEISA-N 0 0 300.384 0.646 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2CCO[C@H]2C)C1=O ZINC000350321672 416267604 /nfs/dbraw/zinc/26/76/04/416267604.db2.gz RRFUDJIYPNRRDE-SRVKXCTJSA-N 0 0 302.396 0.212 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)CO)cc2C1=O ZINC000351465075 416274856 /nfs/dbraw/zinc/27/48/56/416274856.db2.gz YPZOZSHZGXUJMV-UHFFFAOYSA-N 0 0 302.330 0.969 10 30 DCEERN C=CCNc1nnc(S(=O)(=O)Cc2ccnc(C)n2)s1 ZINC000359170267 416309643 /nfs/dbraw/zinc/30/96/43/416309643.db2.gz PHTFUYFBBFUXCC-UHFFFAOYSA-N 0 0 311.392 1.208 10 30 DCEERN CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[C@@H]1C ZINC000191289975 416285290 /nfs/dbraw/zinc/28/52/90/416285290.db2.gz KKGOAWIJDWJBRY-NWDGAFQWSA-N 0 0 319.365 0.619 10 30 DCEERN C=CCN(CCOC)C(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000191971057 416292745 /nfs/dbraw/zinc/29/27/45/416292745.db2.gz BCAUGHREFIQRIF-CYBMUJFWSA-N 0 0 318.439 0.852 10 30 DCEERN C#CCOc1ccccc1CNC(=O)N1CCNC(=O)CC1 ZINC000265124940 416340034 /nfs/dbraw/zinc/34/00/34/416340034.db2.gz DIHNBJPQVCHLFO-UHFFFAOYSA-N 0 0 301.346 0.730 10 30 DCEERN CCCCCCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000195385239 416326062 /nfs/dbraw/zinc/32/60/62/416326062.db2.gz HKFNLQTZYOJWAF-VXGBXAGGSA-N 0 0 306.428 0.861 10 30 DCEERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1cc(C#N)ccn1 ZINC000436011277 416546114 /nfs/dbraw/zinc/54/61/14/416546114.db2.gz AZHKBRSDMWPPCW-UHFFFAOYSA-N 0 0 308.301 0.779 10 30 DCEERN C=CCNc1ncc(C(=O)N[C@H](CCF)C(=O)OC)s1 ZINC000593897884 416548956 /nfs/dbraw/zinc/54/89/56/416548956.db2.gz KFRMQKZMKWUHBR-MRVPVSSYSA-N 0 0 301.343 1.372 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000362665144 416568468 /nfs/dbraw/zinc/56/84/68/416568468.db2.gz NUZJEGQYIYBGHI-RKDXNWHRSA-N 0 0 324.768 1.475 10 30 DCEERN C[C@@H](C(=O)N1CC(=O)N(C)c2ccccc21)n1cnc(C#N)n1 ZINC000542483808 416624471 /nfs/dbraw/zinc/62/44/71/416624471.db2.gz IXXDODILQSVKGL-JTQLQIEISA-N 0 0 310.317 0.720 10 30 DCEERN C=C[C@H](C)NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623747518 416887920 /nfs/dbraw/zinc/88/79/20/416887920.db2.gz 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/nfs/dbraw/zinc/05/66/36/417056636.db2.gz LCOPTRPDOJNLIO-NSHDSACASA-N 0 0 304.412 0.398 10 30 DCEERN C#CCCS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000377403081 417057316 /nfs/dbraw/zinc/05/73/16/417057316.db2.gz WKKBNZPXWRVQBZ-AWEZNQCLSA-N 0 0 300.424 0.526 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000567263757 417060895 /nfs/dbraw/zinc/06/08/95/417060895.db2.gz KSGZEKBJMZQMJM-STQMWFEESA-N 0 0 310.398 0.586 10 30 DCEERN C[C@@H](C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)n1cnc(C#N)n1 ZINC000524094285 417095717 /nfs/dbraw/zinc/09/57/17/417095717.db2.gz RYNDHIRZVQTQPT-TYNCELHUSA-N 0 0 319.365 0.507 10 30 DCEERN C=C[C@H](CO)NC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624929928 417137810 /nfs/dbraw/zinc/13/78/10/417137810.db2.gz TXDCABSTGYFURI-HUUCEWRRSA-N 0 0 320.393 0.129 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000408274541 417150425 /nfs/dbraw/zinc/15/04/25/417150425.db2.gz LLYRSPZAHZLLLQ-VNQPRFMTSA-N 0 0 309.410 0.921 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCN(CC)C(=O)C1 ZINC000632553723 417158652 /nfs/dbraw/zinc/15/86/52/417158652.db2.gz ALDROUGXVXLHTD-UHFFFAOYSA-N 0 0 309.410 0.786 10 30 DCEERN C=CCCn1cc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)nn1 ZINC000617253661 417186793 /nfs/dbraw/zinc/18/67/93/417186793.db2.gz WQZDHTGPTUPCDP-GFCCVEGCSA-N 0 0 301.354 0.608 10 30 DCEERN N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@](F)(CO)C1 ZINC000451515552 417358694 /nfs/dbraw/zinc/35/86/94/417358694.db2.gz GQFAVNTYJFILGC-CYBMUJFWSA-N 0 0 316.329 0.933 10 30 DCEERN COCC1(O)CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452565411 417489965 /nfs/dbraw/zinc/48/99/65/417489965.db2.gz GHWMNQSHWBNMOX-CQSZACIVSA-N 0 0 312.366 0.468 10 30 DCEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1COC[C@H]1O ZINC000453979631 417541805 /nfs/dbraw/zinc/54/18/05/417541805.db2.gz PYTBSXAGVYPEQE-ZIAGYGMSSA-N 0 0 304.346 0.620 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000622891883 417516455 /nfs/dbraw/zinc/51/64/55/417516455.db2.gz 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/nfs/dbraw/zinc/62/69/33/417626933.db2.gz GHMOUYIPFILUFY-QWHCGFSZSA-N 0 0 300.424 0.530 10 30 DCEERN CC(=O)NC1CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000191729597 261137938 /nfs/dbraw/zinc/13/79/38/261137938.db2.gz OCXZIKGZNGIADO-UHFFFAOYSA-N 0 0 307.375 0.152 10 30 DCEERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000230337815 261153674 /nfs/dbraw/zinc/15/36/74/261153674.db2.gz LHRBFRUYEARWMO-BDAKNGLRSA-N 0 0 313.404 0.894 10 30 DCEERN Cc1ncc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1C#N ZINC000391583450 262161033 /nfs/dbraw/zinc/16/10/33/262161033.db2.gz PGSBUULRLQAYHR-LBPRGKRZSA-N 0 0 308.363 0.209 10 30 DCEERN CO[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1O ZINC000395957498 262163541 /nfs/dbraw/zinc/16/35/41/262163541.db2.gz OGYATNONJXZXLL-VXGBXAGGSA-N 0 0 300.311 0.078 10 30 DCEERN CCOC(=O)CN1CCCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448859610 267118675 /nfs/dbraw/zinc/11/86/75/267118675.db2.gz ZAGAQYIARRRZLM-UHFFFAOYSA-N 0 0 318.377 0.608 10 30 DCEERN C=CCCCS(=O)(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000489862345 277830112 /nfs/dbraw/zinc/83/01/12/277830112.db2.gz PRRRLTGLFCQCPJ-GFCCVEGCSA-N 0 0 324.468 0.686 10 30 DCEERN C[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)n1cnc(C#N)n1 ZINC000545198398 287988389 /nfs/dbraw/zinc/98/83/89/287988389.db2.gz PDJVIZCAFNWRGN-DNIRFERGSA-N 0 0 301.350 0.785 10 30 DCEERN C=C[C@](C)(O)CC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000356242452 277919867 /nfs/dbraw/zinc/91/98/67/277919867.db2.gz GMIPZDWGRAEQTF-AWEZNQCLSA-N 0 0 316.423 0.340 10 30 DCEERN CCN(CC)C(=O)CN1CCN(c2ccncc2C#N)CC1 ZINC000546653570 288023898 /nfs/dbraw/zinc/02/38/98/288023898.db2.gz WPWWIUGGSGLJPY-UHFFFAOYSA-N 0 0 301.394 0.944 10 30 DCEERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C[C@@H]21 ZINC000328889701 290077840 /nfs/dbraw/zinc/07/78/40/290077840.db2.gz RAMURUKBANDTBL-KWCYVHTRSA-N 0 0 322.409 0.069 10 30 DCEERN Cn1c(NC[C@H]2CCO[C@@H]2C(C)(C)C)c(C#N)c(=O)n(C)c1=O ZINC000097165751 294165156 /nfs/dbraw/zinc/16/51/56/294165156.db2.gz APLKBXCRBUUKGZ-PWSUYJOCSA-N 0 0 320.393 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/nfs/dbraw/zinc/10/10/04/336101004.db2.gz WKIXHVAHMICPAO-NSHDSACASA-N 0 0 323.374 0.286 10 30 DCEERN CN1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@@H]1C#N ZINC000329974353 336101897 /nfs/dbraw/zinc/10/18/97/336101897.db2.gz CZAULOJFHINZFL-RYUDHWBXSA-N 0 0 314.411 0.007 10 30 DCEERN O=C(CCNC(=O)N1CCO[C@H](C2CC2)C1)N1CCOCC1 ZINC000330140832 336117359 /nfs/dbraw/zinc/11/73/59/336117359.db2.gz PSOVPNVNIXXMDF-ZDUSSCGKSA-N 0 0 311.382 0.260 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000330218259 336125496 /nfs/dbraw/zinc/12/54/96/336125496.db2.gz JECGPXIYWJZTSF-UMSGYPCISA-N 0 0 307.350 0.994 10 30 DCEERN C[C@@H]1CCN(C(=O)NCC(=O)NCC2CC2)CCS1(=O)=O ZINC000330259284 336130626 /nfs/dbraw/zinc/13/06/26/336130626.db2.gz RYSWGEOGLHVUFA-SNVBAGLBSA-N 0 0 317.411 0.776 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@H](O)C12CCCC2 ZINC000330346430 336173390 /nfs/dbraw/zinc/17/33/90/336173390.db2.gz GNOLNZJTOHPZQW-XQQFMLRXSA-N 0 0 321.381 0.511 10 30 DCEERN C#CCNC(=O)CNc1cc(C(C)=O)ccc1S(C)(=O)=O ZINC000302737433 336367356 /nfs/dbraw/zinc/36/73/56/336367356.db2.gz PJMPISCWDNQRNV-UHFFFAOYSA-N 0 0 308.359 0.454 10 30 DCEERN C#CCNC(=O)CNc1c2cnn(C)c2ncc1C(=O)OCC ZINC000302749833 336367856 /nfs/dbraw/zinc/36/78/56/336367856.db2.gz UCKWVPJSJZXUJK-UHFFFAOYSA-N 0 0 315.333 0.306 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000354190390 336462953 /nfs/dbraw/zinc/46/29/53/336462953.db2.gz NBQBGWLJORGIIR-SECBINFHSA-N 0 0 319.317 0.009 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000582675886 337119886 /nfs/dbraw/zinc/11/98/86/337119886.db2.gz AVYFOLCAUCOXLI-LBPRGKRZSA-N 0 0 318.439 0.741 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000425846111 338017792 /nfs/dbraw/zinc/01/77/92/338017792.db2.gz BLGRHADJCBPGBA-AVGNSLFASA-N 0 0 312.366 0.551 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CCCO)CC1 ZINC000425902812 338018600 /nfs/dbraw/zinc/01/86/00/338018600.db2.gz WJLLLUSREMXNFZ-GJZGRUSLSA-N 0 0 324.421 0.705 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000425899390 338018658 /nfs/dbraw/zinc/01/86/58/338018658.db2.gz OJPJDTOFSHSXRT-RWMBFGLXSA-N 0 0 310.394 0.456 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCn1cccn1 ZINC000425909919 338018838 /nfs/dbraw/zinc/01/88/38/338018838.db2.gz RRJUJKYGLJHFKP-STQMWFEESA-N 0 0 306.366 0.049 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nnc(C3CC3)s2)CC1 ZINC000432122420 338146376 /nfs/dbraw/zinc/14/63/76/338146376.db2.gz MHMCDSYXYRARHA-UHFFFAOYSA-N 0 0 307.423 0.840 10 30 DCEERN CC#CCCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000440720787 338395970 /nfs/dbraw/zinc/39/59/70/338395970.db2.gz ZIURMCDNPJPVOS-UHFFFAOYSA-N 0 0 313.317 0.130 10 30 DCEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000529742450 340769191 /nfs/dbraw/zinc/76/91/91/340769191.db2.gz YKCKOWUROBJUTB-SWLSCSKDSA-N 0 0 313.398 0.372 10 30 DCEERN C=CCN(C(=O)c1cccc2ncnn21)[C@@H]1CCS(=O)(=O)C1 ZINC000543848738 341061506 /nfs/dbraw/zinc/06/15/06/341061506.db2.gz QMJWZQYISKPATP-LLVKDONJSA-N 0 0 320.374 0.545 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000546696703 341179276 /nfs/dbraw/zinc/17/92/76/341179276.db2.gz LLRAEDQESUUBIG-RDJZCZTQSA-N 0 0 304.390 0.677 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000567729741 341630328 /nfs/dbraw/zinc/63/03/28/341630328.db2.gz ZWRVFSMXTCPSLL-QNSTZXKLSA-N 0 0 307.394 0.886 10 30 DCEERN Cc1c(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnn1C ZINC000366992577 533853916 /nfs/dbraw/zinc/85/39/16/533853916.db2.gz AKOBSJSGCLTPRE-CQSZACIVSA-N 0 0 302.382 0.610 10 30 DCEERN C=CCC[C@@H](CO)NS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000320299370 517328883 /nfs/dbraw/zinc/32/88/83/517328883.db2.gz RUFZRUYLYLIXEN-VIFPVBQESA-N 0 0 317.367 0.192 10 30 DCEERN CC(C)(O)CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364991557 519359087 /nfs/dbraw/zinc/35/90/87/519359087.db2.gz RARPLKONYCQJHU-CQSZACIVSA-N 0 0 315.373 0.936 10 30 DCEERN CCOCCS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000170657581 520047790 /nfs/dbraw/zinc/04/77/90/520047790.db2.gz WSQAQACSQYZJHF-UHFFFAOYSA-N 0 0 324.406 0.442 10 30 DCEERN N#CCOc1ccc(CNC(=O)N2CCNC(=O)CC2)cc1 ZINC000171684197 534696404 /nfs/dbraw/zinc/69/64/04/534696404.db2.gz JBSCRQOASROICC-UHFFFAOYSA-N 0 0 302.334 0.620 10 30 DCEERN N#CCSCC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183060672 534703298 /nfs/dbraw/zinc/70/32/98/534703298.db2.gz UKASTDMKIYHCEA-GFCCVEGCSA-N 0 0 304.375 0.950 10 30 DCEERN C=CCN1CC(=O)N([C@@H]2CCCN(c3cnn(C)c3)C2)C1=O ZINC000372912673 526413132 /nfs/dbraw/zinc/41/31/32/526413132.db2.gz ZAIHECITIYYTPU-GFCCVEGCSA-N 0 0 303.366 0.839 10 30 DCEERN C=CCN1CC(=O)N([C@H]2CCCN(c3ncccn3)C2)C1=O ZINC000372935681 526413607 /nfs/dbraw/zinc/41/36/07/526413607.db2.gz SVKWGMZZWZATDB-LBPRGKRZSA-N 0 0 301.350 0.896 10 30 DCEERN C=CCN1CC[C@H](N(C)CC(=O)N2CCOC[C@@H]2C2CC2)C1=O ZINC000368530835 526499691 /nfs/dbraw/zinc/49/96/91/526499691.db2.gz QHKDNUHIZFWLTH-LSDHHAIUSA-N 0 0 321.421 0.343 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nccn2C(C)C)CC1 ZINC000356837421 526538362 /nfs/dbraw/zinc/53/83/62/526538362.db2.gz NXAHWWNNVAXLPW-UHFFFAOYSA-N 0 0 305.426 0.884 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000247196960 526602321 /nfs/dbraw/zinc/60/23/21/526602321.db2.gz OQSIIEQOLXDKEK-CHWSQXEVSA-N 0 0 312.414 0.039 10 30 DCEERN C#CCC(CC#C)C(=O)N1CCCN(CC(=O)OCC)CC1 ZINC000368575009 526669665 /nfs/dbraw/zinc/66/96/65/526669665.db2.gz MIKCRGYGAVFAGA-UHFFFAOYSA-N 0 0 304.390 0.747 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000342198426 526698686 /nfs/dbraw/zinc/69/86/86/526698686.db2.gz YGRCDKOLJFIRDW-NEPJUHHUSA-N 0 0 316.423 0.398 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000113298871 526712072 /nfs/dbraw/zinc/71/20/72/526712072.db2.gz SLYWBDQYKNOTEU-CYBMUJFWSA-N 0 0 317.374 0.584 10 30 DCEERN C=CCOCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000360691866 526718024 /nfs/dbraw/zinc/71/80/24/526718024.db2.gz 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C=CCOCCCNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000618522738 396988409 /nfs/dbraw/zinc/98/84/09/396988409.db2.gz SAIQDOAEPPONDZ-UHFFFAOYSA-N 0 0 312.391 0.965 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000612256507 397017828 /nfs/dbraw/zinc/01/78/28/397017828.db2.gz BRVUFTJAXDMDPT-KKUMJFAQSA-N 0 0 310.394 0.864 10 30 DCEERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(C#N)n1C ZINC000591664792 396969547 /nfs/dbraw/zinc/96/95/47/396969547.db2.gz IBJQEUKTXPKDBX-OAHLLOKOSA-N 0 0 304.350 0.264 10 30 DCEERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C#N)[nH]c1C ZINC000591675412 396973878 /nfs/dbraw/zinc/97/38/78/396973878.db2.gz LGIKAEUKCLLUMQ-HNNXBMFYSA-N 0 0 304.350 0.562 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000625684489 396974466 /nfs/dbraw/zinc/97/44/66/396974466.db2.gz SGWIFYYJZMUQCI-AWEZNQCLSA-N 0 0 323.437 0.638 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000612413530 397047564 /nfs/dbraw/zinc/04/75/64/397047564.db2.gz BVWYRUDFOPPUPM-INIZCTEOSA-N 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397244517 /nfs/dbraw/zinc/24/45/17/397244517.db2.gz SOIZABNJFFTLML-CYBMUJFWSA-N 0 0 322.361 0.876 10 30 DCEERN CC#CC[C@@H](CO)NC(=O)CSCC(=O)OC(C)(C)C ZINC000592922531 397288054 /nfs/dbraw/zinc/28/80/54/397288054.db2.gz CFJYKCTWTMUOAW-NSHDSACASA-N 0 0 301.408 0.952 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000620245956 397253420 /nfs/dbraw/zinc/25/34/20/397253420.db2.gz CRXXEUASLBARKQ-HUUCEWRRSA-N 0 0 321.421 0.928 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000613963305 397353880 /nfs/dbraw/zinc/35/38/80/397353880.db2.gz GTBMQLRNMARXRG-JTQLQIEISA-N 0 0 321.299 0.648 10 30 DCEERN C=CCOCCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602342667 397378013 /nfs/dbraw/zinc/37/80/13/397378013.db2.gz VUPJSPUASOCIFP-NEPJUHHUSA-N 0 0 300.355 0.551 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)COCc2nccn2C)C1=O ZINC000614393156 397431928 /nfs/dbraw/zinc/43/19/28/397431928.db2.gz ACCVINQOGPVZDP-GFCCVEGCSA-N 0 0 306.366 0.182 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Cc1cnn(C)c1 ZINC000614442792 397439202 /nfs/dbraw/zinc/43/92/02/397439202.db2.gz OOLCHZUEFHNFEN-CABCVRRESA-N 0 0 322.409 0.158 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631944 397490610 /nfs/dbraw/zinc/49/06/10/397490610.db2.gz JXMPFJVAPLCGOM-OSCVLKFXSA-N 0 0 313.423 0.372 10 30 DCEERN C=CCN(CCC#N)C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000599962892 397553831 /nfs/dbraw/zinc/55/38/31/397553831.db2.gz XOLAFODMOUZKQW-UHFFFAOYSA-N 0 0 322.409 0.724 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000579647566 397585952 /nfs/dbraw/zinc/58/59/52/397585952.db2.gz OUXLPZGAMFKHIV-ZDUSSCGKSA-N 0 0 319.361 0.661 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494391723 397531672 /nfs/dbraw/zinc/53/16/72/397531672.db2.gz IIIFPACDYXZYKS-UHFFFAOYSA-N 0 0 323.437 0.756 10 30 DCEERN C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1C(=O)CCC1=O ZINC000609229509 397764786 /nfs/dbraw/zinc/76/47/86/397764786.db2.gz 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C=CCCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000286679174 415635547 /nfs/dbraw/zinc/63/55/47/415635547.db2.gz WSGFMZWTBFOHHE-UONOGXRCSA-N 0 0 311.426 0.636 10 30 DCEERN C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000287024025 415639000 /nfs/dbraw/zinc/63/90/00/415639000.db2.gz NRBWQEUGSGDUPH-ZDUSSCGKSA-N 0 0 309.410 0.928 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)NCC2(C)COC2)c1 ZINC000112758173 415716841 /nfs/dbraw/zinc/71/68/41/415716841.db2.gz UKNWZRMMBFDQKR-UHFFFAOYSA-N 0 0 302.330 0.790 10 30 DCEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120946456 415788246 /nfs/dbraw/zinc/78/82/46/415788246.db2.gz PLNRPDHGXJBVOV-LBPRGKRZSA-N 0 0 320.320 0.760 10 30 DCEERN C=CCCCS(=O)(=O)N1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000294761775 415877124 /nfs/dbraw/zinc/87/71/24/415877124.db2.gz YKKWCLPMRLDNEP-UHFFFAOYSA-N 0 0 300.384 0.573 10 30 DCEERN C#CCCOc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000295435510 415891316 /nfs/dbraw/zinc/89/13/16/415891316.db2.gz MRTMZILAOZHMGJ-ZDUSSCGKSA-N 0 0 300.314 0.624 10 30 DCEERN CC(C)NC(=O)CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128407674 415899152 /nfs/dbraw/zinc/89/91/52/415899152.db2.gz POUQXEISLUEHGG-UHFFFAOYSA-N 0 0 323.418 0.788 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000355134896 415855450 /nfs/dbraw/zinc/85/54/50/415855450.db2.gz COVHZTUZTBEYSU-UONOGXRCSA-N 0 0 324.425 0.183 10 30 DCEERN CN1CCO[C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000135441631 415959443 /nfs/dbraw/zinc/95/94/43/415959443.db2.gz MNSVIYGDLWHFFT-ZDUSSCGKSA-N 0 0 302.330 0.214 10 30 DCEERN C=CCCN(C)C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000297675209 415969031 /nfs/dbraw/zinc/96/90/31/415969031.db2.gz GPOVROARPHPAAZ-UHFFFAOYSA-N 0 0 321.299 0.254 10 30 DCEERN CC#CCCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337686762 415995441 /nfs/dbraw/zinc/99/54/41/415995441.db2.gz QOOWBJCDLVUAGQ-VXGBXAGGSA-N 0 0 301.412 0.417 10 30 DCEERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)[nH]1 ZINC000173576432 416062098 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CO[C@H]1C[C@@H](CO)N(C(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000329082803 416147665 /nfs/dbraw/zinc/14/76/65/416147665.db2.gz SGZVKDHUQQJHKP-AGIUHOORSA-N 0 0 308.382 0.756 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000339902730 416167877 /nfs/dbraw/zinc/16/78/77/416167877.db2.gz YMNGAVPZONZZJT-LLVKDONJSA-N 0 0 305.382 0.826 10 30 DCEERN [O-]C(NCC1(O)CCCCCC1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329525691 416173905 /nfs/dbraw/zinc/17/39/05/416173905.db2.gz SRBZIVFSXUDNON-QWHCGFSZSA-N 0 0 323.397 0.807 10 30 DCEERN CC(=O)NC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000179711241 416191637 /nfs/dbraw/zinc/19/16/37/416191637.db2.gz KUEJDEDRTZUVHE-HNNXBMFYSA-N 0 0 313.361 0.543 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C)nn2C)CC1 ZINC000330429617 416206866 /nfs/dbraw/zinc/20/68/66/416206866.db2.gz MEDLAMHVBQIXSJ-UHFFFAOYSA-N 0 0 320.397 0.180 10 30 DCEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000347506692 416218857 /nfs/dbraw/zinc/21/88/57/416218857.db2.gz 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CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000362665141 416568652 /nfs/dbraw/zinc/56/86/52/416568652.db2.gz NUZJEGQYIYBGHI-IUCAKERBSA-N 0 0 324.768 1.475 10 30 DCEERN C=CCN(CC(=O)OCC)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000363178017 416574161 /nfs/dbraw/zinc/57/41/61/416574161.db2.gz BXWUSJLYYGKJGM-YHWZYXNKSA-N 0 0 309.362 0.806 10 30 DCEERN C[C@@H](C#N)CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000541947370 416619677 /nfs/dbraw/zinc/61/96/77/416619677.db2.gz DHUCKGZPCFKEOT-ZDUSSCGKSA-N 0 0 321.425 0.390 10 30 DCEERN C=CCNC(=O)CNc1cc(CCC(=O)OCC)nc(C)n1 ZINC000601137927 416620298 /nfs/dbraw/zinc/62/02/98/416620298.db2.gz KHCNZHNJUJLDSM-UHFFFAOYSA-N 0 0 306.366 0.995 10 30 DCEERN N#CCCn1ccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000366742314 416634959 /nfs/dbraw/zinc/63/49/59/416634959.db2.gz CUJVUERGQILPAL-UHFFFAOYSA-N 0 0 301.350 1.280 10 30 DCEERN COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000615255965 416795030 /nfs/dbraw/zinc/79/50/30/416795030.db2.gz CIWOWCWIXMDZSP-UHFFFAOYSA-N 0 0 319.365 0.475 10 30 DCEERN C=CC(C)(C)CCNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000623910856 416919884 /nfs/dbraw/zinc/91/98/84/416919884.db2.gz DLBDMMJHFJOZRX-UHFFFAOYSA-N 0 0 303.428 0.779 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(S(=O)(=O)CC)C1 ZINC000615889152 416928038 /nfs/dbraw/zinc/92/80/38/416928038.db2.gz OMWDXLFSIJDATC-LBPRGKRZSA-N 0 0 302.396 0.103 10 30 DCEERN C=C(C)CN(C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632186857 416951000 /nfs/dbraw/zinc/95/10/00/416951000.db2.gz RMJCIELVDWNMER-LLVKDONJSA-N 0 0 310.441 0.106 10 30 DCEERN N#Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1O ZINC000447756942 417023915 /nfs/dbraw/zinc/02/39/15/417023915.db2.gz HNGADCTXUIYKFB-OAHLLOKOSA-N 0 0 314.301 0.078 10 30 DCEERN C=C(CNS(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000632337711 417030640 /nfs/dbraw/zinc/03/06/40/417030640.db2.gz UTCIAHQOKXCJJM-HNNXBMFYSA-N 0 0 310.419 0.950 10 30 DCEERN Cn1ncc2c1C[C@H](C(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 ZINC000373989821 416972465 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C=C[C@@](C)(CCOC)C(=O)N1CCN(c2nccnn2)CC1 ZINC000628381728 417613822 /nfs/dbraw/zinc/61/38/22/417613822.db2.gz RFTKHMYJIOJDDD-HNNXBMFYSA-N 0 0 305.382 0.749 10 30 DCEERN Cc1noc(CN2CCN(C(=O)C3(C#N)CC(C)C3)CC2)n1 ZINC000531822233 417642223 /nfs/dbraw/zinc/64/22/23/417642223.db2.gz HUFZOTAWTLGXGO-UHFFFAOYSA-N 0 0 303.366 0.962 10 30 DCEERN C=CCC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)OCC ZINC000456614057 417656831 /nfs/dbraw/zinc/65/68/31/417656831.db2.gz USCNENOHMGMOGQ-GHMZBOCLSA-N 0 0 305.338 0.725 10 30 DCEERN C=CCC1(C(=O)N2CCC(NS(N)(=O)=O)CC2)CCC1 ZINC000629187863 417756838 /nfs/dbraw/zinc/75/68/38/417756838.db2.gz NEIHLWNJXZJNSA-UHFFFAOYSA-N 0 0 301.412 0.517 10 30 DCEERN C=CCn1cc(C(=O)NCC(C)(C)C(=O)N2CCCC2)nn1 ZINC000629063159 417740824 /nfs/dbraw/zinc/74/08/24/417740824.db2.gz WLGUVEVEKWEFNE-UHFFFAOYSA-N 0 0 305.382 0.843 10 30 DCEERN CC(=O)N1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000320302687 261177085 /nfs/dbraw/zinc/17/70/85/261177085.db2.gz DWHAOYPHCXHDRI-UHFFFAOYSA-N 0 0 322.390 0.505 10 30 DCEERN CCN1C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1=O ZINC000391573933 262160904 /nfs/dbraw/zinc/16/09/04/262160904.db2.gz OKBUROMDHLGOCA-JTQLQIEISA-N 0 0 311.338 0.596 10 30 DCEERN CNC(=O)[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(C)C ZINC000178928113 264273301 /nfs/dbraw/zinc/27/33/01/264273301.db2.gz SKWSIOKDALMMFL-CYBMUJFWSA-N 0 0 309.391 0.916 10 30 DCEERN Cn1nc2c(cc1=O)CN(C(=O)Cc1cccc(C#N)c1)CC2 ZINC000531396223 268130629 /nfs/dbraw/zinc/13/06/29/268130629.db2.gz ZKYNVWGSXKAJHB-UHFFFAOYSA-N 0 0 308.341 0.779 10 30 DCEERN N#Cc1cccc(CC(=O)N2CCN(CCn3cncn3)CC2)c1 ZINC000530675501 268273313 /nfs/dbraw/zinc/27/33/13/268273313.db2.gz WYLHUCOWWGFMAK-UHFFFAOYSA-N 0 0 324.388 0.537 10 30 DCEERN CC1(C#N)CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000368427677 278170918 /nfs/dbraw/zinc/17/09/18/278170918.db2.gz ADXNHCHRUQAIMP-NSHDSACASA-N 0 0 301.350 0.915 10 30 DCEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000358331942 278377124 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N#CCOc1cccc(CC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368221963 534697300 /nfs/dbraw/zinc/69/73/00/534697300.db2.gz OPIAAMYEVXAGNV-OAHLLOKOSA-N 0 0 315.373 0.674 10 30 DCEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H](O)C(F)F ZINC000357405497 526378159 /nfs/dbraw/zinc/37/81/59/526378159.db2.gz CQVXVMXVYRGBQG-AMIZOPFISA-N 0 0 306.309 0.990 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CCC(N)=O)cc2C1=O ZINC000343492319 526407861 /nfs/dbraw/zinc/40/78/61/526407861.db2.gz HKDVQARUIYDQPW-UHFFFAOYSA-N 0 0 315.329 0.416 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)C2CN(CC(F)(F)F)C2)C1=O ZINC000357680173 526459798 /nfs/dbraw/zinc/45/97/98/526459798.db2.gz WLOGKVLUKDQEFE-LLVKDONJSA-N 0 0 319.327 0.726 10 30 DCEERN C=CCN1CC[C@@H](N(C)c2ccc3ncc([N+](=O)[O-])n3n2)C1=O ZINC000358658463 526475174 /nfs/dbraw/zinc/47/51/74/526475174.db2.gz DMVHGNFQOAQRME-SNVBAGLBSA-N 0 0 316.321 0.861 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2CCCCC2)C1=O ZINC000283686076 526489950 /nfs/dbraw/zinc/48/99/50/526489950.db2.gz 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/nfs/dbraw/zinc/58/46/67/526584667.db2.gz RZFOYWOSPCYNIC-OAHLLOKOSA-N 0 0 319.405 0.940 10 30 DCEERN C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000375570113 526595016 /nfs/dbraw/zinc/59/50/16/526595016.db2.gz HDKFBLBQYQLXBO-DMDPSCGWSA-N 0 0 309.366 0.272 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173624051 526611881 /nfs/dbraw/zinc/61/18/81/526611881.db2.gz OPACXSIHURVXOH-MNOVXSKESA-N 0 0 320.397 0.665 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000184360136 526692199 /nfs/dbraw/zinc/69/21/99/526692199.db2.gz FFJQOIJXSVZMOW-NEPJUHHUSA-N 0 0 316.423 0.350 10 30 DCEERN C#CCCCNC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000367824553 526710257 /nfs/dbraw/zinc/71/02/57/526710257.db2.gz YEOUOCCQSVSRTA-UHFFFAOYSA-N 0 0 313.423 0.656 10 30 DCEERN C=CCOCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000369997701 526779575 /nfs/dbraw/zinc/77/95/75/526779575.db2.gz PSBYOQCLGAHDMF-ZDUSSCGKSA-N 0 0 307.398 0.891 10 30 DCEERN C=CCOC[C@@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)OC ZINC000360747762 526784554 /nfs/dbraw/zinc/78/45/54/526784554.db2.gz UDVZQEKYGWKOLZ-GFCCVEGCSA-N 0 0 309.293 0.869 10 30 DCEERN C=CCOC[C@@H](NC(=O)N1CC[C@H](COC)C1)C(=O)OC ZINC000337779944 526787194 /nfs/dbraw/zinc/78/71/94/526787194.db2.gz SIHYNLLWMBOCMH-NWDGAFQWSA-N 0 0 300.355 0.409 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000280622587 527085178 /nfs/dbraw/zinc/08/51/78/527085178.db2.gz ZZNGPRYPGMWVFC-LBPRGKRZSA-N 0 0 317.345 0.415 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000185884851 527088422 /nfs/dbraw/zinc/08/84/22/527088422.db2.gz BYVXAOFBVKINRH-AWEZNQCLSA-N 0 0 313.357 0.964 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1cccnc1N1CCOCC1 ZINC000182917647 527091755 /nfs/dbraw/zinc/09/17/55/527091755.db2.gz RINRASJTDUMVGK-AWEZNQCLSA-N 0 0 320.393 0.654 10 30 DCEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361905849 527167132 /nfs/dbraw/zinc/16/71/32/527167132.db2.gz IKMQBQXYFLOIPG-NSHDSACASA-N 0 0 308.382 0.783 10 30 DCEERN C=CC[C@H](CO)NC(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000341441824 527194843 /nfs/dbraw/zinc/19/48/43/527194843.db2.gz OWAKIYDBALTVHT-CYBMUJFWSA-N 0 0 313.398 0.250 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)CC=C ZINC000248511578 527204587 /nfs/dbraw/zinc/20/45/87/527204587.db2.gz BNWGNMIWMGHQLR-KBUPBQIOSA-N 0 0 324.421 0.509 10 30 DCEERN C=CCn1c(-c2ccoc2)nnc1N1CCO[C@H](C(N)=O)C1 ZINC000337866584 527280129 /nfs/dbraw/zinc/28/01/29/527280129.db2.gz QNPGQFUJXPTVDD-NSHDSACASA-N 0 0 303.322 0.415 10 30 DCEERN C#C[C@@H](NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C(C)C ZINC000374194664 527281945 /nfs/dbraw/zinc/28/19/45/527281945.db2.gz QBOJZTKWNWBTEH-KGLIPLIRSA-N 0 0 307.394 0.723 10 30 DCEERN C#C[C@H](C)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000186091647 527340691 /nfs/dbraw/zinc/34/06/91/527340691.db2.gz LAMBCDFMCGAADV-LBPRGKRZSA-N 0 0 303.410 0.886 10 30 DCEERN CC(C)(C)C(=O)NCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000362788774 527592915 /nfs/dbraw/zinc/59/29/15/527592915.db2.gz SBRMQPYDNDEHPE-CYBMUJFWSA-N 0 0 321.425 0.530 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(O)(C(=O)OCC)CC1 ZINC000267431777 527626869 /nfs/dbraw/zinc/62/68/69/527626869.db2.gz NXYBJPIKDGJOEV-CQSZACIVSA-N 0 0 324.421 0.966 10 30 DCEERN C=C[C@](C)(O)CC(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000356166916 527636191 /nfs/dbraw/zinc/63/61/91/527636191.db2.gz NZBHXLCQVYPKIY-BBRMVZONSA-N 0 0 306.362 0.999 10 30 DCEERN CCN(C[C@H](C)C#N)C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155708062 528694606 /nfs/dbraw/zinc/69/46/06/528694606.db2.gz OROGMWRVGRTUJU-VXGBXAGGSA-N 0 0 301.412 0.113 10 30 DCEERN CC[C@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156773588 529194805 /nfs/dbraw/zinc/19/48/05/529194805.db2.gz JTFBHDIYBVTYHG-AWEZNQCLSA-N 0 0 321.402 0.542 10 30 DCEERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329174844 546044338 /nfs/dbraw/zinc/04/43/38/546044338.db2.gz LJYXHOVLXGKGSK-ICUOPCATSA-N 0 0 321.381 0.373 10 30 DCEERN [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CCOCC2(CC2)C1 ZINC000329395042 546048100 /nfs/dbraw/zinc/04/81/00/546048100.db2.gz VMEKPWAZUHIPET-NWDGAFQWSA-N 0 0 307.354 0.244 10 30 DCEERN C#CCCS(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000289164605 657640532 /nfs/dbraw/zinc/64/05/32/657640532.db2.gz LZZWLVWWUKDBFD-ZDUSSCGKSA-N 0 0 310.423 0.640 10 30 DCEERN C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C(=O)OC)C2)CC1 ZINC000157799181 657757006 /nfs/dbraw/zinc/75/70/06/657757006.db2.gz BLUFZYILBCENHI-OCCSQVGLSA-N 0 0 308.378 0.121 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)c2csc3cncn32)CC1 ZINC000329187263 658951205 /nfs/dbraw/zinc/95/12/05/658951205.db2.gz PAGZJQYMNJEUOO-UHFFFAOYSA-N 0 0 303.347 0.594 10 30 DCEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)CCc1ccnn1C ZINC000123206755 659413880 /nfs/dbraw/zinc/41/38/80/659413880.db2.gz QMGJKDQARKTQKM-ZDUSSCGKSA-N 0 0 306.366 0.604 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000169819962 662566943 /nfs/dbraw/zinc/56/69/43/662566943.db2.gz VBUZXJUDWMNMDB-UHFFFAOYSA-N 0 0 314.345 0.001 10 30 DCEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060597 664544271 /nfs/dbraw/zinc/54/42/71/664544271.db2.gz KUDOUNRXMKRDLP-UHFFFAOYSA-N 0 0 321.786 0.813 10 30 DCEERN C[C@H]1CCCCN1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732669793 664951007 /nfs/dbraw/zinc/95/10/07/664951007.db2.gz RIFYRQUAKOADLB-GXTWGEPZSA-N 0 0 312.439 0.778 10 30 DCEERN C#CCOc1ccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000741693735 666359438 /nfs/dbraw/zinc/35/94/38/666359438.db2.gz SSUGRWZXZLDBRA-CYBMUJFWSA-N 0 0 322.386 0.592 10 30 DCEERN C#CCCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000733366570 666506083 /nfs/dbraw/zinc/50/60/83/666506083.db2.gz LCNQZVVVSFDDLX-UHFFFAOYSA-N 0 0 322.386 0.697 10 30 DCEERN C#Cc1cccc(NC(=S)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000734986039 666930903 /nfs/dbraw/zinc/93/09/03/666930903.db2.gz JRIWFJDKJVZMBW-CYBMUJFWSA-N 0 0 323.443 0.988 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cnc(C#N)cn2)C1 ZINC000702851953 667011115 /nfs/dbraw/zinc/01/11/15/667011115.db2.gz QQSKYDLWRRRBIR-CMPLNLGQSA-N 0 0 319.365 0.988 10 30 DCEERN C#Cc1cccc(NC(=O)CNC(=O)[C@@H](O)C2CCOCC2)c1 ZINC000735878102 667050417 /nfs/dbraw/zinc/05/04/17/667050417.db2.gz DDELBLGXJYXGMS-INIZCTEOSA-N 0 0 316.357 0.510 10 30 DCEERN C#CCCCS(=O)(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000710328286 667446187 /nfs/dbraw/zinc/44/61/87/667446187.db2.gz SIFLZRUBJSRWOA-UHFFFAOYSA-N 0 0 307.437 0.534 10 30 DCEERN C[S@@](=O)CCN1CCN(C(=O)c2sccc2C#N)CC1 ZINC000741288414 667766189 /nfs/dbraw/zinc/76/61/89/667766189.db2.gz OCFGPYHXKFCZIF-HXUWFJFHSA-N 0 0 311.432 0.756 10 30 DCEERN C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000741724356 667775551 /nfs/dbraw/zinc/77/55/51/667775551.db2.gz VUSGNILNJQDRNA-HOCLYGCPSA-N 0 0 315.421 0.603 10 30 DCEERN CC(C)N1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2C#N)CC1=O ZINC000742400932 667790562 /nfs/dbraw/zinc/79/05/62/667790562.db2.gz MVWQSDCKRRGQRY-NSHDSACASA-N 0 0 322.390 0.627 10 30 DCEERN C#CC[C@H](CO)Nc1ncc(I)cn1 ZINC000717782593 667954414 /nfs/dbraw/zinc/95/44/14/667954414.db2.gz DQXGXBKQECUTSP-MRVPVSSYSA-N 0 0 303.103 0.877 10 30 DCEERN C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000008563901 668158492 /nfs/dbraw/zinc/15/84/92/668158492.db2.gz GFLAGLZQXDQCHW-CYBMUJFWSA-N 0 0 314.341 0.641 10 30 DCEERN C=CCNC(=O)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000393829856 685265667 /nfs/dbraw/zinc/26/56/67/685265667.db2.gz IZRVTKVAZBYAMV-UHFFFAOYSA-N 0 0 306.278 0.640 10 30 DCEERN CCc1nnc([C@H]2CN(S(=O)(=O)CCCC#N)CCO2)[nH]1 ZINC000173740972 529701698 /nfs/dbraw/zinc/70/16/98/529701698.db2.gz KZHBITWHPFDXNW-SNVBAGLBSA-N 0 0 313.383 0.374 10 30 DCEERN CN(CC(=O)NCC#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000108867728 529832454 /nfs/dbraw/zinc/83/24/54/529832454.db2.gz FECYNVRNTINJOP-ZDUSSCGKSA-N 0 0 322.434 0.693 10 30 DCEERN CN(CC(N)=O)C[C@@H]1CN(Cc2ccc(C#N)s2)CCO1 ZINC000275804756 529852189 /nfs/dbraw/zinc/85/21/89/529852189.db2.gz TUYHFYAYAWEANH-LLVKDONJSA-N 0 0 308.407 0.238 10 30 DCEERN CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000163291269 530033895 /nfs/dbraw/zinc/03/38/95/530033895.db2.gz HVIGGVVMZMTGJF-GFCCVEGCSA-N 0 0 311.319 0.898 10 30 DCEERN CCCCCCCCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000072400242 191151200 /nfs/dbraw/zinc/15/12/00/191151200.db2.gz CGVLVOOFCGWBCS-MRTXSQPYSA-N 0 0 308.440 0.880 10 30 DCEERN C=C1C(=O)O[C@H]2C[C@@]3(CO3)[C@@H]3C[C@H](OC(C)=O)C(=C)[C@]3(O)C[C@H]12 ZINC000004097996 181072830 /nfs/dbraw/zinc/07/28/30/181072830.db2.gz XRCCPOSHMKZPFI-IHFPKREYSA-N 0 0 320.341 0.886 10 30 in-vitro DCEERN C[C@@](C#N)(NC(=O)CN1CCC[C@H](n2cncn2)C1)C1CC1 ZINC000171616335 237139079 /nfs/dbraw/zinc/13/90/79/237139079.db2.gz XFKMIGJJKNENOS-ZFWWWQNUSA-N 0 0 302.382 0.723 10 30 DCEERN N#CCC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000186633390 237316623 /nfs/dbraw/zinc/31/66/23/237316623.db2.gz UGPOZDCCKOJZDX-AWEZNQCLSA-N 0 0 303.362 0.484 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000189649682 237408130 /nfs/dbraw/zinc/40/81/30/237408130.db2.gz MOJNXLAFXJDEKC-VIFPVBQESA-N 0 0 311.338 0.461 10 30 DCEERN CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[C@H]1C ZINC000191289937 237446814 /nfs/dbraw/zinc/44/68/14/237446814.db2.gz KKGOAWIJDWJBRY-NEPJUHHUSA-N 0 0 319.365 0.619 10 30 DCEERN N#CCC[C@H](C#N)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000247024033 238161264 /nfs/dbraw/zinc/16/12/64/238161264.db2.gz RKXXKKIVSZMHFO-KGLIPLIRSA-N 0 0 310.423 0.930 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC ZINC000272010096 209380278 /nfs/dbraw/zinc/38/02/78/209380278.db2.gz ZVCCYVZZZDWCFD-GHMZBOCLSA-N 0 0 313.423 0.352 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000266091634 238207641 /nfs/dbraw/zinc/20/76/41/238207641.db2.gz IKZILLNNDVNULC-NEPJUHHUSA-N 0 0 311.411 0.546 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000266091642 238208021 /nfs/dbraw/zinc/20/80/21/238208021.db2.gz IKZILLNNDVNULC-RYUDHWBXSA-N 0 0 311.411 0.546 10 30 DCEERN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(C)CCCO1 ZINC000268207944 291250176 /nfs/dbraw/zinc/25/01/76/291250176.db2.gz HFXLISMWOUZFHH-BLLLJJGKSA-N 0 0 315.377 0.954 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1cncnc1 ZINC000329502333 238628490 /nfs/dbraw/zinc/62/84/90/238628490.db2.gz HUJQXNCXVMHNAS-VXGBXAGGSA-N 0 0 312.395 0.694 10 30 DCEERN O=C(NC[C@H]1CCCCS1(=O)=O)N1CCc2cncnc2C1 ZINC000329669986 238647978 /nfs/dbraw/zinc/64/79/78/238647978.db2.gz SROQJGDUCPHZCA-GFCCVEGCSA-N 0 0 324.406 0.716 10 30 DCEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCN1C1CC1 ZINC000365887256 239128489 /nfs/dbraw/zinc/12/84/89/239128489.db2.gz XWRVMEJPJXLTLO-BXUZGUMPSA-N 0 0 317.393 0.131 10 30 DCEERN C[S@](=O)C1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 ZINC000366709879 239136230 /nfs/dbraw/zinc/13/62/30/239136230.db2.gz OAARXECFDVESCF-XMHCIUCPSA-N 0 0 324.450 0.669 10 30 DCEERN N#C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)CCN1C1CC1 ZINC000374779811 239214546 /nfs/dbraw/zinc/21/45/46/239214546.db2.gz LIABTRTVXYYHBM-SNVBAGLBSA-N 0 0 318.299 0.254 10 30 DCEERN N#C[C@H]1CCC[C@@H]1NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000408199334 239262352 /nfs/dbraw/zinc/26/23/52/239262352.db2.gz REZFXZWTIGJNFV-KGLIPLIRSA-N 0 0 304.394 0.349 10 30 DCEERN Cn1nccc1N1CCC[C@@H](NC(=O)C2(C#N)CCC2)C1=O ZINC000408343810 239265915 /nfs/dbraw/zinc/26/59/15/239265915.db2.gz SNBRHGPJVMIKTL-LLVKDONJSA-N 0 0 301.350 0.726 10 30 DCEERN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)CCC#N)C[C@@H](C)O1 ZINC000408456467 239269519 /nfs/dbraw/zinc/26/95/19/239269519.db2.gz ISUZBTYTCANXGS-MCIONIFRSA-N 0 0 315.439 0.803 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000407972045 239256958 /nfs/dbraw/zinc/25/69/58/239256958.db2.gz DNGLYRCIVNBISG-WHXUTIOJSA-N 0 0 302.400 0.099 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000407976943 239258077 /nfs/dbraw/zinc/25/80/77/239258077.db2.gz VXQPVGZKTVXEFC-RKDXNWHRSA-N 0 0 315.317 0.464 10 30 DCEERN C=CCCn1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)nn1 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Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160477141 158354186 /nfs/dbraw/zinc/35/41/86/158354186.db2.gz YAXXIXONLIKISF-RYUDHWBXSA-N 0 0 324.406 0.344 10 30 DCEERN CN(C)C(=O)CC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000174459849 158417429 /nfs/dbraw/zinc/41/74/29/158417429.db2.gz RQCAODVREQBKCT-UHFFFAOYSA-N 0 0 300.362 0.685 10 30 DCEERN Cc1onc(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1C#N ZINC000408065748 160026622 /nfs/dbraw/zinc/02/66/22/160026622.db2.gz QBPAXRQOXHFOPM-ZIAGYGMSSA-N 0 0 304.350 0.329 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@](O)(C(F)(F)F)C2)n1 ZINC000408369365 160093650 /nfs/dbraw/zinc/09/36/50/160093650.db2.gz WELZYYBISCCXEG-SNVBAGLBSA-N 0 0 303.244 0.066 10 30 DCEERN Cc1cc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)ccc1C#N ZINC000408437132 160107656 /nfs/dbraw/zinc/10/76/56/160107656.db2.gz PLEJLTWIHHSMMQ-UHFFFAOYSA-N 0 0 319.346 0.368 10 30 DCEERN CN1CCN(C(=O)[C@H]2CCCN2c2nccc(C#N)n2)CC1 ZINC000408452623 160111266 /nfs/dbraw/zinc/11/12/66/160111266.db2.gz 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300.318 0.154 10 30 DCEERN C#CCOCCC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000132235604 415932188 /nfs/dbraw/zinc/93/21/88/415932188.db2.gz QKQZAIUEPDRNQM-MRXNPFEDSA-N 0 0 307.438 0.655 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298632422 416018835 /nfs/dbraw/zinc/01/88/35/416018835.db2.gz OWFIDWUSISSKAT-LLVKDONJSA-N 0 0 307.306 0.895 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)COCc2cc(C)no2)C1=O ZINC000337993905 416031638 /nfs/dbraw/zinc/03/16/38/416031638.db2.gz ISNOGXPBIDIFEZ-CYBMUJFWSA-N 0 0 307.350 0.745 10 30 DCEERN C=CCc1ccc(OCC(=O)NC[C@](C)(O)CO)c(OC)c1 ZINC000338623546 416117574 /nfs/dbraw/zinc/11/75/74/416117574.db2.gz MLUYTAFPQXMORM-INIZCTEOSA-N 0 0 309.362 0.662 10 30 DCEERN CNC(=O)[C@@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCO1 ZINC000328631739 416125967 /nfs/dbraw/zinc/12/59/67/416125967.db2.gz KVLNMRVCCHANSC-NEPJUHHUSA-N 0 0 321.381 0.859 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC000176379986 416126075 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Cc1nnsc1CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000330270730 416199617 /nfs/dbraw/zinc/19/96/17/416199617.db2.gz USFFVPGCWNRQAG-QWRGUYRKSA-N 0 0 311.411 0.665 10 30 DCEERN C=CC[C@H](CO)CNS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000341189624 416205513 /nfs/dbraw/zinc/20/55/13/416205513.db2.gz MJGFUXJVEKSIJJ-VIFPVBQESA-N 0 0 317.367 0.049 10 30 DCEERN O=C1CN(CC[NH+]=C([O-])N2CCC[C@@H](n3cncn3)C2)CCN1 ZINC000329288894 416161657 /nfs/dbraw/zinc/16/16/57/416161657.db2.gz HYPBBYPSLYWTSC-GFCCVEGCSA-N 0 0 321.385 0.101 10 30 DCEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000329279246 416161687 /nfs/dbraw/zinc/16/16/87/416161687.db2.gz LNWOQWRXQWYJJV-GMTAPVOTSA-N 0 0 309.370 0.281 10 30 DCEERN CN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000178554120 416165439 /nfs/dbraw/zinc/16/54/39/416165439.db2.gz MDOCEUAKMFRBRU-CYBMUJFWSA-N 0 0 324.344 0.414 10 30 DCEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000330919174 416248310 /nfs/dbraw/zinc/24/83/10/416248310.db2.gz 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CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000367066075 416640805 /nfs/dbraw/zinc/64/08/05/416640805.db2.gz LJKBKQBZOKQGOM-NEPJUHHUSA-N 0 0 307.398 0.268 10 30 DCEERN CC#CCCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000440706380 416644257 /nfs/dbraw/zinc/64/42/57/416644257.db2.gz SXWWORSDZICJFV-UHFFFAOYSA-N 0 0 303.366 1.251 10 30 DCEERN C=CCCn1cc(C(=O)NCC(=O)NCc2ccco2)nn1 ZINC000424540782 416662475 /nfs/dbraw/zinc/66/24/75/416662475.db2.gz KRWBKMZBQJTTBN-UHFFFAOYSA-N 0 0 303.322 0.493 10 30 DCEERN C=C[C@H](O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000614869169 416718768 /nfs/dbraw/zinc/71/87/68/416718768.db2.gz LJAZILZHJUPYBS-HUBLWGQQSA-N 0 0 316.357 0.569 10 30 DCEERN C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCCO1)n1cnc(C#N)n1 ZINC000517192059 416784590 /nfs/dbraw/zinc/78/45/90/416784590.db2.gz BRMNBEWTAFJAGJ-GRYCIOLGSA-N 0 0 305.338 0.117 10 30 DCEERN C=CC[C@@H](C)NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631982430 416848226 /nfs/dbraw/zinc/84/82/26/416848226.db2.gz 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/nfs/dbraw/zinc/29/75/71/417297571.db2.gz UFEAWHPDAZXFSF-XUXIUFHCSA-N 0 0 310.394 0.171 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(N2CCOCC2)ncn1 ZINC000633314781 417406523 /nfs/dbraw/zinc/40/65/23/417406523.db2.gz DQXYDMBYXNAIPV-YPMHNXCESA-N 0 0 304.350 0.387 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529023849 417410478 /nfs/dbraw/zinc/41/04/78/417410478.db2.gz BGVGETNRKWYXBV-OAHLLOKOSA-N 0 0 318.373 0.826 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627470505 417427764 /nfs/dbraw/zinc/42/77/64/417427764.db2.gz UASODZLYYXBVKF-NSHDSACASA-N 0 0 307.350 0.862 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC(N2CCOCC2)C1 ZINC000627942641 417538493 /nfs/dbraw/zinc/53/84/93/417538493.db2.gz CKLMJALVWVCIIP-NRXISQOPSA-N 0 0 309.410 0.437 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000575270958 417523674 /nfs/dbraw/zinc/52/36/74/417523674.db2.gz ARPPJQSVCUQCFO-JSGCOSHPSA-N 0 0 322.409 0.777 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635098636 417574875 /nfs/dbraw/zinc/57/48/75/417574875.db2.gz KOTIVDGIUYAHBQ-UHFFFAOYSA-N 0 0 306.366 0.941 10 30 DCEERN CO[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1O ZINC000456389998 417647062 /nfs/dbraw/zinc/64/70/62/417647062.db2.gz HYZQONWAHUFDTH-UEKVPHQBSA-N 0 0 312.366 0.466 10 30 DCEERN C=CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)nn1 ZINC000628989330 417737947 /nfs/dbraw/zinc/73/79/47/417737947.db2.gz TWAVFKNSWKVEHP-GFCCVEGCSA-N 0 0 300.322 0.937 10 30 DCEERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2nn(C)cc2C#N)C1 ZINC000610767379 418974098 /nfs/dbraw/zinc/97/40/98/418974098.db2.gz HBEIYVKMSQFYTR-SNVBAGLBSA-N 0 0 305.342 0.217 10 30 DCEERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1 ZINC000191338323 261137106 /nfs/dbraw/zinc/13/71/06/261137106.db2.gz FWVYFHOLGMUBCK-UHFFFAOYSA-N 0 0 300.318 0.152 10 30 DCEERN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnn2)cc1 ZINC000355368167 261334854 /nfs/dbraw/zinc/33/48/54/261334854.db2.gz MPJZRWYQWIXTKL-CQSZACIVSA-N 0 0 324.344 0.779 10 30 DCEERN 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C=CCC1(C(=O)N2CCN(CC(N)=O)C(=O)C2)CCCCC1 ZINC000458061173 338987307 /nfs/dbraw/zinc/98/73/07/338987307.db2.gz CVROATPVVGCKMW-UHFFFAOYSA-N 0 0 307.394 0.669 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CCC[C@H](NC(=O)CC)C1 ZINC000459815761 339049705 /nfs/dbraw/zinc/04/97/05/339049705.db2.gz GUCGDIQNPUBRFM-ZDUSSCGKSA-N 0 0 307.394 0.704 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CC=CCC2)C1=O ZINC000541337943 340967654 /nfs/dbraw/zinc/96/76/54/340967654.db2.gz SONLUOHNIJVEKU-LBPRGKRZSA-N 0 0 319.361 0.778 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000543114576 341032542 /nfs/dbraw/zinc/03/25/42/341032542.db2.gz SOEXGEPFESHBSQ-TUAOUCFPSA-N 0 0 304.412 0.578 10 30 DCEERN CNC(=O)c1cc(S(=O)(=O)N2CCC(CC#N)CC2)cn1C ZINC000543774682 341057974 /nfs/dbraw/zinc/05/79/74/341057974.db2.gz RIWGAOZQIKJZHO-UHFFFAOYSA-N 0 0 324.406 0.699 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000569315700 341697477 /nfs/dbraw/zinc/69/74/77/341697477.db2.gz 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CUOLUXGRYXCQBG-NSHDSACASA-N 0 0 302.396 0.826 10 30 DCEERN C#CCN(Cc1nnc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000109328620 670913452 /nfs/dbraw/zinc/91/34/52/670913452.db2.gz JKKIMPICAJTJIY-NSHDSACASA-N 0 0 311.407 0.989 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000718193069 685304757 /nfs/dbraw/zinc/30/47/57/685304757.db2.gz JEZBQSBCCAMEOS-MRVPVSSYSA-N 0 0 309.265 0.858 10 30 DCEERN C[S@](=O)CCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719973084 685311488 /nfs/dbraw/zinc/31/14/88/685311488.db2.gz DNLQHMXCAXIVKE-SFHVURJKSA-N 0 0 304.368 0.744 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N(c2cc(CCOC)nn2C)C1=O ZINC000348668475 1158902280 /nfs/dbraw/zinc/90/22/80/1158902280.db2.gz AOADYBLBJTYJAA-NSHDSACASA-N 0 0 308.338 0.236 10 30 DCEERN CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1C[C@H](C)O ZINC000248626636 529399365 /nfs/dbraw/zinc/39/93/65/529399365.db2.gz FYTXLABLWZKSAZ-QWHCGFSZSA-N 0 0 315.439 0.397 10 30 DCEERN CC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000408342526 529399665 /nfs/dbraw/zinc/39/96/65/529399665.db2.gz XVTGEAOJNMIXGR-OLZOCXBDSA-N 0 0 317.411 0.347 10 30 DCEERN CN(C)c1nccc(N2CCN(C(=O)C(C)(C)C#N)CC2)n1 ZINC000408208596 529812924 /nfs/dbraw/zinc/81/29/24/529812924.db2.gz ODMZBVPVRUUWOZ-UHFFFAOYSA-N 0 0 302.382 0.741 10 30 DCEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000171598531 237134915 /nfs/dbraw/zinc/13/49/15/237134915.db2.gz SGPYCXCLWSCPCT-CHWSQXEVSA-N 0 0 316.365 0.379 10 30 DCEERN N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000237708598 202333699 /nfs/dbraw/zinc/33/36/99/202333699.db2.gz LASZPOPCRVLSOO-SECBINFHSA-N 0 0 301.318 0.867 10 30 DCEERN COC(=O)[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1C ZINC000249143016 238162768 /nfs/dbraw/zinc/16/27/68/238162768.db2.gz WJZHDMBAMNXXDS-AXAPSJFSSA-N 0 0 307.394 0.926 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000266091639 238207813 /nfs/dbraw/zinc/20/78/13/238207813.db2.gz IKZILLNNDVNULC-NWDGAFQWSA-N 0 0 311.411 0.546 10 30 DCEERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCc2cncnc2C1 ZINC000329318859 238611901 /nfs/dbraw/zinc/61/19/01/238611901.db2.gz IIRQDPSFQARXHD-LLVKDONJSA-N 0 0 315.377 0.760 10 30 DCEERN C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CCCCO1 ZINC000329632219 238644177 /nfs/dbraw/zinc/64/41/77/238644177.db2.gz WGVPYKOAUQNIRU-NNYUYHANSA-N 0 0 304.412 0.881 10 30 DCEERN Cc1nccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000359938878 239067534 /nfs/dbraw/zinc/06/75/34/239067534.db2.gz WSCAGEJFGFZREM-CQSZACIVSA-N 0 0 300.366 0.667 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)CCN1C1CC1 ZINC000363565874 239111773 /nfs/dbraw/zinc/11/17/73/239111773.db2.gz IXNGVKSUHIMIMI-LLVKDONJSA-N 0 0 317.349 0.260 10 30 DCEERN N#C[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CCN1C1CC1 ZINC000369233107 239166125 /nfs/dbraw/zinc/16/61/25/239166125.db2.gz RTHKJJKMBRECHF-CQSZACIVSA-N 0 0 313.361 0.990 10 30 DCEERN C[C@H](C(=O)N1CCOCC1)N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988078 239257726 /nfs/dbraw/zinc/25/77/26/239257726.db2.gz CAUWQRNCRZVMGQ-OAGGEKHMSA-N 0 0 320.437 0.544 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCCC(=O)OCC ZINC000425177329 240298799 /nfs/dbraw/zinc/29/87/99/240298799.db2.gz FTSWXWMEJKILNH-RYUDHWBXSA-N 0 0 305.396 0.840 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000424930639 240271951 /nfs/dbraw/zinc/27/19/51/240271951.db2.gz GSSXGGTZXSHESV-WPRPVWTQSA-N 0 0 300.336 0.248 10 30 DCEERN Cc1cc(C#N)cc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000459606588 241059330 /nfs/dbraw/zinc/05/93/30/241059330.db2.gz DGVMTRKCJPNTCB-CYBMUJFWSA-N 0 0 300.322 0.641 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000265044440 204361939 /nfs/dbraw/zinc/36/19/39/204361939.db2.gz RFCXZTVUBRYGCG-UHFFFAOYSA-N 0 0 306.318 0.790 10 30 DCEERN CS(=O)(=O)CCS(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000063143028 184273714 /nfs/dbraw/zinc/27/37/14/184273714.db2.gz GCJZBNVHYRXRRR-UHFFFAOYSA-N 0 0 302.377 0.539 10 30 DCEERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCC(=O)N(C)CCC#N)C1 ZINC000189316072 533302401 /nfs/dbraw/zinc/30/24/01/533302401.db2.gz CPRAJKWZVCLAJT-QWHCGFSZSA-N 0 0 321.381 0.902 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C[C@@H]21 ZINC000284652504 131100676 /nfs/dbraw/zinc/10/06/76/131100676.db2.gz MHEYOPAQTBKKNV-GJZGRUSLSA-N 0 0 321.402 0.652 10 30 DCEERN C=C[C@H](C)NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000089952007 395717548 /nfs/dbraw/zinc/71/75/48/395717548.db2.gz FYJIJZRAASHDPJ-ZETCQYMHSA-N 0 0 301.306 0.291 10 30 DCEERN N#Cc1ccnc(N2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC000027340477 395694973 /nfs/dbraw/zinc/69/49/73/395694973.db2.gz CSOIAACUXHZPFD-UHFFFAOYSA-N 0 0 301.350 0.527 10 30 DCEERN C#Cc1cccc(NC(=O)CN(C)c2cncc(C(N)=O)n2)c1 ZINC000092686487 395732808 /nfs/dbraw/zinc/73/28/08/395732808.db2.gz PHVIDAQSHLWOBM-UHFFFAOYSA-N 0 0 309.329 0.632 10 30 DCEERN COCCS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000101569811 395765273 /nfs/dbraw/zinc/76/52/73/395765273.db2.gz XRSYCQXENQKYSH-UHFFFAOYSA-N 0 0 310.379 0.051 10 30 DCEERN CO[C@@H](C)CS(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000195454222 395827813 /nfs/dbraw/zinc/82/78/13/395827813.db2.gz KNDPGIFWSCWSJJ-NSHDSACASA-N 0 0 310.375 0.986 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000273557827 395929612 /nfs/dbraw/zinc/92/96/12/395929612.db2.gz HIQCQHUPLWTSDJ-JIMOISOXSA-N 0 0 322.386 0.744 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000273388245 395917867 /nfs/dbraw/zinc/91/78/67/395917867.db2.gz HLEQNFQTTGIFTH-LLVKDONJSA-N 0 0 313.379 0.070 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000273561327 395930930 /nfs/dbraw/zinc/93/09/30/395930930.db2.gz IDOWCQGVNGNTDI-ZDUSSCGKSA-N 0 0 317.345 0.405 10 30 DCEERN Cn1ncc(Cl)c1S(=O)(=O)NC1CCN(CC#N)CC1 ZINC000228061260 395870663 /nfs/dbraw/zinc/87/06/63/395870663.db2.gz APBQWAHJJOBNPD-UHFFFAOYSA-N 0 0 317.802 0.340 10 30 DCEERN COC(=O)[C@H](NC[C@@H]1CN(C)CCO1)c1cccc(C#N)c1 ZINC000246637780 395954889 /nfs/dbraw/zinc/95/48/89/395954889.db2.gz ZVPVDOHYNXIJQH-HUUCEWRRSA-N 0 0 303.362 0.693 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000274820865 395979075 /nfs/dbraw/zinc/97/90/75/395979075.db2.gz QCROYVAMUQXXKD-LBPRGKRZSA-N 0 0 302.330 0.884 10 30 DCEERN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCS1(=O)=O ZINC000155460753 396051408 /nfs/dbraw/zinc/05/14/08/396051408.db2.gz GEAMHCYOZFFGHF-LLVKDONJSA-N 0 0 307.375 0.616 10 30 DCEERN N#Cc1ccc(S(=O)(=O)CCN2CCOC[C@@H]2CO)cc1 ZINC000168131366 396089630 /nfs/dbraw/zinc/08/96/30/396089630.db2.gz XUUQAVUDCDZJAF-ZDUSSCGKSA-N 0 0 310.375 0.025 10 30 DCEERN C=CCN1CCN(C(=O)[C@@]2(CCO)CC23CCOCC3)CC1 ZINC000169787610 396092710 /nfs/dbraw/zinc/09/27/10/396092710.db2.gz KCGTWTFDPXEVEH-QGZVFWFLSA-N 0 0 308.422 0.886 10 30 DCEERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000171838443 396126092 /nfs/dbraw/zinc/12/60/92/396126092.db2.gz NORVHMIXAVUCBC-ZDUSSCGKSA-N 0 0 307.375 0.598 10 30 DCEERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000071991851 396126601 /nfs/dbraw/zinc/12/66/01/396126601.db2.gz VWPPPGCXRLXBEH-BXUZGUMPSA-N 0 0 321.402 0.974 10 30 DCEERN CCN(C)S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000072676917 396134300 /nfs/dbraw/zinc/13/43/00/396134300.db2.gz PZGOROHMSGFKTA-UHFFFAOYSA-N 0 0 309.395 0.272 10 30 DCEERN C=CCNC(=O)CN1CCN(CCOCC(F)(F)F)CC1 ZINC000077676210 396228897 /nfs/dbraw/zinc/22/88/97/396228897.db2.gz WGDYXUTXJQDWJA-UHFFFAOYSA-N 0 0 309.332 0.485 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000081714142 396306700 /nfs/dbraw/zinc/30/67/00/396306700.db2.gz QWCBEYASFNFLAR-LLVKDONJSA-N 0 0 310.379 0.051 10 30 DCEERN CCN1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1=O ZINC000191512736 396420512 /nfs/dbraw/zinc/42/05/12/396420512.db2.gz AHLAYDSALQVYBG-UHFFFAOYSA-N 0 0 320.736 0.798 10 30 DCEERN N#Cc1cc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)ccn1 ZINC000192475378 396431820 /nfs/dbraw/zinc/43/18/20/396431820.db2.gz HJJZXRJKUITOQJ-UHFFFAOYSA-N 0 0 316.342 0.994 10 30 DCEERN CC1(C)CNC(=O)CN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289031168 396453684 /nfs/dbraw/zinc/45/36/84/396453684.db2.gz CBOPLBHZDMEOKW-UHFFFAOYSA-N 0 0 307.375 0.598 10 30 DCEERN CS(=O)(=O)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000373580426 396600761 /nfs/dbraw/zinc/60/07/61/396600761.db2.gz WAPOLYJRUFOVNE-GFCCVEGCSA-N 0 0 311.407 0.152 10 30 DCEERN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCCO1 ZINC000586859155 396669431 /nfs/dbraw/zinc/66/94/31/396669431.db2.gz ULWIQLVFLPVXCG-LLVKDONJSA-N 0 0 319.336 0.951 10 30 DCEERN Cn1ccnc1CNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862383 396669946 /nfs/dbraw/zinc/66/99/46/396669946.db2.gz UQKQAOVNPVDEAQ-UHFFFAOYSA-N 0 0 315.308 0.363 10 30 DCEERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000314377798 396780966 /nfs/dbraw/zinc/78/09/66/396780966.db2.gz QJSHIKPFWZGWIN-QWRGUYRKSA-N 0 0 314.338 0.468 10 30 DCEERN C=CCCSCCNC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000596722596 396824633 /nfs/dbraw/zinc/82/46/33/396824633.db2.gz WNFRBJUQFXNXSG-NSHDSACASA-N 0 0 302.396 0.879 10 30 DCEERN Cc1nnc2n1CCN(C1CN(C(=O)NCc3ccco3)C1)C2 ZINC000328630537 396827154 /nfs/dbraw/zinc/82/71/54/396827154.db2.gz JMJLPJPSMUGFID-UHFFFAOYSA-N 0 0 316.365 0.794 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000629782922 396832223 /nfs/dbraw/zinc/83/22/23/396832223.db2.gz AGPARYSNJOPVJO-UPJWGTAASA-N 0 0 322.365 0.795 10 30 DCEERN C=CCCOCC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000629889184 396863566 /nfs/dbraw/zinc/86/35/66/396863566.db2.gz IVZSXARLWXWZDJ-GFCCVEGCSA-N 0 0 304.412 0.367 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600479746 396865516 /nfs/dbraw/zinc/86/55/16/396865516.db2.gz KSVFEBIKIYRBHT-PBMXDMTDSA-N 0 0 312.435 0.969 10 30 DCEERN C=C(C)[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)NC)OCC ZINC000634517337 396878489 /nfs/dbraw/zinc/87/84/89/396878489.db2.gz AHTOJYOVKQUOQK-QWHCGFSZSA-N 0 0 313.398 0.514 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000625561172 396924196 /nfs/dbraw/zinc/92/41/96/396924196.db2.gz IKBLGHOPRSNARF-CHWSQXEVSA-N 0 0 312.410 0.967 10 30 DCEERN C=C[C@H](O)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000611802285 396932134 /nfs/dbraw/zinc/93/21/34/396932134.db2.gz HXQZFQWELURESK-HNNXBMFYSA-N 0 0 317.389 0.489 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000611863237 396940294 /nfs/dbraw/zinc/94/02/94/396940294.db2.gz OPIBJXLRHRKMGI-UHFFFAOYSA-N 0 0 323.397 0.358 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=C)C ZINC000611885202 396943916 /nfs/dbraw/zinc/94/39/16/396943916.db2.gz KZPKHPKTZABQEV-KGLIPLIRSA-N 0 0 310.394 0.793 10 30 DCEERN C=CCOCCCNC(=O)C(=O)NC[C@H]1CCO[C@@H]1C(=C)C ZINC000611885205 396944342 /nfs/dbraw/zinc/94/43/42/396944342.db2.gz KZPKHPKTZABQEV-ZIAGYGMSSA-N 0 0 310.394 0.793 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000597347886 396947480 /nfs/dbraw/zinc/94/74/80/396947480.db2.gz LUQJFCDBPQKXKE-OLZOCXBDSA-N 0 0 312.366 0.248 10 30 DCEERN COC[C@]1(C(N)=O)CCCN1CCOc1ccccc1C#N ZINC000591646401 396962908 /nfs/dbraw/zinc/96/29/08/396962908.db2.gz DFYRLZUPWVLBOD-INIZCTEOSA-N 0 0 303.362 0.903 10 30 DCEERN C=CCOCCCNC(=O)CCn1cnc2c1ncnc2N ZINC000618514481 396987171 /nfs/dbraw/zinc/98/71/71/396987171.db2.gz KLCAXDUSIKJQIJ-UHFFFAOYSA-N 0 0 304.354 0.508 10 30 DCEERN C=CCOCCCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000618513881 396987464 /nfs/dbraw/zinc/98/74/64/396987464.db2.gz FPQQYLBPAWQXQZ-UHFFFAOYSA-N 0 0 317.349 0.999 10 30 DCEERN C=CCOCCCNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000618525472 396988829 /nfs/dbraw/zinc/98/88/29/396988829.db2.gz FBJVYGOZHBHDLM-GFCCVEGCSA-N 0 0 319.423 0.678 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000597608388 397029979 /nfs/dbraw/zinc/02/99/79/397029979.db2.gz FAPAZRNHYRCZPM-FKIZINRSSA-N 0 0 300.424 0.875 10 30 DCEERN C=CCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000612463211 397063806 /nfs/dbraw/zinc/06/38/06/397063806.db2.gz GBQAMFSENFGNKG-KGLIPLIRSA-N 0 0 304.394 0.892 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000618945692 397046501 /nfs/dbraw/zinc/04/65/01/397046501.db2.gz ZDQPQJBEUUARDY-VIFPVBQESA-N 0 0 310.379 0.329 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000612838531 397148972 /nfs/dbraw/zinc/14/89/72/397148972.db2.gz YCGKKCROKXQVJM-HUUCEWRRSA-N 0 0 319.409 0.988 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)OC ZINC000601502943 397155753 /nfs/dbraw/zinc/15/57/53/397155753.db2.gz ZLIXGEWOKYEIHJ-NEPJUHHUSA-N 0 0 305.396 0.840 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)OC ZINC000601502888 397155979 /nfs/dbraw/zinc/15/59/79/397155979.db2.gz YYCGMKBJBDVGCP-JTQLQIEISA-N 0 0 301.368 0.515 10 30 DCEERN C[C@@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)n1cnc(C#N)n1 ZINC000619600092 397156479 /nfs/dbraw/zinc/15/64/79/397156479.db2.gz ADZCZXMNKPZNEH-XHDPSFHLSA-N 0 0 319.365 0.507 10 30 DCEERN N#Cc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c(F)c1 ZINC000619709497 397179024 /nfs/dbraw/zinc/17/90/24/397179024.db2.gz YFOOGTNXRDISFN-GFCCVEGCSA-N 0 0 324.337 0.256 10 30 DCEERN C[C@H](C(=O)N[C@@H](CO)[C@H](C)c1ccccc1)n1cnc(C#N)n1 ZINC000619619900 397161332 /nfs/dbraw/zinc/16/13/32/397161332.db2.gz IYOAJEBNFJYIKR-BZPMIXESSA-N 0 0 313.361 0.992 10 30 DCEERN CCN1CC[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1=O ZINC000619802308 397195006 /nfs/dbraw/zinc/19/50/06/397195006.db2.gz YJZRPMLRWVPDHD-HUUCEWRRSA-N 0 0 310.357 0.978 10 30 DCEERN C=CCC[C@H](NC(=O)C1(N2CCOCC2)CC1)C(=O)OCC ZINC000601623225 397196032 /nfs/dbraw/zinc/19/60/32/397196032.db2.gz YEHGYQLZUVPTNG-ZDUSSCGKSA-N 0 0 310.394 0.865 10 30 DCEERN CC#CC[C@@H](CO)NC(=O)CC1(C(=O)OCC)CCOCC1 ZINC000601658703 397209285 /nfs/dbraw/zinc/20/92/85/397209285.db2.gz XMPKZJCAVHXJRU-ZDUSSCGKSA-N 0 0 311.378 0.627 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)OC ZINC000601780672 397242902 /nfs/dbraw/zinc/24/29/02/397242902.db2.gz ZTUFTYJELSDJEI-SNVBAGLBSA-N 0 0 303.322 0.291 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)OC ZINC000601784429 397243926 /nfs/dbraw/zinc/24/39/26/397243926.db2.gz INUAQVVBPRLVCL-GFCCVEGCSA-N 0 0 315.333 0.900 10 30 DCEERN 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303.428 0.164 10 30 DCEERN C=CCNC(=O)CN(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000362408503 526527280 /nfs/dbraw/zinc/52/72/80/526527280.db2.gz BUNFHLWSLBFJLQ-CQSZACIVSA-N 0 0 309.410 0.392 10 30 DCEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155382396 526543251 /nfs/dbraw/zinc/54/32/51/526543251.db2.gz NIISHSMAEGKGLI-OLZOCXBDSA-N 0 0 302.440 0.918 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000181632321 526563519 /nfs/dbraw/zinc/56/35/19/526563519.db2.gz XFIRIMMSKAYJTG-CHWSQXEVSA-N 0 0 316.357 0.980 10 30 DCEERN C=CCNC(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000357028812 526583976 /nfs/dbraw/zinc/58/39/76/526583976.db2.gz RWCKZPVKDZEAGQ-NSHDSACASA-N 0 0 318.337 0.739 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186116220 526591563 /nfs/dbraw/zinc/59/15/63/526591563.db2.gz QCIHWLJDDHYBKN-UHFFFAOYSA-N 0 0 322.390 0.409 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347801415 526593062 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/nfs/dbraw/zinc/20/39/64/527203964.db2.gz XJKFJRPUYSFZSQ-TZMCWYRMSA-N 0 0 322.409 0.536 10 30 DCEERN C=CCc1ccc(OC[C@@H](O)CN2CC(=O)N(C)C2)c(OC)c1 ZINC000360490641 527253916 /nfs/dbraw/zinc/25/39/16/527253916.db2.gz KUDSWGRLLNCGOR-AWEZNQCLSA-N 0 0 320.389 0.895 10 30 DCEERN C=CCn1c(C)cc(C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000092231209 527295327 /nfs/dbraw/zinc/29/53/27/527295327.db2.gz NJDGYZDKYRXIJM-AWEZNQCLSA-N 0 0 305.378 0.660 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000289311208 527340318 /nfs/dbraw/zinc/34/03/18/527340318.db2.gz APGUMCWUXROBBB-UHFFFAOYSA-N 0 0 319.352 0.105 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000370988975 527444377 /nfs/dbraw/zinc/44/43/77/527444377.db2.gz AEJVNQMHTUNAJM-INIZCTEOSA-N 0 0 322.368 0.805 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCN(CC(F)(F)F)C(=O)C1 ZINC000286284208 527610516 /nfs/dbraw/zinc/61/05/16/527610516.db2.gz CNULDWJHNVSGIS-UHFFFAOYSA-N 0 0 319.327 0.894 10 30 DCEERN CC(C)CCC(=O)NCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371000306 527696767 /nfs/dbraw/zinc/69/67/67/527696767.db2.gz PODFBYPXMWRXCK-CQSZACIVSA-N 0 0 306.410 0.738 10 30 DCEERN CC(C)CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(N)=O ZINC000156652765 527940298 /nfs/dbraw/zinc/94/02/98/527940298.db2.gz JAQVPAMUEXFUBW-UHFFFAOYSA-N 0 0 323.418 0.775 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([C@@H](C)O)CC1 ZINC000407955984 528707870 /nfs/dbraw/zinc/70/78/70/528707870.db2.gz KWAOPALQOHYCKS-VXGBXAGGSA-N 0 0 303.428 0.806 10 30 DCEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)C#N ZINC000359642287 528806097 /nfs/dbraw/zinc/80/60/97/528806097.db2.gz XVOGKYVXGAHPEC-LLVKDONJSA-N 0 0 301.412 0.857 10 30 DCEERN Cn1cc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4ncnn4C3)C2)cn1 ZINC000329455079 546050022 /nfs/dbraw/zinc/05/00/22/546050022.db2.gz PPNHUKIMAKYZFH-YPMHNXCESA-N 0 0 315.381 0.730 10 30 DCEERN C=CCC[C@@H]1NC(=O)N(Cc2ncc3c(n2)CCOC3)C1=O ZINC000348377073 546154236 /nfs/dbraw/zinc/15/42/36/546154236.db2.gz XNAACQPYENLFNU-LBPRGKRZSA-N 0 0 302.334 0.936 10 30 DCEERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3cccc(F)c3C#N)C2)C1 ZINC000888098269 661176936 /nfs/dbraw/zinc/17/69/36/661176936.db2.gz CRRNWXIFXZJJTP-JTQLQIEISA-N 0 0 316.336 0.480 10 30 DCEERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(OCC#N)cc1 ZINC000176231291 658004143 /nfs/dbraw/zinc/00/41/43/658004143.db2.gz VEBYJOBDZXDEDJ-UHFFFAOYSA-N 0 0 312.329 0.956 10 30 DCEERN COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000090713408 658412186 /nfs/dbraw/zinc/41/21/86/658412186.db2.gz WIVONIHEITYKEZ-SECBINFHSA-N 0 0 312.322 0.881 10 30 DCEERN C#CCOCCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000158526298 658485438 /nfs/dbraw/zinc/48/54/38/658485438.db2.gz SQJWCDWJQHTDBA-KBPBESRZSA-N 0 0 307.346 0.970 10 30 DCEERN C[C@H](C#N)NC(=O)c1cnn(C)c1I ZINC000307569168 662024102 /nfs/dbraw/zinc/02/41/02/662024102.db2.gz VQASRSPJWZQWQV-RXMQYKEDSA-N 0 0 304.091 0.667 10 30 DCEERN C#CCN(C(=O)c1cc(C)nn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000729335644 662788804 /nfs/dbraw/zinc/78/88/04/662788804.db2.gz SXYIATDXMLLNLU-GFCCVEGCSA-N 0 0 309.391 0.474 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000172650444 664623737 /nfs/dbraw/zinc/62/37/37/664623737.db2.gz ZDTQVKIEAJGPIJ-GXTWGEPZSA-N 0 0 313.357 0.767 10 30 DCEERN C=CCC(CC=C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000151520657 664661156 /nfs/dbraw/zinc/66/11/56/664661156.db2.gz LRBMHCZJAUAWEG-CYBMUJFWSA-N 0 0 324.402 0.721 10 30 DCEERN C#CCNC(=O)CN(CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000731032668 664833371 /nfs/dbraw/zinc/83/33/71/664833371.db2.gz FRTRBSGDPCUSBL-UHFFFAOYSA-N 0 0 310.300 0.689 10 30 DCEERN Cc1ccnc2nc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nn21 ZINC000732648293 664950175 /nfs/dbraw/zinc/95/01/75/664950175.db2.gz CSYHNDKMNFVQSG-GFCCVEGCSA-N 0 0 311.349 0.245 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCC(=O)NC2CCCC2)CCN1C1CC1 ZINC000732674953 664951751 /nfs/dbraw/zinc/95/17/51/664951751.db2.gz NUERXCZNARYBBN-CQSZACIVSA-N 0 0 319.409 0.427 10 30 DCEERN C#CCN1CCN(C(=O)/C=C\c2cncc(C(=O)NC)c2)CC1 ZINC000733161564 665078687 /nfs/dbraw/zinc/07/86/87/665078687.db2.gz YXSVWMPKKYRBSF-PLNGDYQASA-N 0 0 312.373 0.232 10 30 DCEERN N#C[C@@H](C(=O)CCC1CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000175158226 665314112 /nfs/dbraw/zinc/31/41/12/665314112.db2.gz DRYKZWGPFDUXLO-LBPRGKRZSA-N 0 0 312.391 0.533 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(OCCC(=O)NC)cc1 ZINC000733673257 666795969 /nfs/dbraw/zinc/79/59/69/666795969.db2.gz VDYJUBYQNBNMRI-UHFFFAOYSA-N 0 0 317.345 0.280 10 30 DCEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000701337458 666832144 /nfs/dbraw/zinc/83/21/44/666832144.db2.gz UDPFKZNPOQGTTG-AXFHLTTASA-N 0 0 302.421 0.715 10 30 DCEERN C#CC1(O)CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000708183625 667442241 /nfs/dbraw/zinc/44/22/41/667442241.db2.gz QDALBDWMHDWHLJ-UHFFFAOYSA-N 0 0 300.424 0.956 10 30 DCEERN C[C@@H](Cn1cccn1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742176577 667782391 /nfs/dbraw/zinc/78/23/91/667782391.db2.gz KHWUVIJQVYFFOR-JTQLQIEISA-N 0 0 305.363 0.903 10 30 DCEERN C#CCCN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000127288666 668761367 /nfs/dbraw/zinc/76/13/67/668761367.db2.gz WRUSMFSDJARYAS-SJORKVTESA-N 0 0 319.449 0.797 10 30 DCEERN N#CC(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccn1 ZINC000041481226 669823963 /nfs/dbraw/zinc/82/39/63/669823963.db2.gz XERLJCMLEDZMLA-GFCCVEGCSA-N 0 0 320.308 0.961 10 30 DCEERN CCN1CN(C(=O)NCc2ccc(OCC#N)cc2)CC1=O ZINC000189858971 670168680 /nfs/dbraw/zinc/16/86/80/670168680.db2.gz WJAVZYWGGWPZML-UHFFFAOYSA-N 0 0 302.334 0.920 10 30 DCEERN C#CC[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000079211301 670183434 /nfs/dbraw/zinc/18/34/34/670183434.db2.gz ZXNGQFNMHTXFPK-MMQHEFTJSA-N 0 0 302.330 0.442 10 30 DCEERN N#CC1(COC(=O)[C@@H]2COCCN2CC(F)F)CCOCC1 ZINC000194999154 670463520 /nfs/dbraw/zinc/46/35/20/670463520.db2.gz UYXGJYNLUCMSJX-NSHDSACASA-N 0 0 318.320 0.816 10 30 DCEERN N#C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CC1 ZINC000108837242 670842905 /nfs/dbraw/zinc/84/29/05/670842905.db2.gz ADURCYTWLGQZGS-ZIAGYGMSSA-N 0 0 311.345 0.525 10 30 DCEERN C=CCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000489837852 685294749 /nfs/dbraw/zinc/29/47/49/685294749.db2.gz RGBILYNFBBUUGX-GXTWGEPZSA-N 0 0 317.407 0.794 10 30 DCEERN COCC(=O)NC1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C1 ZINC000328787810 1157825874 /nfs/dbraw/zinc/82/58/74/1157825874.db2.gz XGOCDYAGWSRNAV-LLVKDONJSA-N 0 0 311.382 0.591 10 30 DCEERN C=CCOC[C@@H](NC(=O)Cc1cccc(OC)n1)C(=O)OC ZINC000338929554 1158852539 /nfs/dbraw/zinc/85/25/39/1158852539.db2.gz PJZYXWCNYCGMIE-GFCCVEGCSA-N 0 0 308.334 0.493 10 30 DCEERN C=C1[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000005480544 762893367 /nfs/dbraw/zinc/89/33/67/762893367.db2.gz QCKHQBAUOKIUCT-CRWXNKLISA-N 0 0 308.378 0.379 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000278769071 214387140 /nfs/dbraw/zinc/38/71/40/214387140.db2.gz PIRAKKVIBXQBPH-NSHDSACASA-N 0 0 302.338 0.936 10 30 DCEERN Cc1cccc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c1C#N ZINC000181399340 199291161 /nfs/dbraw/zinc/29/11/61/199291161.db2.gz BSMAHXKEIHYYOD-OAHLLOKOSA-N 0 0 324.402 0.934 10 30 DCEERN CNC(=O)Cn1cnc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000187437258 529877622 /nfs/dbraw/zinc/87/76/22/529877622.db2.gz OMBRTKNMHLJFKE-UHFFFAOYSA-N 0 0 324.344 0.566 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408338447 529869234 /nfs/dbraw/zinc/86/92/34/529869234.db2.gz ZOCGMKHMEMDLBE-QWHCGFSZSA-N 0 0 301.412 0.704 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000172646439 198131300 /nfs/dbraw/zinc/13/13/00/198131300.db2.gz AMUYAGKTIJYCKC-GFCCVEGCSA-N 0 0 314.345 0.542 10 30 DCEERN N#CC1(CS(=O)(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000165102994 237116915 /nfs/dbraw/zinc/11/69/15/237116915.db2.gz RCIVDMKIFIMNRF-UHFFFAOYSA-N 0 0 307.379 0.232 10 30 DCEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CCO)[C@H](C)C1 ZINC000187718881 200148263 /nfs/dbraw/zinc/14/82/63/200148263.db2.gz GJEKVMLQGBUZDC-KGLIPLIRSA-N 0 0 316.405 0.884 10 30 DCEERN Cc1nnc([C@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCO2)[nH]1 ZINC000247010956 238160895 /nfs/dbraw/zinc/16/08/95/238160895.db2.gz OLVVKMBZWPIQCH-ZYHUDNBSSA-N 0 0 306.370 0.247 10 30 DCEERN CN(C)c1ncc(NC(=O)C(=O)NCc2cccc(C#N)c2)cn1 ZINC000163328962 291246506 /nfs/dbraw/zinc/24/65/06/291246506.db2.gz YCSRNGPJIUDWJA-UHFFFAOYSA-N 0 0 324.344 0.669 10 30 DCEERN COCCNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000328640736 238551612 /nfs/dbraw/zinc/55/16/12/238551612.db2.gz QCXUDNAVIYURCG-QWRGUYRKSA-N 0 0 315.349 0.440 10 30 DCEERN [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CCCC[C@H]1CCO ZINC000329508865 238629683 /nfs/dbraw/zinc/62/96/83/238629683.db2.gz MDLSDBDNVUPWNH-RWMBFGLXSA-N 0 0 309.370 0.369 10 30 DCEERN COC[C@@H](CO)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000357691396 239033530 /nfs/dbraw/zinc/03/35/30/239033530.db2.gz AKEWMWAQHQMWHC-YGRLFVJLSA-N 0 0 300.355 0.372 10 30 DCEERN N#C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)CCN1C1CC1 ZINC000369222319 239165163 /nfs/dbraw/zinc/16/51/63/239165163.db2.gz WDLWUPWOSJJXBN-OAHLLOKOSA-N 0 0 312.373 0.615 10 30 DCEERN Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000370527640 239177425 /nfs/dbraw/zinc/17/74/25/239177425.db2.gz PXMMVBPAKMZKDQ-ZDUSSCGKSA-N 0 0 313.361 0.527 10 30 DCEERN N#C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)CCN1C1CC1 ZINC000371620695 239184926 /nfs/dbraw/zinc/18/49/26/239184926.db2.gz CNIUSOAJBJJGEM-NSHDSACASA-N 0 0 304.375 0.659 10 30 DCEERN Cc1nn(C)c(C)c1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371846710 239187079 /nfs/dbraw/zinc/18/70/79/239187079.db2.gz FKAGBTVAVRCZGI-AWEZNQCLSA-N 0 0 316.409 0.919 10 30 DCEERN Cc1nn(C)c(C)c1OCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370441177 239174324 /nfs/dbraw/zinc/17/43/24/239174324.db2.gz KOJJDRCHNLTEDQ-CQSZACIVSA-N 0 0 317.393 0.615 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000375708423 239222264 /nfs/dbraw/zinc/22/22/64/239222264.db2.gz UUJNMXPYKDDVTL-VXGBXAGGSA-N 0 0 312.399 0.394 10 30 DCEERN N#C[C@H]1COCCN1C(=O)CN1C(=O)CSc2ccccc21 ZINC000408232677 239264022 /nfs/dbraw/zinc/26/40/22/239264022.db2.gz PQTLZVONZLFQJN-NSHDSACASA-N 0 0 317.370 0.876 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000407957855 239255756 /nfs/dbraw/zinc/25/57/56/239255756.db2.gz PVQIKWBPJLFBMQ-DTWKUNHWSA-N 0 0 315.317 0.322 10 30 DCEERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@@H](C#N)C1 ZINC000408095161 239261067 /nfs/dbraw/zinc/26/10/67/239261067.db2.gz LRNKZRAGWYHFMA-QMMMGPOBSA-N 0 0 315.376 0.069 10 30 DCEERN N#C[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCO1 ZINC000408095763 239261708 /nfs/dbraw/zinc/26/17/08/239261708.db2.gz QAZOOTNXBJTJLY-ZDUSSCGKSA-N 0 0 317.349 0.674 10 30 DCEERN C=CCC1(C(=O)N[C@@H](CC)CNS(C)(=O)=O)CCOCC1 ZINC000424863134 240269675 /nfs/dbraw/zinc/26/96/75/240269675.db2.gz JIKMOTDNXNEUDI-LBPRGKRZSA-N 0 0 318.439 0.803 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cc(C)c(C#N)cn1)C(=O)OC ZINC000457797868 241037876 /nfs/dbraw/zinc/03/78/76/241037876.db2.gz YWTZYCVTOSTKEE-CYBMUJFWSA-N 0 0 303.318 0.736 10 30 DCEERN C=CCNC(=O)Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC000012878787 181806415 /nfs/dbraw/zinc/80/64/15/181806415.db2.gz DYJWUQCLSRCQJO-VIFPVBQESA-N 0 0 308.363 0.205 10 30 DCEERN COCCS(=O)(=O)N(C)Cc1cc(C#CCO)cs1 ZINC000042810785 183311173 /nfs/dbraw/zinc/31/11/73/183311173.db2.gz VCEZOBSFHGBVEO-UHFFFAOYSA-N 0 0 303.405 0.500 10 30 DCEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000061889815 184192542 /nfs/dbraw/zinc/19/25/42/184192542.db2.gz LBJPVOVVDPJPHJ-MWLCHTKSSA-N 0 0 306.409 0.175 10 30 DCEERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)[C@H](C)CC#N ZINC000408206529 533037451 /nfs/dbraw/zinc/03/74/51/533037451.db2.gz OQBVWVJNLQPRNX-BDAKNGLRSA-N 0 0 307.397 0.013 10 30 DCEERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]2N1C ZINC000248008866 257111594 /nfs/dbraw/zinc/11/15/94/257111594.db2.gz CZZYJEHMDHYXGZ-SOUVJXGZSA-N 0 0 312.373 0.449 10 30 DCEERN COc1c2cnn(C)c2ncc1C(=O)N1CCOC[C@H]1C#N ZINC000408180115 533452209 /nfs/dbraw/zinc/45/22/09/533452209.db2.gz MRIYRAFHECQWKE-SECBINFHSA-N 0 0 301.306 0.341 10 30 DCEERN Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1C#N ZINC000284381802 131075436 /nfs/dbraw/zinc/07/54/36/131075436.db2.gz AQJHLPZHAGVYFN-ZYHUDNBSSA-N 0 0 307.375 0.609 10 30 DCEERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000285098363 131137839 /nfs/dbraw/zinc/13/78/39/131137839.db2.gz PXRKPGIBUHHNOW-CABCVRRESA-N 0 0 321.402 0.652 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000015801030 395690207 /nfs/dbraw/zinc/69/02/07/395690207.db2.gz NHTSNCCWVFRTQP-DGCLKSJQSA-N 0 0 322.386 0.971 10 30 DCEERN CCC[C@H](C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000092004466 395728379 /nfs/dbraw/zinc/72/83/79/395728379.db2.gz MNCJPQBPAXBBBX-VXGBXAGGSA-N 0 0 301.412 0.999 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nc(CCC)no2)CC1 ZINC000042632524 395747026 /nfs/dbraw/zinc/74/70/26/395747026.db2.gz DCVLWTMSETYLMY-UHFFFAOYSA-N 0 0 307.398 0.442 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1 ZINC000273458875 395923433 /nfs/dbraw/zinc/92/34/33/395923433.db2.gz VKSXEUUHBWFUEX-JTQLQIEISA-N 0 0 323.349 0.194 10 30 DCEERN C=CC[C@H](CO)NC(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000273511733 395926035 /nfs/dbraw/zinc/92/60/35/395926035.db2.gz RVUNJBIUENDLDT-CQSZACIVSA-N 0 0 305.378 0.847 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)cc1 ZINC000120154994 395881465 /nfs/dbraw/zinc/88/14/65/395881465.db2.gz MINUSMBLNMDMCF-CQSZACIVSA-N 0 0 310.375 0.626 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000053605157 395886619 /nfs/dbraw/zinc/88/66/19/395886619.db2.gz XOIGTUDBVBHURY-UHFFFAOYSA-N 0 0 305.382 0.367 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000274315504 395938900 /nfs/dbraw/zinc/93/89/00/395938900.db2.gz YVJFBKOPHGKGCV-AWEZNQCLSA-N 0 0 311.426 0.496 10 30 DCEERN CC(C)[C@H](O)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000246335198 395946900 /nfs/dbraw/zinc/94/69/00/395946900.db2.gz TYVKDUWDQCDPBT-GXTWGEPZSA-N 0 0 317.393 0.792 10 30 DCEERN C=C(CN1C(=O)N[C@@](C)(c2ccccn2)C1=O)C(=O)OCC ZINC000274871946 395983897 /nfs/dbraw/zinc/98/38/97/395983897.db2.gz ARYIKYFJGRZXJP-HNNXBMFYSA-N 0 0 303.318 0.968 10 30 DCEERN C=CCCO[C@@H](C)C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000074135827 396158249 /nfs/dbraw/zinc/15/82/49/396158249.db2.gz VMCJFFFTMYKQCO-ZDUSSCGKSA-N 0 0 316.467 0.927 10 30 DCEERN C=CCCC[C@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000182604201 396251463 /nfs/dbraw/zinc/25/14/63/396251463.db2.gz HJOFIMYVDDXYMC-NSHDSACASA-N 0 0 303.366 0.991 10 30 DCEERN N#Cc1ccc(OCCNC(=O)NCCCn2ccnn2)cc1 ZINC000182773387 396254433 /nfs/dbraw/zinc/25/44/33/396254433.db2.gz ZZUMEKIJWQTLCI-UHFFFAOYSA-N 0 0 314.349 0.918 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000183216162 396264609 /nfs/dbraw/zinc/26/46/09/396264609.db2.gz HAKIICIBOXQAJU-LBPRGKRZSA-N 0 0 314.345 0.864 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000184299401 396290115 /nfs/dbraw/zinc/29/01/15/396290115.db2.gz AQDIORXVYAPPST-OAHLLOKOSA-N 0 0 322.386 0.879 10 30 DCEERN CC[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185466199 396328260 /nfs/dbraw/zinc/32/82/60/396328260.db2.gz DBRCPONIDFSKQV-SNVBAGLBSA-N 0 0 312.333 0.992 10 30 DCEERN C[C@H](CS(C)(=O)=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185998253 396339284 /nfs/dbraw/zinc/33/92/84/396339284.db2.gz NIYCLGOAFHUWMB-SNVBAGLBSA-N 0 0 305.363 0.984 10 30 DCEERN CO[C@@H](C)CS(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000193342567 396449235 /nfs/dbraw/zinc/44/92/35/396449235.db2.gz QHTLMURJZZLBSB-JTQLQIEISA-N 0 0 321.362 0.916 10 30 DCEERN C=CCn1cc(CNC(=O)Cn2cnc3c2CCCC3)nn1 ZINC000581811964 396583786 /nfs/dbraw/zinc/58/37/86/396583786.db2.gz HKZXYAMPURPUMW-UHFFFAOYSA-N 0 0 300.366 0.856 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000595166266 396559262 /nfs/dbraw/zinc/55/92/62/396559262.db2.gz WYMVGQUOKUSIHK-NSHDSACASA-N 0 0 313.423 0.101 10 30 DCEERN CC(=O)c1ccc(C#N)cc1N1CC[C@H](NS(C)(=O)=O)C1 ZINC000581722254 396578281 /nfs/dbraw/zinc/57/82/81/396578281.db2.gz VRYQFAPYOIXGOV-LBPRGKRZSA-N 0 0 307.375 0.889 10 30 DCEERN N#Cc1cc2c(nc1N1CC[C@@](O)(Cn3ccnn3)C1)CCC2 ZINC000585788311 396655991 /nfs/dbraw/zinc/65/59/91/396655991.db2.gz BBYGFVYYGDGEBG-INIZCTEOSA-N 0 0 310.361 0.675 10 30 DCEERN C[C@H]1OCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H]1C ZINC000586860989 396669495 /nfs/dbraw/zinc/66/94/95/396669495.db2.gz UOVQVQJUVRCKCA-WDEREUQCSA-N 0 0 319.336 0.949 10 30 DCEERN C=CCn1cc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)nn1 ZINC000617493613 396738931 /nfs/dbraw/zinc/73/89/31/396738931.db2.gz VZVKYXMOKWEHKF-LBPRGKRZSA-N 0 0 311.345 0.782 10 30 DCEERN C=CCN(C(=O)c1ccc(=O)n(CCCOC)n1)[C@H](C)COC ZINC000617584933 396760507 /nfs/dbraw/zinc/76/05/07/396760507.db2.gz OTEWWHDITHTEPZ-CYBMUJFWSA-N 0 0 323.393 0.943 10 30 DCEERN C=CCOCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629441132 396760737 /nfs/dbraw/zinc/76/07/37/396760737.db2.gz SUJMPKYSZQIRBI-OAHLLOKOSA-N 0 0 305.378 0.601 10 30 DCEERN C=CCOCCCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000596816220 396837873 /nfs/dbraw/zinc/83/78/73/396837873.db2.gz LYEHCNJMHGLJSH-CYBMUJFWSA-N 0 0 313.398 0.325 10 30 DCEERN C=CCn1c(COCCOC)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000634339106 396843786 /nfs/dbraw/zinc/84/37/86/396843786.db2.gz XPXVNMVLCPEPIE-TXEJJXNPSA-N 0 0 323.397 0.327 10 30 DCEERN C[C@@H]1SCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)[C@H]1C ZINC000329491847 396845893 /nfs/dbraw/zinc/84/58/93/396845893.db2.gz SYKFFOKTPTYBDF-FIQHERPVSA-N 0 0 311.411 0.958 10 30 DCEERN C=CCCS(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000625422167 396867598 /nfs/dbraw/zinc/86/75/98/396867598.db2.gz UZKZPVKBKDYQJT-LLVKDONJSA-N 0 0 322.394 0.199 10 30 DCEERN C=C(C)[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)NC)OCC ZINC000634517335 396878433 /nfs/dbraw/zinc/87/84/33/396878433.db2.gz AHTOJYOVKQUOQK-CHWSQXEVSA-N 0 0 313.398 0.514 10 30 DCEERN C=CCOCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000611545044 396885077 /nfs/dbraw/zinc/88/50/77/396885077.db2.gz OAWMHVFGKLXIPX-UHFFFAOYSA-N 0 0 307.306 0.643 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](COC)C1 ZINC000625561173 396923908 /nfs/dbraw/zinc/92/39/08/396923908.db2.gz IKBLGHOPRSNARF-OLZOCXBDSA-N 0 0 312.410 0.967 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000625557256 396922738 /nfs/dbraw/zinc/92/27/38/396922738.db2.gz NOHRGKRZRMGOCO-LBPRGKRZSA-N 0 0 309.410 0.819 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000611786611 396929492 /nfs/dbraw/zinc/92/94/92/396929492.db2.gz QNXPCFVYUYILOH-QWHCGFSZSA-N 0 0 309.410 0.973 10 30 DCEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCn1ccnn1 ZINC000611797390 396930529 /nfs/dbraw/zinc/93/05/29/396930529.db2.gz VFDGHUALTJGIFA-CQSZACIVSA-N 0 0 307.354 0.656 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC2(COC2)C1 ZINC000611875739 396943204 /nfs/dbraw/zinc/94/32/04/396943204.db2.gz VDNWOKUIIFWBHG-OLZOCXBDSA-N 0 0 308.378 0.333 10 30 DCEERN C=CC[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000625705175 396982377 /nfs/dbraw/zinc/98/23/77/396982377.db2.gz YIENQVYHYGJLOO-HNNXBMFYSA-N 0 0 322.453 0.117 10 30 DCEERN C=C[C@@](C)(O)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000612172059 397011332 /nfs/dbraw/zinc/01/13/32/397011332.db2.gz OPXRWECTUMQOIY-OAHLLOKOSA-N 0 0 302.334 0.829 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000612306775 397027881 /nfs/dbraw/zinc/02/78/81/397027881.db2.gz AVBZHRMTYWWKAX-CABCVRRESA-N 0 0 309.410 0.390 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000597608389 397029682 /nfs/dbraw/zinc/02/96/82/397029682.db2.gz FAPAZRNHYRCZPM-MPBGBICISA-N 0 0 300.424 0.875 10 30 DCEERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000591666021 396970400 /nfs/dbraw/zinc/97/04/00/396970400.db2.gz SNDJQOYNLBJBRA-MRXNPFEDSA-N 0 0 316.361 0.629 10 30 DCEERN CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000591673825 396972752 /nfs/dbraw/zinc/97/27/52/396972752.db2.gz JPCOYXPWPBXOFN-INIZCTEOSA-N 0 0 301.346 0.661 10 30 DCEERN C=CCN1CC[C@H](N2CCC[C@H](CS(=O)(=O)NC)C2)C1=O ZINC000626167585 397099218 /nfs/dbraw/zinc/09/92/18/397099218.db2.gz YEWFSAKVCMDPAV-STQMWFEESA-N 0 0 315.439 0.035 10 30 DCEERN C=C1CC(C)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000630763322 397100738 /nfs/dbraw/zinc/10/07/38/397100738.db2.gz JTTZOHGKVHUWDV-UHFFFAOYSA-N 0 0 319.405 0.636 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1=O ZINC000348581372 397046717 /nfs/dbraw/zinc/04/67/17/397046717.db2.gz QCNDJHVQKMZWMZ-WISYIIOYSA-N 0 0 307.350 0.119 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)c1ccnc(N2CCOCC2)n1 ZINC000626361722 397146014 /nfs/dbraw/zinc/14/60/14/397146014.db2.gz OSQCJQKPTBIZEA-GFCCVEGCSA-N 0 0 306.366 0.228 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CC)C(=O)N2CCOCC2)C1=O ZINC000630978311 397150528 /nfs/dbraw/zinc/15/05/28/397150528.db2.gz ZNLQQSBXJRDDIR-RYUDHWBXSA-N 0 0 309.366 0.510 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(C2CCN(C(=O)CCOC)CC2)C1=O ZINC000630981618 397151332 /nfs/dbraw/zinc/15/13/32/397151332.db2.gz IPIQEBGIYLMUOL-CYBMUJFWSA-N 0 0 323.393 0.901 10 30 DCEERN C=CCn1cc(CN2C(=O)N3C[C@H](OC)C[C@]3(C)C2=O)nn1 ZINC000630985207 397152705 /nfs/dbraw/zinc/15/27/05/397152705.db2.gz IZHNNZINBUWLQD-BXUZGUMPSA-N 0 0 305.338 0.406 10 30 DCEERN COC(=O)C[C@@H]1CCCCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619588154 397154211 /nfs/dbraw/zinc/15/42/11/397154211.db2.gz ZGULFHALNPXONC-QWRGUYRKSA-N 0 0 305.338 0.655 10 30 DCEERN C=CCn1cc(CNS(=O)(=O)C[C@@H](OC)C2CC2)nn1 ZINC000573320431 397157599 /nfs/dbraw/zinc/15/75/99/397157599.db2.gz XQGMMAXYPYKUBQ-GFCCVEGCSA-N 0 0 300.384 0.309 10 30 DCEERN C[C@H](C(=O)N1C[C@H](C)OC2(CCOCC2)C1)n1cnc(C#N)n1 ZINC000619617402 397161951 /nfs/dbraw/zinc/16/19/51/397161951.db2.gz FXCKNPJFDKOXBY-NWDGAFQWSA-N 0 0 319.365 0.507 10 30 DCEERN C[C@@H](C(=O)N1C[C@H](C)OC2(CCOCC2)C1)n1cnc(C#N)n1 ZINC000619617403 397162153 /nfs/dbraw/zinc/16/21/53/397162153.db2.gz FXCKNPJFDKOXBY-RYUDHWBXSA-N 0 0 319.365 0.507 10 30 DCEERN C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CCN1S(C)(=O)=O ZINC000598219783 397189497 /nfs/dbraw/zinc/18/94/97/397189497.db2.gz KQUPSTWMQQZTQJ-GFCCVEGCSA-N 0 0 321.402 0.859 10 30 DCEERN CCN1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2C)C1=O ZINC000619798272 397194054 /nfs/dbraw/zinc/19/40/54/397194054.db2.gz IBXCKAMUIILJNL-LBPRGKRZSA-N 0 0 307.375 0.766 10 30 DCEERN CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000619843300 397199219 /nfs/dbraw/zinc/19/92/19/397199219.db2.gz SVBFQPYKYXTKMT-GFCCVEGCSA-N 0 0 300.318 0.234 10 30 DCEERN CCN1CC[C@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)C1=O ZINC000619856162 397199618 /nfs/dbraw/zinc/19/96/18/397199618.db2.gz YOUVMTVNMZICPW-KBPBESRZSA-N 0 0 301.346 0.983 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000378279411 397222577 /nfs/dbraw/zinc/22/25/77/397222577.db2.gz BGONUPXCLCSFBD-NSHDSACASA-N 0 0 312.420 0.812 10 30 DCEERN C=C(C)C[C@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OC ZINC000601780231 397243225 /nfs/dbraw/zinc/24/32/25/397243225.db2.gz BRDIMICRIMOJGV-LBPRGKRZSA-N 0 0 308.334 0.486 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)OC ZINC000601779133 397243303 /nfs/dbraw/zinc/24/33/03/397243303.db2.gz RQFMFTYKWUDRQN-NEPJUHHUSA-N 0 0 312.366 0.105 10 30 DCEERN C=C(C)C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)OC ZINC000601786252 397243799 /nfs/dbraw/zinc/24/37/99/397243799.db2.gz XOAJJLITJMLTIH-NSHDSACASA-N 0 0 322.365 0.005 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000387397859 397294619 /nfs/dbraw/zinc/29/46/19/397294619.db2.gz DMLJKOXWSUDDLP-JTQLQIEISA-N 0 0 308.363 0.148 10 30 DCEERN C=CCCSCCNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000602178272 397334672 /nfs/dbraw/zinc/33/46/72/397334672.db2.gz IYBYGHWHGFIMIA-STQMWFEESA-N 0 0 322.434 0.842 10 30 DCEERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N(C)CCC#N)[C@H]2C1 ZINC000407989481 397342716 /nfs/dbraw/zinc/34/27/16/397342716.db2.gz HKZZTWKUSMYROJ-AGIUHOORSA-N 0 0 317.411 0.345 10 30 DCEERN CNC(=O)N[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408254700 397351184 /nfs/dbraw/zinc/35/11/84/397351184.db2.gz FKMBZXRQPOIPFW-OLZOCXBDSA-N 0 0 321.425 0.721 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000593419705 397367193 /nfs/dbraw/zinc/36/71/93/397367193.db2.gz UPZKAXDGGRYFBL-CYDGBPFRSA-N 0 0 312.366 0.549 10 30 DCEERN C=CCOc1ccccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458151649 397428455 /nfs/dbraw/zinc/42/84/55/397428455.db2.gz WSIDSFGNRSNQMG-GFCCVEGCSA-N 0 0 302.334 0.634 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000614180170 397393595 /nfs/dbraw/zinc/39/35/95/397393595.db2.gz WTWYXPSOMHUIPZ-UKRRQHHQSA-N 0 0 311.426 0.636 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)NCc1ccco1 ZINC000425426404 397405072 /nfs/dbraw/zinc/40/50/72/397405072.db2.gz QNPSNSBQLABRGU-AAEUAGOBSA-N 0 0 307.350 0.786 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC(C)(C)C#N ZINC000599968907 397554754 /nfs/dbraw/zinc/55/47/54/397554754.db2.gz RUJWNEAILJIUAY-UHFFFAOYSA-N 0 0 324.425 0.804 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000579592768 397582973 /nfs/dbraw/zinc/58/29/73/397582973.db2.gz GVMOYAYZONXQIG-OAHLLOKOSA-N 0 0 310.419 0.922 10 30 DCEERN CC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccccc2CC#N)C1 ZINC000603380791 397604108 /nfs/dbraw/zinc/60/41/08/397604108.db2.gz QIHZWOYHJQFRTI-ZDUSSCGKSA-N 0 0 321.402 0.899 10 30 DCEERN N#CCCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000609146840 397762140 /nfs/dbraw/zinc/76/21/40/397762140.db2.gz BMIXIKMALMVVMV-UHFFFAOYSA-N 0 0 302.400 0.405 10 30 DCEERN CC(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609471407 397776419 /nfs/dbraw/zinc/77/64/19/397776419.db2.gz FXUSZKSNUIJIPX-GJZGRUSLSA-N 0 0 306.410 0.690 10 30 DCEERN CS(=O)(=O)NC1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000610519227 397828947 /nfs/dbraw/zinc/82/89/47/397828947.db2.gz QPIAHKGOCCTJSB-UHFFFAOYSA-N 0 0 321.402 0.641 10 30 DCEERN COC(=O)c1cn(CC(=O)NCc2ccc(C#N)cc2F)nn1 ZINC000610472873 397824105 /nfs/dbraw/zinc/82/41/05/397824105.db2.gz GAXSKGYCBLMNJL-UHFFFAOYSA-N 0 0 317.280 0.392 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000081558048 158085940 /nfs/dbraw/zinc/08/59/40/158085940.db2.gz UNSBZQVWLBIJIC-CQSZACIVSA-N 0 0 316.361 0.360 10 30 DCEERN N#Cc1ccccc1OCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114855615 158157960 /nfs/dbraw/zinc/15/79/60/158157960.db2.gz HUULOZFYMQYODJ-HNNXBMFYSA-N 0 0 315.373 0.916 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000126582711 158266607 /nfs/dbraw/zinc/26/66/07/158266607.db2.gz BCDHDXJZLIJFKY-QGZVFWFLSA-N 0 0 317.389 0.680 10 30 DCEERN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000172649570 158397728 /nfs/dbraw/zinc/39/77/28/158397728.db2.gz YJTSPSJRQGUGSU-DGCLKSJQSA-N 0 0 314.345 0.657 10 30 DCEERN Cc1noc([C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCN2C)n1 ZINC000408031752 160016521 /nfs/dbraw/zinc/01/65/21/160016521.db2.gz PEMSCYBFDWJTNX-GFCCVEGCSA-N 0 0 300.322 0.707 10 30 DCEERN Cc1cc(C#N)nc(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000408107726 160037085 /nfs/dbraw/zinc/03/70/85/160037085.db2.gz QFKMJPRADHLEJY-NEPJUHHUSA-N 0 0 309.395 0.929 10 30 DCEERN Cc1onc(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C#N ZINC000408151969 160048260 /nfs/dbraw/zinc/04/82/60/160048260.db2.gz YWJGDAJRWLDEKB-NHYWBVRUSA-N 0 0 318.377 0.576 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1C#N ZINC000408361069 160092143 /nfs/dbraw/zinc/09/21/43/160092143.db2.gz CDNJAZXUJZYDJN-NEPJUHHUSA-N 0 0 308.407 0.975 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000080942797 286927525 /nfs/dbraw/zinc/92/75/25/286927525.db2.gz VAWWFJRWVLREDH-UHFFFAOYSA-N 0 0 324.387 0.536 10 30 DCEERN C=CC[NH+]1CCC(Nc2ccc(C(=O)NCCO)nn2)CC1 ZINC000488397237 412273712 /nfs/dbraw/zinc/27/37/12/412273712.db2.gz YZTOVMMWIBPHCW-UHFFFAOYSA-N 0 0 305.382 0.261 10 30 DCEERN Cc1nn(CCC#N)cc1CN=Nc1ncnc(N)c1[N+](=O)[O-] ZINC000009087018 415144951 /nfs/dbraw/zinc/14/49/51/415144951.db2.gz ORWJUZLGXZYAEK-YAXRCOADSA-N 0 0 315.297 0.832 10 30 DCEERN N#C[C@@H](c1ccccc1)N1CCN(CC(=O)NC(N)=O)CC1 ZINC000080906187 415479795 /nfs/dbraw/zinc/47/97/95/415479795.db2.gz IICOZKSRGHRCQE-ZDUSSCGKSA-N 0 0 301.350 0.064 10 30 DCEERN C#CCOc1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1OCC ZINC000093884254 415549622 /nfs/dbraw/zinc/54/96/22/415549622.db2.gz IBQRXLZVUUBZEC-CZUORRHYSA-N 0 0 316.357 0.927 10 30 DCEERN C=CCOc1ccccc1CNC(=O)C(=O)N1CC(CO)C1 ZINC000287567343 415671704 /nfs/dbraw/zinc/67/17/04/415671704.db2.gz ZJTDSIWUISXGGD-UHFFFAOYSA-N 0 0 304.346 0.318 10 30 DCEERN C#CCC(CC#C)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000288414528 415681028 /nfs/dbraw/zinc/68/10/28/415681028.db2.gz NFYGYKFREOXYEA-UHFFFAOYSA-N 0 0 303.406 0.272 10 30 DCEERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCCC#N)CC2 ZINC000114874969 415724521 /nfs/dbraw/zinc/72/45/21/415724521.db2.gz AJAVCWAFGFEASQ-NSHDSACASA-N 0 0 311.411 0.769 10 30 DCEERN C#CCCN1CCN(S(=O)(=O)c2cnccc2OCC)CC1 ZINC000289239359 415700420 /nfs/dbraw/zinc/70/04/20/415700420.db2.gz WFQMSKVWXNIICQ-UHFFFAOYSA-N 0 0 323.418 0.810 10 30 DCEERN CC#CCNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000120486206 415770389 /nfs/dbraw/zinc/77/03/89/415770389.db2.gz YMELMHNAAXIEJE-JTQLQIEISA-N 0 0 305.359 0.253 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1ncccc1S(C)(=O)=O ZINC000354981940 415834350 /nfs/dbraw/zinc/83/43/50/415834350.db2.gz LZQHHWPCCRDBIA-JTQLQIEISA-N 0 0 313.379 0.221 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000123066566 415839485 /nfs/dbraw/zinc/83/94/85/415839485.db2.gz ARNQVIWBYFVPQW-SNVBAGLBSA-N 0 0 321.280 0.641 10 30 DCEERN C=CCCCN(C)C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000290546166 415817382 /nfs/dbraw/zinc/81/73/82/415817382.db2.gz QYISRCMGNMKGSF-UHFFFAOYSA-N 0 0 315.395 0.994 10 30 DCEERN C=CCSCCNC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000336961708 415876445 /nfs/dbraw/zinc/87/64/45/415876445.db2.gz CJFVZDQRLMFUGZ-SNVBAGLBSA-N 0 0 307.441 0.368 10 30 DCEERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2C)C1 ZINC000126669742 415877488 /nfs/dbraw/zinc/87/74/88/415877488.db2.gz PGYWGXLXYOAWFT-ZDUSSCGKSA-N 0 0 307.375 0.766 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000337042572 415895998 /nfs/dbraw/zinc/89/59/98/415895998.db2.gz CJWURKDLPCSESO-GFCCVEGCSA-N 0 0 317.345 0.511 10 30 DCEERN C=CCN(Cc1cnc(OC)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000337149506 415916740 /nfs/dbraw/zinc/91/67/40/415916740.db2.gz HZBIZYZTOPYLKK-ZDUSSCGKSA-N 0 0 311.407 0.969 10 30 DCEERN C=CCCCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000293164664 415854281 /nfs/dbraw/zinc/85/42/81/415854281.db2.gz XOUWWGCREWDVPQ-UHFFFAOYSA-N 0 0 318.420 0.720 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@H](C)C2)CC1 ZINC000355134899 415856095 /nfs/dbraw/zinc/85/60/95/415856095.db2.gz COVHZTUZTBEYSU-ZIAGYGMSSA-N 0 0 324.425 0.183 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCO[C@H](C)C2)CC1 ZINC000355134892 415856699 /nfs/dbraw/zinc/85/66/99/415856699.db2.gz COVHZTUZTBEYSU-KGLIPLIRSA-N 0 0 324.425 0.183 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000297793690 415975144 /nfs/dbraw/zinc/97/51/44/415975144.db2.gz LSIYBDINEYMETK-ZDUSSCGKSA-N 0 0 322.409 0.474 10 30 DCEERN C=C(C)CN(CC)C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000297790592 415975445 /nfs/dbraw/zinc/97/54/45/415975445.db2.gz 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/nfs/dbraw/zinc/14/67/50/416146750.db2.gz HJJWYYDFQWZESZ-HNNXBMFYSA-N 0 0 320.397 0.780 10 30 DCEERN COC[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CC(C)(C)O1 ZINC000329113740 416151878 /nfs/dbraw/zinc/15/18/78/416151878.db2.gz HLLUHKBBOZUXFA-OLZOCXBDSA-N 0 0 315.414 0.357 10 30 DCEERN O=C(Cn1cccnc1=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000329581145 416177668 /nfs/dbraw/zinc/17/76/68/416177668.db2.gz VAXUTSDXBZUHOR-GFCCVEGCSA-N 0 0 314.349 0.659 10 30 DCEERN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cn(C)nn1 ZINC000340333764 416184415 /nfs/dbraw/zinc/18/44/15/416184415.db2.gz HKOLCFFVXDNDPG-UHFFFAOYSA-N 0 0 303.322 0.604 10 30 DCEERN O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCN(C2CC2)CC1 ZINC000329705711 416184806 /nfs/dbraw/zinc/18/48/06/416184806.db2.gz KNFLXCANQXTPHN-GFCCVEGCSA-N 0 0 315.439 0.505 10 30 DCEERN CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000329736811 416187716 /nfs/dbraw/zinc/18/77/16/416187716.db2.gz LRCNWKIUJRHPEQ-CYBMUJFWSA-N 0 0 312.414 0.175 10 30 DCEERN CC(C)Oc1ccc(NC(=O)NCCN2CCOCC2)nn1 ZINC000330009395 416194759 /nfs/dbraw/zinc/19/47/59/416194759.db2.gz HGQMTILECHRVGL-UHFFFAOYSA-N 0 0 309.370 0.922 10 30 DCEERN C=CCOCC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000341331790 416206587 /nfs/dbraw/zinc/20/65/87/416206587.db2.gz QHHDCNADKANYQY-LBPRGKRZSA-N 0 0 306.366 0.230 10 30 DCEERN CNC(=O)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000183645890 416249239 /nfs/dbraw/zinc/24/92/39/416249239.db2.gz SRCMIMHFJQRHAZ-CQSZACIVSA-N 0 0 323.418 0.692 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000350006970 416264721 /nfs/dbraw/zinc/26/47/21/416264721.db2.gz GQLSTWREQIREKG-GFCCVEGCSA-N 0 0 312.391 0.885 10 30 DCEERN N#Cc1ccc(NC(=O)CS(=O)(=O)Cc2ncccn2)cc1 ZINC000358704973 416270796 /nfs/dbraw/zinc/27/07/96/416270796.db2.gz GBBYOGWCDYBKFP-UHFFFAOYSA-N 0 0 316.342 0.902 10 30 DCEERN C=CCNc1nnc(S(=O)(=O)CC(=O)NC(C)(C)C)s1 ZINC000358735827 416275542 /nfs/dbraw/zinc/27/55/42/416275542.db2.gz PEJYINQAVPATCA-UHFFFAOYSA-N 0 0 318.424 0.824 10 30 DCEERN CS(=O)(=O)N1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000192524798 416307614 /nfs/dbraw/zinc/30/76/14/416307614.db2.gz DXKFZDSPRRMLDD-UHFFFAOYSA-N 0 0 308.363 0.061 10 30 DCEERN C#CCNC(=O)[C@H](C)N1CCC(Nc2nccc(OC)n2)CC1 ZINC000192860974 416311182 /nfs/dbraw/zinc/31/11/82/416311182.db2.gz ARFKNWMMEWDTEJ-LBPRGKRZSA-N 0 0 317.393 0.499 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000342213373 416295732 /nfs/dbraw/zinc/29/57/32/416295732.db2.gz QIOOBCOAQVGKLT-GFCCVEGCSA-N 0 0 315.373 0.777 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246530124 416332126 /nfs/dbraw/zinc/33/21/26/416332126.db2.gz RWYVBTACQHKRLO-HLLBOEOZSA-N 0 0 322.453 0.693 10 30 DCEERN CN1CCN(Cc2ccccc2)[C@H](CNc2cc(C#N)ncn2)C1 ZINC000596551652 416584518 /nfs/dbraw/zinc/58/45/18/416584518.db2.gz LYXWCYANQISMCU-QGZVFWFLSA-N 0 0 322.416 1.576 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000425657378 416717777 /nfs/dbraw/zinc/71/77/77/416717777.db2.gz FXRROIDPIHDKDF-JQWIXIFHSA-N 0 0 322.365 1.309 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000425908065 416737130 /nfs/dbraw/zinc/73/71/30/416737130.db2.gz FOFSRABIMNULMA-QPSCCSFWSA-N 0 0 323.437 0.635 10 30 DCEERN C=CCNC(=O)CS(=O)(=O)Cc1nc(C2CCCC2)no1 ZINC000443452798 416760457 /nfs/dbraw/zinc/76/04/57/416760457.db2.gz IUEYRJVIXRMJJI-UHFFFAOYSA-N 0 0 313.379 0.944 10 30 DCEERN COCCN(CCC#N)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000615257040 416797044 /nfs/dbraw/zinc/79/70/44/416797044.db2.gz QNRQJAQGRSTZIG-UHFFFAOYSA-N 0 0 315.333 0.661 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000564858502 416897511 /nfs/dbraw/zinc/89/75/11/416897511.db2.gz KXZDOOKTPRPIII-ZFWWWQNUSA-N 0 0 313.361 0.912 10 30 DCEERN C=CCNC(=O)CNC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000623861831 416909817 /nfs/dbraw/zinc/90/98/17/416909817.db2.gz DUUSGSDHNFEKNJ-UHFFFAOYSA-N 0 0 318.333 0.233 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC000519543878 416914846 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397140660 /nfs/dbraw/zinc/14/06/60/397140660.db2.gz QQOSMUVMUXFXIS-AWEZNQCLSA-N 0 0 321.402 0.458 10 30 DCEERN CCOC(=O)C1(CNC(=O)[C@H](C)n2cnc(C#N)n2)CCC1 ZINC000619593876 397154145 /nfs/dbraw/zinc/15/41/45/397154145.db2.gz KLPOYGUTDPDNFD-JTQLQIEISA-N 0 0 305.338 0.560 10 30 DCEERN CC(C)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)N1CCCC1 ZINC000619592468 397154393 /nfs/dbraw/zinc/15/43/93/397154393.db2.gz CXUYNUZJKMJMEF-AAEUAGOBSA-N 0 0 318.381 0.474 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)OC ZINC000601501951 397154875 /nfs/dbraw/zinc/15/48/75/397154875.db2.gz HZYHMPNWCIIVPM-NEPJUHHUSA-N 0 0 305.396 0.983 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)OC ZINC000601502707 397154995 /nfs/dbraw/zinc/15/49/95/397154995.db2.gz TZQNXIFGYBHJFV-LBPRGKRZSA-N 0 0 305.396 0.840 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)OC ZINC000601502339 397155056 /nfs/dbraw/zinc/15/50/56/397155056.db2.gz NXNIRNBQEQACKI-LLVKDONJSA-N 0 0 302.352 0.910 10 30 DCEERN C[C@H](C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)n1cnc(C#N)n1 ZINC000619596605 397155535 /nfs/dbraw/zinc/15/55/35/397155535.db2.gz CERPUNHJSZDENO-UTUOFQBUSA-N 0 0 305.338 0.117 10 30 DCEERN C=C[C@@](C)(O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149273 397178976 /nfs/dbraw/zinc/17/89/76/397178976.db2.gz FBRFDSBEKJHMSI-HFBAOOFYSA-N 0 0 311.378 0.740 10 30 DCEERN C[C@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)n1cnc(C#N)n1 ZINC000619610318 397158536 /nfs/dbraw/zinc/15/85/36/397158536.db2.gz VFCHCLFOLJBTDQ-OLZOCXBDSA-N 0 0 318.381 0.034 10 30 DCEERN C[C@H](C(=O)N1CCC[C@@H](Cn2ccnn2)C1)n1cnc(C#N)n1 ZINC000619614654 397159529 /nfs/dbraw/zinc/15/95/29/397159529.db2.gz IYGPXEZJBQYABQ-VXGBXAGGSA-N 0 0 314.353 0.241 10 30 DCEERN C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1)n1cnc(C#N)n1 ZINC000619613794 397159671 /nfs/dbraw/zinc/15/96/71/397159671.db2.gz WWXMTIYYUKABJO-VGMNWLOBSA-N 0 0 317.271 0.889 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000612643292 397111750 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C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000613263521 397232912 /nfs/dbraw/zinc/23/29/12/397232912.db2.gz VODWHGBPOYCUNI-CYBMUJFWSA-N 0 0 305.382 0.630 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000620314343 397258732 /nfs/dbraw/zinc/25/87/32/397258732.db2.gz AJSFZJHYMRILCX-TXEJJXNPSA-N 0 0 324.406 0.408 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000602267551 397358382 /nfs/dbraw/zinc/35/83/82/397358382.db2.gz YOMVYGTUPFFPNJ-GIPWTMENSA-N 0 0 302.440 0.978 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC000614372527 397427787 /nfs/dbraw/zinc/42/77/87/397427787.db2.gz JZMBJLQRTTUBPW-QWHCGFSZSA-N 0 0 321.381 0.276 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000614180278 397393267 /nfs/dbraw/zinc/39/32/67/397393267.db2.gz WTWYXPSOMHUIPZ-ZFWWWQNUSA-N 0 0 311.426 0.636 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000578708231 397471486 /nfs/dbraw/zinc/47/14/86/397471486.db2.gz 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/nfs/dbraw/zinc/20/94/23/158209423.db2.gz QFMIKGWHFMLWSZ-CQSZACIVSA-N 0 0 314.345 0.624 10 30 DCEERN N#Cc1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000129034849 158284631 /nfs/dbraw/zinc/28/46/31/158284631.db2.gz LRXKYEBYKYEVNF-INIZCTEOSA-N 0 0 317.389 0.300 10 30 DCEERN N#Cc1ccc(OC2CN(S(=O)(=O)N3CCCC3)C2)cc1 ZINC000329687352 159111722 /nfs/dbraw/zinc/11/17/22/159111722.db2.gz YXIYAOFLVNQGDU-UHFFFAOYSA-N 0 0 307.375 0.962 10 30 DCEERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000408029567 160015487 /nfs/dbraw/zinc/01/54/87/160015487.db2.gz UMQRCBCBJRVARN-CABCVRRESA-N 0 0 321.402 0.652 10 30 DCEERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000408029569 160015988 /nfs/dbraw/zinc/01/59/88/160015988.db2.gz UMQRCBCBJRVARN-GJZGRUSLSA-N 0 0 321.402 0.652 10 30 DCEERN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)c(O)c3)CC[C@@H]21 ZINC000408051586 160023789 /nfs/dbraw/zinc/02/37/89/160023789.db2.gz KOLDGMQFSCRZHV-NEPJUHHUSA-N 0 0 300.318 0.502 10 30 DCEERN Cc1nc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1C#N ZINC000408179306 160053592 /nfs/dbraw/zinc/05/35/92/160053592.db2.gz CQPLRRQLRJBAME-LLVKDONJSA-N 0 0 308.363 0.025 10 30 DCEERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)CCC1=O ZINC000136386830 287026223 /nfs/dbraw/zinc/02/62/23/287026223.db2.gz IZBHQKQOSINGSR-JTQLQIEISA-N 0 0 318.308 0.373 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000246093878 287076405 /nfs/dbraw/zinc/07/64/05/287076405.db2.gz KYRRCGCVXHYCLR-ZIAGYGMSSA-N 0 0 319.386 0.990 10 30 DCEERN C=CCNC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000352453914 415181720 /nfs/dbraw/zinc/18/17/20/415181720.db2.gz IODQSDOSFKNMBB-UHFFFAOYSA-N 0 0 319.427 0.254 10 30 DCEERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCC[C@H]1C#N ZINC000061890181 415347481 /nfs/dbraw/zinc/34/74/81/415347481.db2.gz NGJXETRUYDCMFJ-WPRPVWTQSA-N 0 0 312.351 0.557 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000081750885 415488620 /nfs/dbraw/zinc/48/86/20/415488620.db2.gz MTZUHRKSNZZYBF-UHFFFAOYSA-N 0 0 312.329 0.762 10 30 DCEERN C#CCN(CC#C)C(=O)[C@H]1CCC[C@H](C(=O)N(CC#C)CC#C)C1 ZINC000075392783 415447937 /nfs/dbraw/zinc/44/79/37/415447937.db2.gz RZTMGGWSAJXULH-ROUUACIJSA-N 0 0 322.408 0.983 10 30 DCEERN CNC(=O)[C@H]1CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000089829698 415521178 /nfs/dbraw/zinc/52/11/78/415521178.db2.gz AFEWVXHJJWKQMU-CQSZACIVSA-N 0 0 301.346 0.868 10 30 DCEERN C#CCOc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000093531205 415545057 /nfs/dbraw/zinc/54/50/57/415545057.db2.gz PMIXFRZESXEDSU-AWEZNQCLSA-N 0 0 308.403 0.822 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000286584808 415631126 /nfs/dbraw/zinc/63/11/26/415631126.db2.gz WTQKRTRTBXUEEB-UHFFFAOYSA-N 0 0 317.389 0.869 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000286613910 415637838 /nfs/dbraw/zinc/63/78/38/415637838.db2.gz YDYSLHBTXQADKF-NSHDSACASA-N 0 0 314.407 0.433 10 30 DCEERN N#C[C@H]1CN(C(=O)NC2CCN(c3ccccn3)CC2)CCO1 ZINC000106332430 415646014 /nfs/dbraw/zinc/64/60/14/415646014.db2.gz YMBPXWQMOBNAPS-AWEZNQCLSA-N 0 0 315.377 0.984 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000282046452 415578966 /nfs/dbraw/zinc/57/89/66/415578966.db2.gz PCVHYRNQKIWBKI-UHFFFAOYSA-N 0 0 307.375 0.766 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000116998932 415730980 /nfs/dbraw/zinc/73/09/80/415730980.db2.gz PYWMGDWQSQEDHE-CYBMUJFWSA-N 0 0 322.390 0.908 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000292299516 415840416 /nfs/dbraw/zinc/84/04/16/415840416.db2.gz KGBPILORFTYNQA-IHRRRGAJSA-N 0 0 310.394 0.721 10 30 DCEERN CC#CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000354497716 415801128 /nfs/dbraw/zinc/80/11/28/415801128.db2.gz YTVDMZUWUADQHV-UHFFFAOYSA-N 0 0 306.293 0.999 10 30 DCEERN C#Cc1ccc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000296439772 415927906 /nfs/dbraw/zinc/92/79/06/415927906.db2.gz MSAQINYRMYSZLU-KGLIPLIRSA-N 0 0 301.346 0.500 10 30 DCEERN C#CCOc1ccccc1CNC(=O)N[C@H]1CCCNC1=O ZINC000297334539 415962932 /nfs/dbraw/zinc/96/29/32/415962932.db2.gz SCWXVOJYKNXTDF-ZDUSSCGKSA-N 0 0 301.346 0.776 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000337271069 415935431 /nfs/dbraw/zinc/93/54/31/415935431.db2.gz ARKBLKJURFDZOZ-GFCCVEGCSA-N 0 0 319.361 0.661 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CCCC2)C1=O ZINC000299476731 416061629 /nfs/dbraw/zinc/06/16/29/416061629.db2.gz BSRVUMBJUYDUHJ-UHFFFAOYSA-N 0 0 307.350 0.660 10 30 DCEERN C=CCn1c(-c2ccoc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC000337914639 416021787 /nfs/dbraw/zinc/02/17/87/416021787.db2.gz SKRKWMJBKOVVKI-LBPRGKRZSA-N 0 0 317.349 0.675 10 30 DCEERN Cc1csc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)n1 ZINC000301305021 416079091 /nfs/dbraw/zinc/07/90/91/416079091.db2.gz XTLSASAICAEEGI-UHFFFAOYSA-N 0 0 305.363 0.357 10 30 DCEERN N#Cc1cccc(NC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000170701363 416030349 /nfs/dbraw/zinc/03/03/49/416030349.db2.gz ROMGJKBHDZBLAK-AWEZNQCLSA-N 0 0 304.350 0.373 10 30 DCEERN [O-]C(NC[C@@H]1CCCn2ccnc21)=[NH+][C@@H]1CCc2ncnn2C1 ZINC000328618988 416123032 /nfs/dbraw/zinc/12/30/32/416123032.db2.gz VNGNCYNGTKWURP-NWDGAFQWSA-N 0 0 315.381 0.871 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000177351745 416143905 /nfs/dbraw/zinc/14/39/05/416143905.db2.gz SZQUZVLLNUUIEZ-VIFPVBQESA-N 0 0 314.267 0.790 10 30 DCEERN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329189308 416154769 /nfs/dbraw/zinc/15/47/69/416154769.db2.gz PPZHEGGGDNVFOX-OLZOCXBDSA-N 0 0 315.381 0.868 10 30 DCEERN [O-]C(N[C@H]1CC[C@H](CO)CC1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329381861 416166335 /nfs/dbraw/zinc/16/63/35/416166335.db2.gz OEBHKCKDKUDREI-ZDEQEGDKSA-N 0 0 309.370 0.273 10 30 DCEERN C=C(C)COCCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000331033018 416254124 /nfs/dbraw/zinc/25/41/24/416254124.db2.gz IUVAKQXBTBZCJT-NSHDSACASA-N 0 0 305.400 0.117 10 30 DCEERN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193262269 416314828 /nfs/dbraw/zinc/31/48/28/416314828.db2.gz FWNMNWWRUFAOJK-UHFFFAOYSA-N 0 0 300.318 0.525 10 30 DCEERN N#Cc1cccnc1N1CCN(C(=O)NC2CCOCC2)CC1 ZINC000193451573 416317412 /nfs/dbraw/zinc/31/74/12/416317412.db2.gz TWEUGDANQNQXNI-UHFFFAOYSA-N 0 0 315.377 0.964 10 30 DCEERN C=CC[C@H](CO)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000342162954 416288557 /nfs/dbraw/zinc/28/85/57/416288557.db2.gz NDGCPDRFNBAWRL-LBPRGKRZSA-N 0 0 301.346 0.917 10 30 DCEERN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc1 ZINC000265229054 416341342 /nfs/dbraw/zinc/34/13/42/416341342.db2.gz YGZNPEBYCSOVGB-LLVKDONJSA-N 0 0 319.361 0.428 10 30 DCEERN CC(C)n1nnnc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000195103322 416325173 /nfs/dbraw/zinc/32/51/73/416325173.db2.gz VHCWGSXAPWXXJK-UHFFFAOYSA-N 0 0 312.381 0.843 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N1CCC[C@H](COC)CC1 ZINC000422392962 416429077 /nfs/dbraw/zinc/42/90/77/416429077.db2.gz CAKMSJZLLZVRDN-AWEZNQCLSA-N 0 0 312.410 0.970 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(CC(=O)OCC)n1 ZINC000594171992 416551885 /nfs/dbraw/zinc/55/18/85/416551885.db2.gz FGHHOYYCBVAMOO-RYUDHWBXSA-N 0 0 322.365 1.159 10 30 DCEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCN2CCOC[C@H]2C1 ZINC000363856786 416577783 /nfs/dbraw/zinc/57/77/83/416577783.db2.gz BWJYAEJSCDOEQE-CQSZACIVSA-N 0 0 314.341 0.310 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2nc(N)ncc2C1 ZINC000613882948 416682932 /nfs/dbraw/zinc/68/29/32/416682932.db2.gz VFPBPKMVSZMVHN-CYBMUJFWSA-N 0 0 303.366 0.414 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000613161147 416674911 /nfs/dbraw/zinc/67/49/11/416674911.db2.gz VDAPRNZMSQMSFR-GOEBONIOSA-N 0 0 320.389 0.883 10 30 DCEERN C=C[C@@H](O)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000614893282 416721016 /nfs/dbraw/zinc/72/10/16/416721016.db2.gz VBGOFGRATLJCSG-WCQYABFASA-N 0 0 310.375 0.113 10 30 DCEERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000442975468 416723001 /nfs/dbraw/zinc/72/30/01/416723001.db2.gz UMLCOUDGYDORIJ-BBCYWQGDSA-N 0 0 307.394 0.708 10 30 DCEERN N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000615627845 416873534 /nfs/dbraw/zinc/87/35/34/416873534.db2.gz HORVAETXYFNVGD-CQSZACIVSA-N 0 0 301.281 0.737 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000564209568 416890250 /nfs/dbraw/zinc/89/02/50/416890250.db2.gz WVEKWCUCFHUSQV-IHRRRGAJSA-N 0 0 322.405 0.864 10 30 DCEERN C=CCCC[C@H](C)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000623856395 416907993 /nfs/dbraw/zinc/90/79/93/416907993.db2.gz UMIYHONFEGRXJG-NSHDSACASA-N 0 0 318.443 0.521 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000615863309 416928213 /nfs/dbraw/zinc/92/82/13/416928213.db2.gz HVZSEULUDGLYPU-VNHYZAJKSA-N 0 0 311.426 0.371 10 30 DCEERN C=CCC[C@H](CO)NC(=O)c1ccc(=O)n(CCCOC)n1 ZINC000616099141 416965447 /nfs/dbraw/zinc/96/54/47/416965447.db2.gz FDAFJMVHPDIZBC-GFCCVEGCSA-N 0 0 309.366 0.337 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000616350073 417023294 /nfs/dbraw/zinc/02/32/94/417023294.db2.gz AKVMMMGMMZSVAI-RYUDHWBXSA-N 0 0 303.353 0.913 10 30 DCEERN C=CCn1cc(CNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000624242135 416988645 /nfs/dbraw/zinc/98/86/45/416988645.db2.gz CUKPFYUGHGSIJG-CYBMUJFWSA-N 0 0 318.381 0.417 10 30 DCEERN CNS(=O)(=O)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000565676438 417007179 /nfs/dbraw/zinc/00/71/79/417007179.db2.gz ZYVUGTDFEAEOGT-UHFFFAOYSA-N 0 0 321.402 0.641 10 30 DCEERN CC(C)N1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000377689966 417063227 /nfs/dbraw/zinc/06/32/27/417063227.db2.gz ZOYMDCHWUAJTKH-UONOGXRCSA-N 0 0 319.409 0.377 10 30 DCEERN C=CCNC(=O)c1ccc(N2CCO[C@@H](CC(N)=O)C2)nc1 ZINC000624699742 417088428 /nfs/dbraw/zinc/08/84/28/417088428.db2.gz RXBWKRJJHCQFRT-LBPRGKRZSA-N 0 0 304.350 0.078 10 30 DCEERN C=CCn1c(C(C)C)nnc1N1CCO[C@H](CNC(=O)NC)C1 ZINC000624826754 417122601 /nfs/dbraw/zinc/12/26/01/417122601.db2.gz UBPGHCHDEYWKOV-GFCCVEGCSA-N 0 0 322.413 0.722 10 30 DCEERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000408400525 417158842 /nfs/dbraw/zinc/15/88/42/417158842.db2.gz UAFLJRHEKZOTQC-JTQLQIEISA-N 0 0 306.366 0.858 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000451911660 417414488 /nfs/dbraw/zinc/41/44/88/417414488.db2.gz QBNCYVMMQYVBNL-OLZOCXBDSA-N 0 0 310.375 0.797 10 30 DCEERN C=C(C)CS(=O)(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451617478 417365683 /nfs/dbraw/zinc/36/56/83/417365683.db2.gz BGZWJROFDSODHN-LLVKDONJSA-N 0 0 303.380 0.404 10 30 DCEERN C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000529742451 417496160 /nfs/dbraw/zinc/49/61/60/417496160.db2.gz YKCKOWUROBJUTB-WFASDCNBSA-N 0 0 313.398 0.372 10 30 DCEERN C=CCC1(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CCOCC1 ZINC000633882175 417508938 /nfs/dbraw/zinc/50/89/38/417508938.db2.gz HPLFEGUBLMAJNO-IYBDPMFKSA-N 0 0 320.389 0.871 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(N2CCOCC2)n1 ZINC000627830926 417511366 /nfs/dbraw/zinc/51/13/66/417511366.db2.gz TXPHHXMFWPCNDT-JSGCOSHPSA-N 0 0 318.377 0.634 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nccc(OCCOC)n1 ZINC000622882971 417513939 /nfs/dbraw/zinc/51/39/39/417513939.db2.gz IBBSHQWAMIKKPV-GFCCVEGCSA-N 0 0 322.365 0.911 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000455418403 417603812 /nfs/dbraw/zinc/60/38/12/417603812.db2.gz UENXCEWUQKXKFA-FVCCEPFGSA-N 0 0 300.399 0.787 10 30 DCEERN CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635204847 417608675 /nfs/dbraw/zinc/60/86/75/417608675.db2.gz YGZZBOZATXJBCZ-NSHDSACASA-N 0 0 304.350 0.048 10 30 DCEERN CC#CC[C@H](CO)NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635203698 417609161 /nfs/dbraw/zinc/60/91/61/417609161.db2.gz MRJPKZHFTLVDCQ-SECBINFHSA-N 0 0 322.292 0.383 10 30 DCEERN C=CCN(C(=O)c1cn(C[C@H]2CCOC2)nn1)[C@H](C)COC ZINC000628054890 417564116 /nfs/dbraw/zinc/56/41/16/417564116.db2.gz JHEMOQHCAHZYPV-CHWSQXEVSA-N 0 0 308.382 0.978 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000628491816 417625159 /nfs/dbraw/zinc/62/51/59/417625159.db2.gz IHDXYVIEYRSFOJ-LLVKDONJSA-N 0 0 318.381 0.329 10 30 DCEERN CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC ZINC000457033568 417680660 /nfs/dbraw/zinc/68/06/60/417680660.db2.gz AYBSSTCUQMOVKB-BONVTDFDSA-N 0 0 311.382 0.889 10 30 DCEERN C=C(C)[C@@H](CC(=O)N1CCC(NS(N)(=O)=O)CC1)OCC ZINC000629184985 417756105 /nfs/dbraw/zinc/75/61/05/417756105.db2.gz CVISTEBLWUQPFY-GFCCVEGCSA-N 0 0 319.427 0.142 10 30 DCEERN C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000631356501 417861450 /nfs/dbraw/zinc/86/14/50/417861450.db2.gz WGLRGDRIAUOJMP-CQSZACIVSA-N 0 0 321.421 0.392 10 30 DCEERN C[C@H](C(=O)N1CCCC1)N1CCN(c2nccc(C#N)n2)CC1 ZINC000297366770 227071983 /nfs/dbraw/zinc/07/19/83/227071983.db2.gz CNJWRHRGPKPZHC-CYBMUJFWSA-N 0 0 314.393 0.481 10 30 DCEERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000230337813 261153575 /nfs/dbraw/zinc/15/35/75/261153575.db2.gz LHRBFRUYEARWMO-DTWKUNHWSA-N 0 0 313.404 0.894 10 30 DCEERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C#N)n1C ZINC000448863446 267050562 /nfs/dbraw/zinc/05/05/62/267050562.db2.gz BPJOMIRJWJAQKH-LBPRGKRZSA-N 0 0 306.391 0.890 10 30 DCEERN CCOC(=O)[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H]1CCCOC1 ZINC000450775165 267132517 /nfs/dbraw/zinc/13/25/17/267132517.db2.gz PFZXNIJRHZMTQG-FZMZJTMJSA-N 0 0 319.361 0.985 10 30 DCEERN N#Cc1ccc(N2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)nc1 ZINC000330003066 268115540 /nfs/dbraw/zinc/11/55/40/268115540.db2.gz ZJRZNUNAEVGNDO-NHAGDIPZSA-N 0 0 313.361 0.634 10 30 DCEERN N#Cc1cccc(CC(=O)NCCC(=O)N2CCOCC2)c1 ZINC000531147865 268274278 /nfs/dbraw/zinc/27/42/78/268274278.db2.gz FNGNDNJWGIFPGW-UHFFFAOYSA-N 0 0 301.346 0.466 10 30 DCEERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1C#N ZINC000174952832 278924652 /nfs/dbraw/zinc/92/46/52/278924652.db2.gz ALINVKRSCHVHFG-LLVKDONJSA-N 0 0 314.345 0.542 10 30 DCEERN CN(C)S(=O)(=O)CCNC(=O)NCC1CCC(C#N)CC1 ZINC000358145748 289246003 /nfs/dbraw/zinc/24/60/03/289246003.db2.gz SYYNNDPWHQEVJY-UHFFFAOYSA-N 0 0 316.427 0.507 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408215747 289574957 /nfs/dbraw/zinc/57/49/57/289574957.db2.gz 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303146448 /nfs/dbraw/zinc/14/64/48/303146448.db2.gz ABOJOGJWGIHGDL-LBPRGKRZSA-N 0 0 320.374 0.669 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@H]2CC)CC1 ZINC000556779782 331731306 /nfs/dbraw/zinc/73/13/06/331731306.db2.gz RGKNUXQYNIKAMP-KGLIPLIRSA-N 0 0 324.425 0.183 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCN(Cc2nccn2C)CC1 ZINC000105931220 332963654 /nfs/dbraw/zinc/96/36/54/332963654.db2.gz SSTJBBDRCYFVOY-UHFFFAOYSA-N 0 0 317.437 0.738 10 30 DCEERN CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cn1 ZINC000184844712 333201878 /nfs/dbraw/zinc/20/18/78/333201878.db2.gz IAHVOUBHWKYYQS-UHFFFAOYSA-N 0 0 322.390 0.898 10 30 DCEERN C#Cc1ccc(CNS(=O)(=O)CCCN2CCOCC2)cc1 ZINC000296219585 335140755 /nfs/dbraw/zinc/14/07/55/335140755.db2.gz NUXZBTXSCVUDBY-UHFFFAOYSA-N 0 0 322.430 0.810 10 30 DCEERN C=CCn1cc(CNC(=O)C2(N3CCOCC3)CCC2)nn1 ZINC000583495094 334628381 /nfs/dbraw/zinc/62/83/81/334628381.db2.gz PXOYACDUUQXCGE-UHFFFAOYSA-N 0 0 305.382 0.335 10 30 DCEERN C=CCCn1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)nn1 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COCCN1CCN(C(=O)c2cccc(C#CCO)c2)C[C@H]1C ZINC000900743786 663277620 /nfs/dbraw/zinc/27/76/20/663277620.db2.gz GYMWYQUIMJWEJB-OAHLLOKOSA-N 0 0 316.401 0.823 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCN2CCC3(C2)OCCO3)c1 ZINC000156897535 664394326 /nfs/dbraw/zinc/39/43/26/664394326.db2.gz VUKAVNDKKJUKER-UHFFFAOYSA-N 0 0 322.386 0.781 10 30 DCEERN C#CCCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000173333139 664628407 /nfs/dbraw/zinc/62/84/07/664628407.db2.gz APEOWLHQJAIEOA-UHFFFAOYSA-N 0 0 313.365 0.369 10 30 DCEERN C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CSCN1C(=O)CC ZINC000730317106 664686014 /nfs/dbraw/zinc/68/60/14/664686014.db2.gz LLKHKDNRSARFMT-ZJUUUORDSA-N 0 0 300.380 0.532 10 30 DCEERN C=CCN(CC(=O)OCC)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000152338648 664745787 /nfs/dbraw/zinc/74/57/87/664745787.db2.gz DFXJXLOHUYACNY-LLVKDONJSA-N 0 0 308.334 0.976 10 30 DCEERN COC(=O)CCCNC(=S)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732625888 664949167 /nfs/dbraw/zinc/94/91/67/664949167.db2.gz PTLQALZLBLRQHO-GFCCVEGCSA-N 0 0 310.423 0.486 10 30 DCEERN COC(=O)c1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000732664490 664950507 /nfs/dbraw/zinc/95/05/07/664950507.db2.gz KEXDWWPTALABMB-GFCCVEGCSA-N 0 0 314.345 0.681 10 30 DCEERN Cc1noc(CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000732673927 664951696 /nfs/dbraw/zinc/95/16/96/664951696.db2.gz CCTKHODCKGXJHA-CYBMUJFWSA-N 0 0 318.381 0.692 10 30 DCEERN C#CCCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000733287703 666474383 /nfs/dbraw/zinc/47/43/83/666474383.db2.gz NLHDFJWACNEGTH-UHFFFAOYSA-N 0 0 314.338 0.164 10 30 DCEERN C#CCCNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000733336465 666496816 /nfs/dbraw/zinc/49/68/16/666496816.db2.gz RBEOAAPQWGVXML-UHFFFAOYSA-N 0 0 300.318 0.883 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000733672980 666795487 /nfs/dbraw/zinc/79/54/87/666795487.db2.gz JFQNZWMDMRAGBD-UHFFFAOYSA-N 0 0 324.340 0.421 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2nccnc2C#N)C1 ZINC000702852565 667010498 /nfs/dbraw/zinc/01/04/98/667010498.db2.gz 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/nfs/dbraw/zinc/16/09/15/668160915.db2.gz VLORCIOEKKRADS-AWEZNQCLSA-N 0 0 307.419 0.770 10 30 DCEERN C#CCN1CCN(C(=O)[C@@H](CCCC)NC(=O)NCC)CC1 ZINC000132928578 669756399 /nfs/dbraw/zinc/75/63/99/669756399.db2.gz LUWMCCGIUSUROI-CQSZACIVSA-N 0 0 308.426 0.642 10 30 DCEERN C#CC[C@H](COC)NC(=O)c1c(Br)nnn1C ZINC000716813642 670273453 /nfs/dbraw/zinc/27/34/53/670273453.db2.gz YOJBKUCZVWVYPB-SSDOTTSWSA-N 0 0 301.144 0.346 10 30 DCEERN CCC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000112494954 670607762 /nfs/dbraw/zinc/60/77/62/670607762.db2.gz NODULEBQCKOFTB-VXGBXAGGSA-N 0 0 314.407 0.779 10 30 DCEERN COC[C@](C)(O)CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000718580007 685305105 /nfs/dbraw/zinc/30/51/05/685305105.db2.gz WMGATDWDGVNPAU-GFCCVEGCSA-N 0 0 302.327 0.373 10 30 DCEERN CO[C@@]1(CNc2snc(C)c2C#N)CCS(=O)(=O)C1 ZINC000720880363 685316397 /nfs/dbraw/zinc/31/63/97/685316397.db2.gz PJIFPEQXSROKAH-LLVKDONJSA-N 0 0 301.393 0.939 10 30 DCEERN C[S@@](=O)CCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719973083 685311771 /nfs/dbraw/zinc/31/17/71/685311771.db2.gz DNLQHMXCAXIVKE-GOSISDBHSA-N 0 0 304.368 0.744 10 30 DCEERN CC(C)(C#N)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000170631190 1183678817 /nfs/dbraw/zinc/67/88/17/1183678817.db2.gz ZRTCFJVVYPFIIE-INIZCTEOSA-N 0 0 314.345 0.907 10 30 DCEERN C=C(C)C[NH+]1CCC(NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000287239793 1188184999 /nfs/dbraw/zinc/18/49/99/1188184999.db2.gz AYATZRDZCWBHMA-UHFFFAOYSA-N 0 0 311.411 0.347 10 30 DCEERN N#CCC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000404258254 1190191039 /nfs/dbraw/zinc/19/10/39/1190191039.db2.gz NAXPZHQDWXFSIQ-UHFFFAOYSA-N 0 0 306.409 0.177 10 30 DCEERN C=CCS(=O)(=O)CCNC(=O)c1cnn2ccc(C)nc12 ZINC000272832635 210231845 /nfs/dbraw/zinc/23/18/45/210231845.db2.gz IGQMCRVCGWIIQY-UHFFFAOYSA-N 0 0 308.363 0.368 10 30 DCEERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)C(C)C ZINC000179080004 529895795 /nfs/dbraw/zinc/89/57/95/529895795.db2.gz WBVHYZGLTNYXDA-ZDUSSCGKSA-N 0 0 316.361 0.692 10 30 DCEERN CNC(=O)[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000183563197 529909232 /nfs/dbraw/zinc/90/92/32/529909232.db2.gz SKILHIKDVAVBCG-AWEZNQCLSA-N 0 0 313.357 0.829 10 30 DCEERN C#CCOc1ccc(F)cc1NCc1cn(C)c(=O)n(C)c1=O ZINC000174535016 198349110 /nfs/dbraw/zinc/34/91/10/198349110.db2.gz PGLWKOOVCDLUHF-UHFFFAOYSA-N 0 0 317.320 0.847 10 30 DCEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329556155 291002813 /nfs/dbraw/zinc/00/28/13/291002813.db2.gz BRTSETBTBXVQCV-XKAARJIMSA-N 0 0 316.423 0.833 10 30 DCEERN N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)CC2)c(F)c1 ZINC000125078769 283097961 /nfs/dbraw/zinc/09/79/61/283097961.db2.gz ROPNWACMWMETMK-UHFFFAOYSA-N 0 0 315.301 0.347 10 30 DCEERN CCN1CCO[C@H](C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000081458443 192269777 /nfs/dbraw/zinc/26/97/77/192269777.db2.gz LVBSCDWBMQHNPK-HNNXBMFYSA-N 0 0 303.362 0.774 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@@H]2C(N)=O)c1 ZINC000156644930 237049908 /nfs/dbraw/zinc/04/99/08/237049908.db2.gz 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/nfs/dbraw/zinc/26/37/09/239263709.db2.gz TWURNCVFECFVHN-LLVKDONJSA-N 0 0 300.322 0.035 10 30 DCEERN Cc1nc(C)n(C[C@@H]2CN(C(=O)C3(C#N)CCC3)CCO2)n1 ZINC000408244515 239264131 /nfs/dbraw/zinc/26/41/31/239264131.db2.gz CEHFFQCYKXNPND-ZDUSSCGKSA-N 0 0 303.366 0.816 10 30 DCEERN COC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC(C)(C)O1 ZINC000408029069 239259505 /nfs/dbraw/zinc/25/95/05/239259505.db2.gz WJFJBSQSCXUUPL-LLVKDONJSA-N 0 0 305.400 0.202 10 30 DCEERN N#C[C@H]1CN(C(=O)NC[C@@H]2COc3ccccc3O2)CCO1 ZINC000408095219 239260671 /nfs/dbraw/zinc/26/06/71/239260671.db2.gz MBKRBBJSPNQCHF-NWDGAFQWSA-N 0 0 303.318 0.760 10 30 DCEERN C=CCCOCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000454717167 240804194 /nfs/dbraw/zinc/80/41/94/240804194.db2.gz NVJGLTGZJSDDLN-STQMWFEESA-N 0 0 316.423 0.940 10 30 DCEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(CCO)[C@H](C)C1 ZINC000187691660 284294298 /nfs/dbraw/zinc/29/42/98/284294298.db2.gz OSUULDMHWODPLQ-CJNGLKHVSA-N 0 0 317.389 0.771 10 30 DCEERN CC(=O)C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccccc1 ZINC000020314877 182205806 /nfs/dbraw/zinc/20/58/06/182205806.db2.gz FTNIOXRIRVRZSU-CQSZACIVSA-N 0 0 305.330 0.980 10 30 DCEERN Oc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1O ZINC000021540031 182279771 /nfs/dbraw/zinc/27/97/71/182279771.db2.gz SQXVEGIYCLPMSR-MHWRWJLKSA-N 0 0 324.406 0.228 10 30 DCEERN N#CCN(CC#N)c1ncnc(-n2nnc3ccccc32)c1N ZINC000040736964 183127152 /nfs/dbraw/zinc/12/71/52/183127152.db2.gz HHJIBTBPPKQYAL-UHFFFAOYSA-N 0 0 305.305 0.646 10 30 DCEERN COCCS(=O)(=O)[N-]c1sc2c(c1C#N)CC[NH2+]C2 ZINC000042810207 183311562 /nfs/dbraw/zinc/31/15/62/183311562.db2.gz VWLIDSNJJWBGGY-UHFFFAOYSA-N 0 0 301.393 0.654 10 30 DCEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)CCCC#N ZINC000248856412 533089481 /nfs/dbraw/zinc/08/94/81/533089481.db2.gz RFWQCOJIGJOWJO-SRVKXCTJSA-N 0 0 300.380 0.893 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000377824337 533396508 /nfs/dbraw/zinc/39/65/08/533396508.db2.gz RCQXDJRRHYHLBH-STQMWFEESA-N 0 0 300.428 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C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000627686864 417487063 /nfs/dbraw/zinc/48/70/63/417487063.db2.gz HFGZJGHUNXNCEZ-UHFFFAOYSA-N 0 0 304.350 0.838 10 30 DCEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000627732864 417494024 /nfs/dbraw/zinc/49/40/24/417494024.db2.gz FPLJZRMTDNVUHM-LBPRGKRZSA-N 0 0 319.361 0.816 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000572631969 417460684 /nfs/dbraw/zinc/46/06/84/417460684.db2.gz NQQUPVYAUGHFAP-HEHGZKQESA-N 0 0 306.362 0.307 10 30 DCEERN C=C(C)[C@H](CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)OCC ZINC000633874808 417502991 /nfs/dbraw/zinc/50/29/91/417502991.db2.gz IIDISZICDCCFIY-IUIKQTSFSA-N 0 0 308.378 0.869 10 30 DCEERN C=CCC[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000456755639 417664018 /nfs/dbraw/zinc/66/40/18/417664018.db2.gz KRRPCYCPCHWRKA-NSHDSACASA-N 0 0 317.345 0.545 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000563868364 335077497 /nfs/dbraw/zinc/07/74/97/335077497.db2.gz 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/nfs/dbraw/zinc/51/77/74/297517774.db2.gz PBABJVWVZKEEFB-LBPRGKRZSA-N 0 0 301.412 0.968 10 30 DCEERN N#CCC1(CS(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000333145712 303148913 /nfs/dbraw/zinc/14/89/13/303148913.db2.gz ZRXZTIACVWOHIH-CYBMUJFWSA-N 0 0 313.423 0.463 10 30 DCEERN N#Cc1ccc(C(F)(F)F)nc1N1CCOC[C@@H]1C(N)=O ZINC000158942111 303189797 /nfs/dbraw/zinc/18/97/97/303189797.db2.gz LRHMCJUWMMVIPQ-MRVPVSSYSA-N 0 0 300.240 0.663 10 30 DCEERN C=CCNC(=O)NC(=O)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000518306433 332010272 /nfs/dbraw/zinc/01/02/72/332010272.db2.gz ZZKMCWWXZXCVED-AWEZNQCLSA-N 0 0 308.338 0.109 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000569444981 332087891 /nfs/dbraw/zinc/08/78/91/332087891.db2.gz BMZJIMQGSWEOGU-SNVBAGLBSA-N 0 0 319.317 0.123 10 30 DCEERN C=C(C)COCCNC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000159480140 332140328 /nfs/dbraw/zinc/14/03/28/332140328.db2.gz GSVOEYACIOHXOM-UHFFFAOYSA-N 0 0 312.391 0.965 10 30 DCEERN Cc1cc(N2CCN(C[C@H](C#N)CCC#N)CC2)n2ncnc2n1 ZINC000105901920 332963283 /nfs/dbraw/zinc/96/32/83/332963283.db2.gz GOOWVKZANKLNJT-AWEZNQCLSA-N 0 0 324.392 0.998 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000518780802 333183301 /nfs/dbraw/zinc/18/33/01/333183301.db2.gz YJONFBBBODWDRH-NSHDSACASA-N 0 0 302.334 0.431 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000185755467 335150659 /nfs/dbraw/zinc/15/06/59/335150659.db2.gz ZTBIPTLSWDBBHJ-CYBMUJFWSA-N 0 0 324.402 0.893 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)OC)C2)C1=O ZINC000412315231 333749575 /nfs/dbraw/zinc/74/95/75/333749575.db2.gz KXPXYODFPUDUEB-XQQFMLRXSA-N 0 0 308.378 0.821 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000330989976 334828803 /nfs/dbraw/zinc/82/88/03/334828803.db2.gz SICLKWCZVGLTMP-RYUDHWBXSA-N 0 0 303.428 0.620 10 30 DCEERN O=C(NCCn1ncnn1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329919970 336095476 /nfs/dbraw/zinc/09/54/76/336095476.db2.gz GRRLAXJXRCGVKI-LLVKDONJSA-N 0 0 324.410 0.721 10 30 DCEERN O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCO[C@@H](C2CC2)C1 ZINC000330173396 336120877 /nfs/dbraw/zinc/12/08/77/336120877.db2.gz HIODYVPLYGAZQU-NWDGAFQWSA-N 0 0 302.396 0.588 10 30 DCEERN C=CCCN(C)C(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000423650572 337726255 /nfs/dbraw/zinc/72/62/55/337726255.db2.gz UQWCFANKCZJPEL-CQSZACIVSA-N 0 0 302.378 0.589 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC000425909136 338018707 /nfs/dbraw/zinc/01/87/07/338018707.db2.gz MISJYUIPSYNLLV-KBPBESRZSA-N 0 0 322.405 0.723 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC(C)(C)O2)C1=O ZINC000426290341 338024728 /nfs/dbraw/zinc/02/47/28/338024728.db2.gz ITWVTBILLMVLCJ-SNVBAGLBSA-N 0 0 323.349 0.037 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCC2(C)CCC2)CC1 ZINC000429361308 338078610 /nfs/dbraw/zinc/07/86/10/338078610.db2.gz JGQJTWKCKFAEBA-UHFFFAOYSA-N 0 0 308.426 0.806 10 30 DCEERN C=CCN(C(=O)[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000435818114 338250278 /nfs/dbraw/zinc/25/02/78/338250278.db2.gz NJTUDDBSIPSEMT-YNEHKIRRSA-N 0 0 301.408 0.861 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2nccc(N(C)C)n2)C1=O ZINC000439375550 338368152 /nfs/dbraw/zinc/36/81/52/338368152.db2.gz DQYMCSONVFMBHW-LLVKDONJSA-N 0 0 318.381 0.793 10 30 DCEERN C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCO[C@H](C)C2)c1=O ZINC000447291119 338548305 /nfs/dbraw/zinc/54/83/05/338548305.db2.gz CDLKKXNDLSFEAX-OLZOCXBDSA-N 0 0 321.377 0.359 10 30 DCEERN C=C(C)CN(Cc1ccccc1)C(=O)CNS(=O)(=O)NC ZINC000451530760 338737976 /nfs/dbraw/zinc/73/79/76/338737976.db2.gz ISXSWJRRXWIOEK-UHFFFAOYSA-N 0 0 311.407 0.645 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000452944225 338784573 /nfs/dbraw/zinc/78/45/73/338784573.db2.gz ICMMADRVOVSIQO-NEPJUHHUSA-N 0 0 310.375 0.716 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCC[C@H](C)F)CC1 ZINC000458868267 339007464 /nfs/dbraw/zinc/00/74/64/339007464.db2.gz CFSXDMWYRSSNIU-LBPRGKRZSA-N 0 0 300.378 0.364 10 30 DCEERN CC1CC(C#N)(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000124155991 340797457 /nfs/dbraw/zinc/79/74/57/340797457.db2.gz LBXAIOFHBMVPFD-UHFFFAOYSA-N 0 0 307.375 0.890 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000546697280 341179318 /nfs/dbraw/zinc/17/93/18/341179318.db2.gz DUBIRDFRMJHCCM-JTQLQIEISA-N 0 0 308.338 0.719 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccnn1COC ZINC000566136989 341548640 /nfs/dbraw/zinc/54/86/40/341548640.db2.gz UBOQLJCNMDGOAZ-QWRGUYRKSA-N 0 0 301.368 0.356 10 30 DCEERN Cc1c(C(=O)N2CCO[C@@H](C#N)C2)cccc1N1CCNC1=O ZINC000173581770 533757509 /nfs/dbraw/zinc/75/75/09/533757509.db2.gz DMHUHAPAAKBEEJ-LBPRGKRZSA-N 0 0 314.345 0.889 10 30 DCEERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000362722104 533813492 /nfs/dbraw/zinc/81/34/92/533813492.db2.gz CZIDSBHGRFYKQX-JSGCOSHPSA-N 0 0 319.409 0.379 10 30 DCEERN COC(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000371622541 533987213 /nfs/dbraw/zinc/98/72/13/533987213.db2.gz RDSFUSFWPPSMSH-CYBMUJFWSA-N 0 0 314.345 0.681 10 30 DCEERN Cn1nnc2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 ZINC000370995201 534340489 /nfs/dbraw/zinc/34/04/89/534340489.db2.gz YOWNMROKQAJODZ-CYBMUJFWSA-N 0 0 310.361 0.781 10 30 DCEERN Cc1nc(C[C@H]2CCCN(C(=O)NCc3cnnn3C)C2)no1 ZINC000329326205 534412453 /nfs/dbraw/zinc/41/24/53/534412453.db2.gz WMJJYKRNHZQKEU-LLVKDONJSA-N 0 0 319.369 0.875 10 30 DCEERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000376216838 534617746 /nfs/dbraw/zinc/61/77/46/534617746.db2.gz UYEMMNWOOKBJOX-LBPRGKRZSA-N 0 0 318.337 0.299 10 30 DCEERN C=CCN(C[C@@H](O)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000178858499 526331427 /nfs/dbraw/zinc/33/14/27/526331427.db2.gz GQDLLIYACMUEMQ-CHWSQXEVSA-N 0 0 305.440 0.838 10 30 DCEERN CC#CCN(C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000293587506 526344736 /nfs/dbraw/zinc/34/47/36/526344736.db2.gz WYTHNMOUNDGFTJ-UHFFFAOYSA-N 0 0 322.386 0.819 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000408216839 526502607 /nfs/dbraw/zinc/50/26/07/526502607.db2.gz XBLPZLIECRNCCG-OLZOCXBDSA-N 0 0 315.439 0.682 10 30 DCEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000297948636 526509472 /nfs/dbraw/zinc/50/94/72/526509472.db2.gz ULVYMDAGUWCTAI-INIZCTEOSA-N 0 0 310.394 0.819 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCCOCC2CC2)CC1 ZINC000359291006 526532460 /nfs/dbraw/zinc/53/24/60/526532460.db2.gz QFRRVIAVCXPVAJ-UHFFFAOYSA-N 0 0 324.425 0.042 10 30 DCEERN CC(C)(C)OC[C@H](O)CN(CCC#N)CCN1CCOCC1 ZINC000177027985 526556758 /nfs/dbraw/zinc/55/67/58/526556758.db2.gz PPFPUOAZRGCDTN-OAHLLOKOSA-N 0 0 313.442 0.710 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185270280 526593811 /nfs/dbraw/zinc/59/38/11/526593811.db2.gz QANUQZBKFDJQNB-NRFANRHFSA-N 0 0 315.439 0.621 10 30 DCEERN C#CCCCNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000173321300 526709610 /nfs/dbraw/zinc/70/96/10/526709610.db2.gz OKIWZGMMFRLLTP-CQSZACIVSA-N 0 0 307.394 0.680 10 30 DCEERN C#CCCCNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000173321284 526711801 /nfs/dbraw/zinc/71/18/01/526711801.db2.gz OKIWZGMMFRLLTP-AWEZNQCLSA-N 0 0 307.394 0.680 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000157738620 526749756 /nfs/dbraw/zinc/74/97/56/526749756.db2.gz XYAJXJGBCZVFMV-AWEZNQCLSA-N 0 0 321.402 0.700 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000157738471 526750370 /nfs/dbraw/zinc/75/03/70/526750370.db2.gz XYAJXJGBCZVFMV-CQSZACIVSA-N 0 0 321.402 0.700 10 30 DCEERN C=CCOCCNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000364525419 526774138 /nfs/dbraw/zinc/77/41/38/526774138.db2.gz HUKDKNROVNXROA-OAHLLOKOSA-N 0 0 324.381 0.209 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000186659376 527102920 /nfs/dbraw/zinc/10/29/20/527102920.db2.gz YCAJJTSFFBJJMX-ZDUSSCGKSA-N 0 0 324.402 0.811 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000185946057 527207740 /nfs/dbraw/zinc/20/77/40/527207740.db2.gz XHMPOCKMQVNHKT-UONOGXRCSA-N 0 0 316.357 0.559 10 30 DCEERN C=CCCN(C)C(=O)C(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000410841722 527300203 /nfs/dbraw/zinc/30/02/03/527300203.db2.gz KOJYKXXJQPOINK-BBRMVZONSA-N 0 0 310.394 0.817 10 30 DCEERN C=CCCO[C@H](C)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000362673241 527391938 /nfs/dbraw/zinc/39/19/38/527391938.db2.gz TVBQWIZJXVTLKL-CYBMUJFWSA-N 0 0 320.393 0.410 10 30 DCEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337728100 527401048 /nfs/dbraw/zinc/40/10/48/527401048.db2.gz MSKIUWWWEMLTJB-FRRDWIJNSA-N 0 0 318.439 0.802 10 30 DCEERN C=CCCS(=O)(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000131188483 527413925 /nfs/dbraw/zinc/41/39/25/527413925.db2.gz KUGZPUQDJRDGSL-GFCCVEGCSA-N 0 0 314.382 0.965 10 30 DCEERN C=CCN(C(=O)CCCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000338402146 527534003 /nfs/dbraw/zinc/53/40/03/527534003.db2.gz PUZQLTODJBPEOR-GFCCVEGCSA-N 0 0 317.407 0.922 10 30 DCEERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 ZINC000407952171 528407241 /nfs/dbraw/zinc/40/72/41/528407241.db2.gz FRRLPQZJPFWJSJ-NWDGAFQWSA-N 0 0 316.427 0.313 10 30 DCEERN CC(C)N1CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O ZINC000377689963 529080082 /nfs/dbraw/zinc/08/00/82/529080082.db2.gz ZOYMDCHWUAJTKH-KGLIPLIRSA-N 0 0 319.409 0.377 10 30 DCEERN C=CCCO[C@@H](C)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000074444337 545669786 /nfs/dbraw/zinc/66/97/86/545669786.db2.gz UEESBLWHNDQLDY-LBPRGKRZSA-N 0 0 304.412 0.462 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ncnc3c2CCCC3)CC1 ZINC000151730881 545820848 /nfs/dbraw/zinc/82/08/48/545820848.db2.gz IMXVOMSYOLIYDL-UHFFFAOYSA-N 0 0 315.421 0.780 10 30 DCEERN Cc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@H](C)Cn1cncn1)CC2 ZINC000328851727 546040184 /nfs/dbraw/zinc/04/01/84/546040184.db2.gz ZVFMYNIYGNPQEV-MWLCHTKSSA-N 0 0 304.358 0.085 10 30 DCEERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCn2ccnc2C1 ZINC000329322339 546046742 /nfs/dbraw/zinc/04/67/42/546046742.db2.gz JMLNQSFTVXWMKG-NSHDSACASA-N 0 0 305.382 0.665 10 30 DCEERN C=CCN1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000329658747 546053186 /nfs/dbraw/zinc/05/31/86/546053186.db2.gz NMFVFYOGEABRPO-WCQYABFASA-N 0 0 315.439 0.574 10 30 DCEERN Cn1c(=O)[nH]cc(C(=O)C=Cc2cnc3ccc(C#N)cn23)c1=O ZINC000255288478 658513515 /nfs/dbraw/zinc/51/35/15/658513515.db2.gz BXDSQLAAUHXRFO-ARJAWSKDSA-N 0 0 321.296 0.901 10 30 DCEERN Cc1nn(C2CCS(=O)(=O)CC2)cc1COS(C)(=O)=O ZINC000757196050 658659386 /nfs/dbraw/zinc/65/93/86/658659386.db2.gz OBDDSJWJRKXBPU-UHFFFAOYSA-N 0 0 322.408 0.417 10 30 DCEERN N#Cc1c(F)cccc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000167158314 658694003 /nfs/dbraw/zinc/69/40/03/658694003.db2.gz PJTSAKPIVSBFQP-SECBINFHSA-N 0 0 300.311 0.079 10 30 DCEERN COc1cccc(OC)c1C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000169819947 658718309 /nfs/dbraw/zinc/71/83/09/658718309.db2.gz CQWSMPCEQPQFFN-UHFFFAOYSA-N 0 0 317.345 0.902 10 30 DCEERN C#CCNC(=O)[C@H](C)OC(=O)c1ccc(CNC(C)=O)s1 ZINC000743145000 658725279 /nfs/dbraw/zinc/72/52/79/658725279.db2.gz UADJVMUYWYSWOA-VIFPVBQESA-N 0 0 308.359 0.679 10 30 DCEERN Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]Cc3cnnn3C)CCO2)c1 ZINC000329312969 659159544 /nfs/dbraw/zinc/15/95/44/659159544.db2.gz RLXGXBDUEQCQKU-ZDUSSCGKSA-N 0 0 319.369 0.135 10 30 DCEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1=O ZINC000294717318 659691320 /nfs/dbraw/zinc/69/13/20/659691320.db2.gz MFIUVCWZFQWEIC-ZDUSSCGKSA-N 0 0 313.357 0.857 10 30 DCEERN C#CCN(C(=O)CCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000729332656 662787642 /nfs/dbraw/zinc/78/76/42/662787642.db2.gz TYAYFAMBCFYJIW-CQSZACIVSA-N 0 0 323.418 0.539 10 30 DCEERN C=CCn1cnc2oc(C)c(C(=O)N3CCN(C)CC3)c2c1=O ZINC000222767375 664388906 /nfs/dbraw/zinc/38/89/06/664388906.db2.gz XURSJHLDPLEDFH-UHFFFAOYSA-N 0 0 316.361 0.872 10 30 DCEERN CCOc1ccc(C(=O)OCC(=O)NCC#N)cc1[N+](=O)[O-] ZINC000731238478 664847520 /nfs/dbraw/zinc/84/75/20/664847520.db2.gz ADPCTXZTRAEMMW-UHFFFAOYSA-N 0 0 307.262 0.790 10 30 DCEERN C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CNC(=O)N2)c1C ZINC000732359366 664917825 /nfs/dbraw/zinc/91/78/25/664917825.db2.gz CIMNTBGLSVDQRL-LBPRGKRZSA-N 0 0 305.334 0.698 10 30 DCEERN C#CCNC(=O)[C@H](C)OC(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000732408435 664923946 /nfs/dbraw/zinc/92/39/46/664923946.db2.gz OUCGLQWURIBTPG-GZTOBOFZSA-N 0 0 315.329 0.136 10 30 DCEERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000732651216 664950071 /nfs/dbraw/zinc/95/00/71/664950071.db2.gz ZYOCHCUNFLGQID-UKRRQHHQSA-N 0 0 318.421 0.834 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000732669281 664950989 /nfs/dbraw/zinc/95/09/89/664950989.db2.gz LVCLIIJPCLPEJF-CQSZACIVSA-N 0 0 316.386 0.919 10 30 DCEERN CC(C)C[C@H]1NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000732672948 664951308 /nfs/dbraw/zinc/95/13/08/664951308.db2.gz QJODRYURGZGVMC-UONOGXRCSA-N 0 0 319.409 0.583 10 30 DCEERN C#CCCNC(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000733355997 666503657 /nfs/dbraw/zinc/50/36/57/666503657.db2.gz HQHMDGGEGQEXGE-UHFFFAOYSA-N 0 0 309.391 0.429 10 30 DCEERN C=CCNC(=O)NC(=O)COC(=O)COc1ccc(O)cc1 ZINC000733829252 666819327 /nfs/dbraw/zinc/81/93/27/666819327.db2.gz SLFOSTYKTVSRAE-UHFFFAOYSA-N 0 0 308.290 0.326 10 30 DCEERN C=C(COC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)OCC ZINC000734027639 666836980 /nfs/dbraw/zinc/83/69/80/666836980.db2.gz WAWSTCROHRDPHX-UHFFFAOYSA-N 0 0 303.292 0.203 10 30 DCEERN C=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC ZINC000734027224 666836982 /nfs/dbraw/zinc/83/69/82/666836982.db2.gz UKZDATYIMKFTHL-UHFFFAOYSA-N 0 0 324.333 0.514 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)NCC[S@@](=O)CC)c1 ZINC000735197589 666965492 /nfs/dbraw/zinc/96/54/92/666965492.db2.gz DMGYHUDFPMXYDG-QFIPXVFZSA-N 0 0 322.386 0.522 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](O)C1 ZINC000702854104 667011107 /nfs/dbraw/zinc/01/11/07/667011107.db2.gz YMDSRLCOWWCAMU-GHMZBOCLSA-N 0 0 319.365 0.410 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000707745266 667441699 /nfs/dbraw/zinc/44/16/99/667441699.db2.gz GPZNJAMAUHOYAV-LBPRGKRZSA-N 0 0 302.440 0.872 10 30 DCEERN Cc1c([C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C(N)=O)cnn1C ZINC000886084997 667729938 /nfs/dbraw/zinc/72/99/38/667729938.db2.gz RZYVLNJHBPKBEH-KGLIPLIRSA-N 0 0 316.405 0.805 10 30 DCEERN C=C(Br)CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000124708128 668122198 /nfs/dbraw/zinc/12/21/98/668122198.db2.gz HAGYQSJEWQERMW-MRVPVSSYSA-N 0 0 311.201 0.724 10 30 DCEERN CC(C)Nc1ncnc2c1ncn2CN1CCO[C@@H](C#N)C1 ZINC000106063930 672278741 /nfs/dbraw/zinc/27/87/41/672278741.db2.gz XJIAFFYYOPFZMM-NSHDSACASA-N 0 0 301.354 0.828 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)c1 ZINC000718579995 685305449 /nfs/dbraw/zinc/30/54/49/685305449.db2.gz WGDLFOMEIVMILG-NEPJUHHUSA-N 0 0 300.311 0.125 10 30 DCEERN C#CC1(O)CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000708113263 939371880 /nfs/dbraw/zinc/37/18/80/939371880.db2.gz QCQUZSUOJSIBTA-UHFFFAOYSA-N 0 0 313.155 0.178 10 30 DCEERN Cn1ccnc1[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CCN1C ZINC000328626767 231258225 /nfs/dbraw/zinc/25/82/25/231258225.db2.gz MBTVQEYJUNIHKL-AWEZNQCLSA-N 0 0 312.377 0.759 10 30 DCEERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)o3)[C@H]2C1 ZINC000286598550 219074633 /nfs/dbraw/zinc/07/46/33/219074633.db2.gz GVOUBYFHRQBZQL-NWDGAFQWSA-N 0 0 311.363 0.245 10 30 DCEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](C#N)C1 ZINC000408446826 529750466 /nfs/dbraw/zinc/75/04/66/529750466.db2.gz RFTYSRQQFHQWHO-GHMZBOCLSA-N 0 0 304.354 0.609 10 30 DCEERN CNC(=O)[C@H](NS(=O)(=O)c1cccc(C)c1C#N)C(C)C ZINC000178874457 529920876 /nfs/dbraw/zinc/92/08/76/529920876.db2.gz DQUZKKSQQDTASM-CYBMUJFWSA-N 0 0 309.391 0.916 10 30 DCEERN Cn1cc([C@H]2NC(=O)[C@H]3COCCN32)c(-c2ccc(C#N)cc2)n1 ZINC000182074868 199383687 /nfs/dbraw/zinc/38/36/87/199383687.db2.gz PGGGLXSQPXHXES-ZBFHGGJFSA-N 0 0 323.356 0.788 10 30 DCEERN CN(C)[C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1[N+](=O)[O-] ZINC000005674822 181270778 /nfs/dbraw/zinc/27/07/78/181270778.db2.gz MZNRFMNCRGXLDY-VMKXVMSDSA-N 0 0 311.363 0.741 10 30 DCEERN CN(C)[C@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccccc1[N+](=O)[O-] ZINC000005674835 181270954 /nfs/dbraw/zinc/27/09/54/181270954.db2.gz MZNRFMNCRGXLDY-DFQOCREESA-N 0 0 311.363 0.741 10 30 DCEERN C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CCN1CCO ZINC000187648819 200140169 /nfs/dbraw/zinc/14/01/69/200140169.db2.gz LOIJJSYJQDDBNW-LLVKDONJSA-N 0 0 308.407 0.557 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CCN1CCO ZINC000188733812 200297230 /nfs/dbraw/zinc/29/72/30/200297230.db2.gz BMIJRZWSPJNIKO-GFCCVEGCSA-N 0 0 309.391 0.245 10 30 DCEERN CNC(=O)CCCN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156943530 291226263 /nfs/dbraw/zinc/22/62/63/291226263.db2.gz ZRZZSKHWEUUBDG-UHFFFAOYSA-N 0 0 323.418 0.790 10 30 DCEERN C[C@H]([C@H](C)NC(=O)N1CCc2cncnc2C1)N1CCOCC1 ZINC000329286990 238607571 /nfs/dbraw/zinc/60/75/71/238607571.db2.gz OYPIODPHSCYEGI-QWHCGFSZSA-N 0 0 319.409 0.858 10 30 DCEERN N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)c(F)c1 ZINC000193351854 201037774 /nfs/dbraw/zinc/03/77/74/201037774.db2.gz LASZPOPCRVLSOO-VIFPVBQESA-N 0 0 301.318 0.867 10 30 DCEERN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1CNC(=O)C1 ZINC000329106372 238590959 /nfs/dbraw/zinc/59/09/59/238590959.db2.gz HKJJELHRSWICCG-VHSXEESVSA-N 0 0 315.395 0.876 10 30 DCEERN Cc1ccncc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369217615 239165948 /nfs/dbraw/zinc/16/59/48/239165948.db2.gz AOEGWGVPKKCEHP-ZDUSSCGKSA-N 0 0 313.361 0.527 10 30 DCEERN Cc1nn(C)c(C)c1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370970982 239179750 /nfs/dbraw/zinc/17/97/50/239179750.db2.gz ASGSQCWPNUSELY-AWEZNQCLSA-N 0 0 301.394 0.778 10 30 DCEERN CN(C)C(=O)c1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)[nH]1 ZINC000371327943 239183527 /nfs/dbraw/zinc/18/35/27/239183527.db2.gz QLYLWRFSDBAWRP-CQSZACIVSA-N 0 0 301.394 0.889 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371622210 239185185 /nfs/dbraw/zinc/18/51/85/239185185.db2.gz TZTJKGGMOWMQFZ-AWEZNQCLSA-N 0 0 316.386 0.919 10 30 DCEERN N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCN1C1CC1 ZINC000371622941 239185947 /nfs/dbraw/zinc/18/59/47/239185947.db2.gz ZIIDMEZBSOSXCQ-KBPBESRZSA-N 0 0 313.423 0.557 10 30 DCEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000408339266 239265707 /nfs/dbraw/zinc/26/57/07/239265707.db2.gz OTWPEXJXBVBLRI-FZMZJTMJSA-N 0 0 319.386 0.943 10 30 DCEERN C[C@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407988079 239257773 /nfs/dbraw/zinc/25/77/73/239257773.db2.gz CAUWQRNCRZVMGQ-OWCLPIDISA-N 0 0 320.437 0.544 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000407973369 239258297 /nfs/dbraw/zinc/25/82/97/239258297.db2.gz JPDICXQJJYAZGZ-GHMZBOCLSA-N 0 0 312.399 0.463 10 30 DCEERN C=CCOc1cccnc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC000425290636 240332987 /nfs/dbraw/zinc/33/29/87/240332987.db2.gz GVPXJEOEBHDJQO-ZDUSSCGKSA-N 0 0 321.377 0.069 10 30 DCEERN C=C(C)C[C@H](C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000457844183 241042854 /nfs/dbraw/zinc/04/28/54/241042854.db2.gz IQIYRBFWNAMTCD-ZDUSSCGKSA-N 0 0 317.455 0.976 10 30 DCEERN C[C@@H](C(=O)Nc1c(C#N)cnn1C)N1c2ccccc2C(=O)C1=O ZINC000016893353 182062544 /nfs/dbraw/zinc/06/25/44/182062544.db2.gz XPMJVWJUIDJNBF-VIFPVBQESA-N 0 0 323.312 0.848 10 30 DCEERN Cn1ncc2c1ncn(CC(=O)Nc1ccccc1C#N)c2=O ZINC000017180111 182078500 /nfs/dbraw/zinc/07/85/00/182078500.db2.gz ZFPWDDHBYPHWHU-UHFFFAOYSA-N 0 0 308.301 0.640 10 30 DCEERN C=CCNc1ncnc(N2CCN(C(=O)OCC)CC2)c1N ZINC000040709175 183121208 /nfs/dbraw/zinc/12/12/08/183121208.db2.gz OKBLXGSHPAAFMQ-UHFFFAOYSA-N 0 0 306.370 0.935 10 30 DCEERN N#Cc1cnc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000106463476 194216876 /nfs/dbraw/zinc/21/68/76/194216876.db2.gz RSIRBMLMWUUMRS-TZMCWYRMSA-N 0 0 315.289 0.763 10 30 DCEERN CCc1nn(Cc2nnnn2C(C)C)c(=O)c(C#N)c1CC ZINC000110147538 194313784 /nfs/dbraw/zinc/31/37/84/194313784.db2.gz GBTQSFXGULEHSV-UHFFFAOYSA-N 0 0 301.354 0.855 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000282630021 533141810 /nfs/dbraw/zinc/14/18/10/533141810.db2.gz KKNIDCZELIATDH-RYUDHWBXSA-N 0 0 312.399 0.251 10 30 DCEERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000091414322 395724922 /nfs/dbraw/zinc/72/49/22/395724922.db2.gz GPNRTSMCRFCOKL-UHFFFAOYSA-N 0 0 318.308 0.230 10 30 DCEERN C=CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000091865829 395727872 /nfs/dbraw/zinc/72/78/72/395727872.db2.gz SGXYJQWBOOYCSS-AWEZNQCLSA-N 0 0 315.373 0.394 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)OC)cc1F ZINC000273392875 395917887 /nfs/dbraw/zinc/91/78/87/395917887.db2.gz GXAFJNBVCFZLLI-SNVBAGLBSA-N 0 0 324.308 0.604 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000273432411 395921026 /nfs/dbraw/zinc/92/10/26/395921026.db2.gz PDTMMXQITHBTAF-GFCCVEGCSA-N 0 0 302.334 0.634 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C(=O)N(CC)CC ZINC000065296728 395992551 /nfs/dbraw/zinc/99/25/51/395992551.db2.gz NDBYSXXVNITXLB-GFCCVEGCSA-N 0 0 310.398 0.331 10 30 DCEERN C[C@@H](C#N)CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182795515 396254284 /nfs/dbraw/zinc/25/42/84/396254284.db2.gz JWSBYOMGCYPKNS-STQMWFEESA-N 0 0 308.382 0.426 10 30 DCEERN CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000263720215 396225645 /nfs/dbraw/zinc/22/56/45/396225645.db2.gz RLCQXNCOHFRJFI-UHFFFAOYSA-N 0 0 322.390 0.442 10 30 DCEERN Cc1oc(NC(=O)[C@H](C)N2C[C@H](O)C[C@@H]2CO)c(C#N)c1C ZINC000184738706 396304040 /nfs/dbraw/zinc/30/40/40/396304040.db2.gz DBLLMAZHPVVTDL-MVWJERBFSA-N 0 0 307.350 0.523 10 30 DCEERN CC(C)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185468234 396328361 /nfs/dbraw/zinc/32/83/61/396328361.db2.gz VFBKXKKPZGMOCK-UHFFFAOYSA-N 0 0 312.333 0.850 10 30 DCEERN CNC(=O)[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000189054934 396390670 /nfs/dbraw/zinc/39/06/70/396390670.db2.gz JZTUCOSGFYCDOF-CQSZACIVSA-N 0 0 313.357 0.563 10 30 DCEERN C=CCOC[C@@H]1NC(=O)N(C[C@H](CC(=O)OC)C2CC2)C1=O ZINC000594750463 396506002 /nfs/dbraw/zinc/50/60/02/396506002.db2.gz ZSLNRGYJNNFRDE-RYUDHWBXSA-N 0 0 310.350 0.699 10 30 DCEERN C=CCCCS(=O)(=O)N1CCC[C@@]1(COC)C(=O)OC ZINC000594809442 396519809 /nfs/dbraw/zinc/51/98/09/396519809.db2.gz ZIZKHRABJBSQCO-CYBMUJFWSA-N 0 0 305.396 0.936 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NCCO[C@@H]2CC2(F)F)cn1 ZINC000594840206 396525894 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397828604 /nfs/dbraw/zinc/82/86/04/397828604.db2.gz QDDVSGVGTNCLEX-UHFFFAOYSA-N 0 0 314.389 0.333 10 30 DCEERN N#Cc1ccc(OCCNC(=O)N2CCNC(=O)CC2)cc1 ZINC000074736781 158059471 /nfs/dbraw/zinc/05/94/71/158059471.db2.gz XERHDKZOFMWLOU-UHFFFAOYSA-N 0 0 302.334 0.469 10 30 DCEERN CC(C)[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)N1CCOCC1 ZINC000084216172 158088989 /nfs/dbraw/zinc/08/89/89/158088989.db2.gz AQTQSLIATPRAHC-AWEZNQCLSA-N 0 0 318.377 0.510 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)NC[C@]2(CCO)CCOC2)c1 ZINC000120163251 158195392 /nfs/dbraw/zinc/19/53/92/158195392.db2.gz VGOOKYBMKACWKS-HNNXBMFYSA-N 0 0 324.402 0.767 10 30 DCEERN N#Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000170008205 158373593 /nfs/dbraw/zinc/37/35/93/158373593.db2.gz CBJMDRHKRCMJFA-UHFFFAOYSA-N 0 0 316.342 0.531 10 30 DCEERN COCCN1CCCN(C(=O)c2cccc(C#N)c2)CC1=O ZINC000191223657 158566697 /nfs/dbraw/zinc/56/66/97/158566697.db2.gz ZIEBYZLNLCKEOU-UHFFFAOYSA-N 0 0 301.346 0.879 10 30 DCEERN COC(=O)c1cn([C@H]2CCN(c3nc(C)cc(C#N)n3)C2)nn1 ZINC000367420416 159338219 /nfs/dbraw/zinc/33/82/19/159338219.db2.gz QZQTXAUUSDRRMM-NSHDSACASA-N 0 0 313.321 0.486 10 30 DCEERN N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000407964749 159997867 /nfs/dbraw/zinc/99/78/67/159997867.db2.gz IAHPHJVDWUQJBG-GFCCVEGCSA-N 0 0 316.361 0.597 10 30 DCEERN COCCN(CCC#N)S(=O)(=O)N1CCOCC[C@@H]1C ZINC000367135653 292468857 /nfs/dbraw/zinc/46/88/57/292468857.db2.gz OAUVUDMDWROZAH-LBPRGKRZSA-N 0 0 305.400 0.204 10 30 DCEERN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CCCO1 ZINC000247019892 287090224 /nfs/dbraw/zinc/09/02/24/287090224.db2.gz HJPXBEUODKWRQF-QWHCGFSZSA-N 0 0 315.377 0.954 10 30 DCEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000267355015 415144889 /nfs/dbraw/zinc/14/48/89/415144889.db2.gz FFIGDAZUNDJFBJ-QWRGUYRKSA-N 0 0 322.336 0.909 10 30 DCEERN CN(CC(N)=O)C[C@@H]1CN(c2ncc(C#N)cc2Cl)CCO1 ZINC000275571534 415378474 /nfs/dbraw/zinc/37/84/74/415378474.db2.gz GWSWKLJIPNSAGB-LLVKDONJSA-N 0 0 323.784 0.229 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NCCCN1CCCCC1=O ZINC000343329410 415561163 /nfs/dbraw/zinc/56/11/63/415561163.db2.gz FVJUQHKWFNTPSK-UHFFFAOYSA-N 0 0 309.410 0.930 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@]2(CCCOC2)C1 ZINC000285207160 415609105 /nfs/dbraw/zinc/60/91/05/415609105.db2.gz DJLNKHIYIGIPIZ-WFASDCNBSA-N 0 0 311.382 0.268 10 30 DCEERN N#Cc1ccccc1OCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000105569289 415632320 /nfs/dbraw/zinc/63/23/20/415632320.db2.gz BLKUPUNWUPKSHO-OAHLLOKOSA-N 0 0 315.373 0.870 10 30 DCEERN C#CCC(CC#C)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000287661148 415671282 /nfs/dbraw/zinc/67/12/82/415671282.db2.gz HZTNIBHZYQSZMM-ZIAGYGMSSA-N 0 0 310.419 0.483 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2CCCC2)C1=O ZINC000287558482 415671561 /nfs/dbraw/zinc/67/15/61/415671561.db2.gz WTVGNTMLWYVYHN-OCCSQVGLSA-N 0 0 321.421 0.927 10 30 DCEERN C=CCCCS(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000292173834 415837461 /nfs/dbraw/zinc/83/74/61/415837461.db2.gz DVHJJIZLQKXZAD-UHFFFAOYSA-N 0 0 314.329 0.989 10 30 DCEERN C#CCSCCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000121475818 415802582 /nfs/dbraw/zinc/80/25/82/415802582.db2.gz DIXLMFKTCLUROZ-UHFFFAOYSA-N 0 0 304.437 0.571 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)C1=O ZINC000354666888 415809822 /nfs/dbraw/zinc/80/98/22/415809822.db2.gz GJRQVAIRLSOMKK-WOPDTQHZSA-N 0 0 321.377 0.856 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])C1=O ZINC000337075720 415905125 /nfs/dbraw/zinc/90/51/25/415905125.db2.gz QHXJTDLLTNUEDR-SNVBAGLBSA-N 0 0 321.337 0.670 10 30 DCEERN C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337103934 415910022 /nfs/dbraw/zinc/91/00/22/415910022.db2.gz AFZYBHROBHZMSA-NWDGAFQWSA-N 0 0 303.428 0.922 10 30 DCEERN N#CCCn1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000129883039 415914720 /nfs/dbraw/zinc/91/47/20/415914720.db2.gz CWZWMLKJCDTXIZ-GHMZBOCLSA-N 0 0 304.354 0.962 10 30 DCEERN C#Cc1ccc(CNC(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000296342376 415922453 /nfs/dbraw/zinc/92/24/53/415922453.db2.gz NGNKCZWCCNCQSZ-UHFFFAOYSA-N 0 0 315.373 0.716 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCn1ncn(C)c1=O ZINC000293688744 415862029 /nfs/dbraw/zinc/86/20/29/415862029.db2.gz QKHXLINGIADQPM-HNNXBMFYSA-N 0 0 312.373 0.723 10 30 DCEERN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000297573923 415965387 /nfs/dbraw/zinc/96/53/87/415965387.db2.gz YQNYCXKKARUPQB-UHFFFAOYSA-N 0 0 315.373 0.922 10 30 DCEERN C#Cc1ccc(CNC(=O)C2=C(C)N(C)c3nnnn3C2)cc1 ZINC000296533549 415932445 /nfs/dbraw/zinc/93/24/45/415932445.db2.gz XBHXPAUXHKUCLL-UHFFFAOYSA-N 0 0 308.345 0.695 10 30 DCEERN C=CCCCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000172174956 416043647 /nfs/dbraw/zinc/04/36/47/416043647.db2.gz HGRVPQWDTGHCOZ-UHFFFAOYSA-N 0 0 303.428 0.147 10 30 DCEERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCC[C@@H]1C#N ZINC000300164698 416073254 /nfs/dbraw/zinc/07/32/54/416073254.db2.gz JKQQENYIKCFATB-WYUUTHIRSA-N 0 0 300.380 0.940 10 30 DCEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(=O)OC 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C=CCCC[C@H](C)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000340912153 416195764 /nfs/dbraw/zinc/19/57/64/416195764.db2.gz IZNVYWROHZZVIT-ZNMIVQPWSA-N 0 0 316.467 0.507 10 30 DCEERN C=CCNC(=O)CNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000347907429 416226914 /nfs/dbraw/zinc/22/69/14/416226914.db2.gz YHKGGXRHUZVGSN-LBPRGKRZSA-N 0 0 302.378 0.960 10 30 DCEERN CCNC(=O)C1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000178119795 416157835 /nfs/dbraw/zinc/15/78/35/416157835.db2.gz OZZBWENNVQRQPE-LLVKDONJSA-N 0 0 301.346 0.920 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000329269243 416160423 /nfs/dbraw/zinc/16/04/23/416160423.db2.gz GVIMQRAPXMWMJD-KGLIPLIRSA-N 0 0 321.425 0.673 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000349587367 416255948 /nfs/dbraw/zinc/25/59/48/416255948.db2.gz XACJPGQXELQTSE-LLVKDONJSA-N 0 0 305.396 0.576 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)C(C)(C)C)C1=O ZINC000350768547 416270698 /nfs/dbraw/zinc/27/06/98/416270698.db2.gz 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/nfs/dbraw/zinc/36/21/29/416362129.db2.gz MRTAAVHUYKPGPL-GFCCVEGCSA-N 0 0 322.317 0.342 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000532794719 416455827 /nfs/dbraw/zinc/45/58/27/416455827.db2.gz LHALJIWPTKYTJX-CQSZACIVSA-N 0 0 321.402 0.641 10 30 DCEERN COCCn1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000365414737 416603067 /nfs/dbraw/zinc/60/30/67/416603067.db2.gz DRKCQGBSWJBPID-ZDUSSCGKSA-N 0 0 318.381 0.734 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425391073 416700554 /nfs/dbraw/zinc/70/05/54/416700554.db2.gz XKQHEMDPLPFQDE-CQSZACIVSA-N 0 0 322.453 0.306 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)nn1C(C)(C)C ZINC000561979973 416862472 /nfs/dbraw/zinc/86/24/72/416862472.db2.gz LPRUYMUZZOSQBT-LLVKDONJSA-N 0 0 308.382 0.938 10 30 DCEERN C=C1CC(C)(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000632007600 416864243 /nfs/dbraw/zinc/86/42/43/416864243.db2.gz QDBUHYWUOILTOR-UHFFFAOYSA-N 0 0 309.391 0.832 10 30 DCEERN N#CCCN(C(=O)CN1CCOCC1=O)c1ccc(F)cc1 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C=C(COC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)OCC ZINC000734028279 666837344 /nfs/dbraw/zinc/83/73/44/666837344.db2.gz IJMTWUSDXYADPL-UHFFFAOYSA-N 0 0 319.360 0.672 10 30 DCEERN C#Cc1cccc(NC(=S)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000734986040 666930834 /nfs/dbraw/zinc/93/08/34/666930834.db2.gz JRIWFJDKJVZMBW-ZDUSSCGKSA-N 0 0 323.443 0.988 10 30 DCEERN Cn1cc(C(=O)NCc2ccc(C#N)cc2F)c(=O)n(C)c1=O ZINC000735011191 666935207 /nfs/dbraw/zinc/93/52/07/666935207.db2.gz UWJBXWYTRYGWET-UHFFFAOYSA-N 0 0 316.292 0.025 10 30 DCEERN Cc1noc(C)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737199413 667091273 /nfs/dbraw/zinc/09/12/73/667091273.db2.gz VALRMHGAOAHGQY-GFCCVEGCSA-N 0 0 317.349 0.429 10 30 DCEERN C[C@H](C#N)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000120609396 667331058 /nfs/dbraw/zinc/33/10/58/667331058.db2.gz UPLLPUKGTRXESD-SECBINFHSA-N 0 0 306.347 0.096 10 30 DCEERN N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCOC[C@H]1O ZINC000706792597 667423476 /nfs/dbraw/zinc/42/34/76/667423476.db2.gz RAVUHSHZXRXXIS-WDEREUQCSA-N 0 0 300.311 0.125 10 30 DCEERN Cc1ccnc(N2CCC[C@@](O)(Cc3nncn3C)C2)c1C#N ZINC000886065692 667727847 /nfs/dbraw/zinc/72/78/47/667727847.db2.gz PVTSRFGNRAIHLH-MRXNPFEDSA-N 0 0 312.377 0.964 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)ccc1NCC(=O)NC1CCCC1 ZINC000742397394 667790619 /nfs/dbraw/zinc/79/06/19/667790619.db2.gz CUNJWAMSYORZLY-UHFFFAOYSA-N 0 0 322.390 0.676 10 30 DCEERN C=C(Br)CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000124708262 668122949 /nfs/dbraw/zinc/12/29/49/668122949.db2.gz HAGYQSJEWQERMW-QMMMGPOBSA-N 0 0 311.201 0.724 10 30 DCEERN C#CCCN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000127288153 668760854 /nfs/dbraw/zinc/76/08/54/668760854.db2.gz WRUSMFSDJARYAS-IRXDYDNUSA-N 0 0 319.449 0.797 10 30 DCEERN C#CCSCCNC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000155643452 669834032 /nfs/dbraw/zinc/83/40/32/669834032.db2.gz IPCVTHWMHIBYAL-UHFFFAOYSA-N 0 0 312.416 0.739 10 30 DCEERN C#C[C@](C)(CC)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000395141039 1157951208 /nfs/dbraw/zinc/95/12/08/1157951208.db2.gz CLBUKMPZKJFVDG-GFCCVEGCSA-N 0 0 316.404 0.414 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1C#N ZINC000320063639 685219225 /nfs/dbraw/zinc/21/92/25/685219225.db2.gz APDRNBYBVNWGLY-UHFFFAOYSA-N 0 0 323.374 0.789 10 30 DCEERN C=CCNC(=O)Cc1noc(-c2coc(S(C)(=O)=O)c2)n1 ZINC000351437819 1159037411 /nfs/dbraw/zinc/03/74/11/1159037411.db2.gz WKVMFUJKJRSIPC-UHFFFAOYSA-N 0 0 311.319 0.578 10 30 DCEERN N#Cc1ccnnc1NCCc1ccc(S(N)(=O)=O)cc1 ZINC000125445617 1177171695 /nfs/dbraw/zinc/17/16/95/1177171695.db2.gz AYUXMRKSKQPYOA-UHFFFAOYSA-N 0 0 303.347 0.650 10 30 DCEERN C=CCN(CC(=O)OCC)Cc1csc(CC(=O)NC)n1 ZINC000177581220 1184251390 /nfs/dbraw/zinc/25/13/90/1184251390.db2.gz WFKUYETYIWCSPH-UHFFFAOYSA-N 0 0 311.407 0.983 10 30 DCEERN C#CCC(C)(C)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588456915 747311600 /nfs/dbraw/zinc/31/16/00/747311600.db2.gz XNQFZCNVQRZVKQ-FPLPWBNLSA-N 0 0 304.346 0.690 10 30 DCEERN N#CCCNC(=O)CN1CCC(c2nnc3n2CCC3)CC1 ZINC000047258342 769250969 /nfs/dbraw/zinc/25/09/69/769250969.db2.gz BTWWTHJUYSTBEG-UHFFFAOYSA-N 0 0 302.382 0.434 10 30 DCEERN CN1CCO[C@@H]2CN(C(=O)NCc3cn4c(n3)CCCC4)C[C@@H]21 ZINC000329639248 529785131 /nfs/dbraw/zinc/78/51/31/529785131.db2.gz ZEKXTDKJLFAVEM-UONOGXRCSA-N 0 0 319.409 0.648 10 30 DCEERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000179077295 529895963 /nfs/dbraw/zinc/89/59/63/529895963.db2.gz MUJOWYSAAHTESQ-LBPRGKRZSA-N 0 0 302.334 0.384 10 30 DCEERN CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000077614239 282639513 /nfs/dbraw/zinc/63/95/13/282639513.db2.gz UPLSDRVVQUPAAW-IPYPFGDCSA-N 0 0 314.345 0.352 10 30 DCEERN CN1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1=O ZINC000191093585 282780201 /nfs/dbraw/zinc/78/02/01/282780201.db2.gz JRYNHASHOCBTKI-LBPRGKRZSA-N 0 0 318.402 0.889 10 30 DCEERN COCc1nc2ncc3c(ccn(-c4n[nH]cc4C#N)c3=O)n2n1 ZINC000072465677 191174338 /nfs/dbraw/zinc/17/43/38/191174338.db2.gz IPFBMHLEMBLBBI-UHFFFAOYSA-N 0 0 322.288 0.170 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177626053 198753507 /nfs/dbraw/zinc/75/35/07/198753507.db2.gz ZPALNBBMNUFGFJ-ZDUSSCGKSA-N 0 0 309.329 0.329 10 30 DCEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000116810275 236922469 /nfs/dbraw/zinc/92/24/69/236922469.db2.gz AZOKZKZWQSRNCB-MEBBXXQBSA-N 0 0 306.366 0.905 10 30 DCEERN N#Cc1ncn(CC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000178585010 237230410 /nfs/dbraw/zinc/23/04/10/237230410.db2.gz ITAYJGDTXXLPEF-ZDUSSCGKSA-N 0 0 324.344 0.462 10 30 DCEERN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cn1 ZINC000186673858 237320283 /nfs/dbraw/zinc/32/02/83/237320283.db2.gz NQIXOZWMURCNEZ-NSHDSACASA-N 0 0 308.363 0.364 10 30 DCEERN C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(C#N)cn1C ZINC000186740989 237323101 /nfs/dbraw/zinc/32/31/01/237323101.db2.gz SJCJOSMPBLTAMJ-LBPRGKRZSA-N 0 0 304.394 0.814 10 30 DCEERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000329427692 238621224 /nfs/dbraw/zinc/62/12/24/238621224.db2.gz 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/nfs/dbraw/zinc/17/92/95/239179295.db2.gz ASGSQCWPNUSELY-CQSZACIVSA-N 0 0 301.394 0.778 10 30 DCEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000374457562 239210995 /nfs/dbraw/zinc/21/09/95/239210995.db2.gz VDYXVGYWALVZKI-MCIONIFRSA-N 0 0 315.439 0.950 10 30 DCEERN Cc1nc(C)n(C[C@H]2CN(C(=O)C3(C#N)CCC3)CCO2)n1 ZINC000408244514 239264544 /nfs/dbraw/zinc/26/45/44/239264544.db2.gz CEHFFQCYKXNPND-CYBMUJFWSA-N 0 0 303.366 0.816 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000424929618 240273249 /nfs/dbraw/zinc/27/32/49/240273249.db2.gz CBGUUWGGYPILQE-UWVGGRQHSA-N 0 0 314.363 0.556 10 30 DCEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408197853 299381219 /nfs/dbraw/zinc/38/12/19/299381219.db2.gz KCRVZSPGLQOBDH-ZDEQEGDKSA-N 0 0 313.423 0.302 10 30 DCEERN C=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)C(=O)OCC ZINC000264980893 204320640 /nfs/dbraw/zinc/32/06/40/204320640.db2.gz HILCUVGZOKIJFJ-JTQLQIEISA-N 0 0 313.379 0.962 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000273479252 210805443 /nfs/dbraw/zinc/80/54/43/210805443.db2.gz ZGLOALHFMLOMMQ-SNVBAGLBSA-N 0 0 324.308 0.604 10 30 DCEERN N#CCN(CC#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000057684036 184046499 /nfs/dbraw/zinc/04/64/99/184046499.db2.gz QFBNDARFTRPNQD-UHFFFAOYSA-N 0 0 311.750 0.989 10 30 DCEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000407953425 285000214 /nfs/dbraw/zinc/00/02/14/285000214.db2.gz LQNYDCSDWIWNRA-LBPRGKRZSA-N 0 0 301.412 0.825 10 30 DCEERN CC(=O)NCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000174794279 252599039 /nfs/dbraw/zinc/59/90/39/252599039.db2.gz YCFGKTJRMQLZQX-UHFFFAOYSA-N 0 0 304.350 0.762 10 30 DCEERN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nccc(C#N)n2)CC1 ZINC000297366772 533196681 /nfs/dbraw/zinc/19/66/81/533196681.db2.gz CNJWRHRGPKPZHC-ZDUSSCGKSA-N 0 0 314.393 0.481 10 30 DCEERN N#CC1(C(=O)N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)CC1 ZINC000247661811 257117918 /nfs/dbraw/zinc/11/79/18/257117918.db2.gz TVNQOMSCPGCJRR-UONOGXRCSA-N 0 0 310.357 0.802 10 30 DCEERN C=C(CN1C(=O)N[C@](C)(CCC(=O)OC)C1=O)C(=O)OCC ZINC000289654200 335062243 /nfs/dbraw/zinc/06/22/43/335062243.db2.gz XNECQHHRXXFNPD-CQSZACIVSA-N 0 0 312.322 0.369 10 30 DCEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000375708422 533397082 /nfs/dbraw/zinc/39/70/82/533397082.db2.gz UUJNMXPYKDDVTL-RYUDHWBXSA-N 0 0 312.399 0.394 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122057269 132161934 /nfs/dbraw/zinc/16/19/34/132161934.db2.gz HUPZLLKEODLAIX-RYUDHWBXSA-N 0 0 322.386 0.971 10 30 DCEERN CN1CCO[C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000108399489 395788823 /nfs/dbraw/zinc/78/88/23/395788823.db2.gz YDRXWJLOIVZBCR-CQSZACIVSA-N 0 0 309.391 0.308 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000273549411 395929044 /nfs/dbraw/zinc/92/90/44/395929044.db2.gz VROSBGLMQVUKOL-ZDUSSCGKSA-N 0 0 324.402 0.794 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC ZINC000273456568 395922643 /nfs/dbraw/zinc/92/26/43/395922643.db2.gz HCPLXYZJGWQZCZ-UTUOFQBUSA-N 0 0 300.424 0.987 10 30 DCEERN CCOCCN1CC[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000131508757 395924730 /nfs/dbraw/zinc/92/47/30/395924730.db2.gz TXMKPVIRIQWUBS-HNNXBMFYSA-N 0 0 310.442 0.791 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000273549406 395928798 /nfs/dbraw/zinc/92/87/98/395928798.db2.gz VROSBGLMQVUKOL-CYBMUJFWSA-N 0 0 324.402 0.794 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000067704634 396030669 /nfs/dbraw/zinc/03/06/69/396030669.db2.gz FMWVIYOXBAPTKT-OAHLLOKOSA-N 0 0 313.357 0.764 10 30 DCEERN C=CCCO[C@@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000066306964 396004952 /nfs/dbraw/zinc/00/49/52/396004952.db2.gz SZWUHGUIUNBPEC-NSHDSACASA-N 0 0 312.391 0.931 10 30 DCEERN C[C@H](C(=O)OC(C)(C)C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000176822652 396161723 /nfs/dbraw/zinc/16/17/23/396161723.db2.gz YCDFTZMQTSFRMP-SECBINFHSA-N 0 0 322.365 0.122 10 30 DCEERN 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324.142 0.513 10 30 DCEERN C=CCn1c(C)nnc1N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000624818688 417120499 /nfs/dbraw/zinc/12/04/99/417120499.db2.gz XAFBAAWQUDXTDB-GFCCVEGCSA-N 0 0 313.427 0.538 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCn2ncnc2C1 ZINC000632534809 417149179 /nfs/dbraw/zinc/14/91/79/417149179.db2.gz GXPZDQGFIMWCQW-UHFFFAOYSA-N 0 0 305.382 0.729 10 30 DCEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC000617043679 417158553 /nfs/dbraw/zinc/15/85/53/417158553.db2.gz CTJOLTHHVBWKBU-NWDGAFQWSA-N 0 0 303.428 0.634 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](O)C3)cc2C1=O ZINC000412403513 417218063 /nfs/dbraw/zinc/21/80/63/417218063.db2.gz NZDULOPCNYTRPX-PHIMTYICSA-N 0 0 300.314 0.722 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nccnc2OCCC)CC1 ZINC000527831209 417278848 /nfs/dbraw/zinc/27/88/48/417278848.db2.gz GRHFGZWDJBUPQV-UHFFFAOYSA-N 0 0 319.409 0.690 10 30 DCEERN C=CCn1cc(CNC(=O)N[C@@H]2CCCn3nccc32)nn1 ZINC000633317437 417406681 /nfs/dbraw/zinc/40/66/81/417406681.db2.gz 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CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000546687216 288025805 /nfs/dbraw/zinc/02/58/05/288025805.db2.gz GVCFWLKKCCXXOD-QWRGUYRKSA-N 0 0 305.338 0.653 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000081578739 279326175 /nfs/dbraw/zinc/32/61/75/279326175.db2.gz VYSNQPGHKSLPGO-AWEZNQCLSA-N 0 0 308.341 0.949 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CCS1(=O)=O ZINC000157795346 288243167 /nfs/dbraw/zinc/24/31/67/288243167.db2.gz DQLIBZQAADPIGS-SNVBAGLBSA-N 0 0 314.388 0.366 10 30 DCEERN C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)S(C)(=O)=O ZINC000366184761 298037076 /nfs/dbraw/zinc/03/70/76/298037076.db2.gz QEZFPMBINATOAS-DYEKYZERSA-N 0 0 314.407 0.873 10 30 DCEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000329679832 300377766 /nfs/dbraw/zinc/37/77/66/300377766.db2.gz WDYPUBKEDSRSMN-PUYCXIDMSA-N 0 0 322.452 0.175 10 30 DCEERN Cc1csc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000363586747 302424422 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ZINC000602856221 397503677 /nfs/dbraw/zinc/50/36/77/397503677.db2.gz KWXWMABQMBNHOC-AVGNSLFASA-N 0 0 307.398 0.305 10 30 DCEERN C=CCNC(=O)NC(=O)CN1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599690288 397506678 /nfs/dbraw/zinc/50/66/78/397506678.db2.gz MYPQYNDWBCOXQR-ZSBIGDGJSA-N 0 0 311.382 0.660 10 30 DCEERN CO[C@](C)(CO)CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594485710 397562208 /nfs/dbraw/zinc/56/22/08/397562208.db2.gz SNWOXVFGGHWRKU-LBPRGKRZSA-N 0 0 318.782 0.887 10 30 DCEERN C=CCN1CC[C@@H](N2CCCC[C@]2(COC)C(=O)OC)C1=O ZINC000602909550 397521822 /nfs/dbraw/zinc/52/18/22/397521822.db2.gz BOAWZCZXBCNIFG-CJNGLKHVSA-N 0 0 310.394 0.817 10 30 DCEERN C=CCOC[C@H](NC(=O)[C@@H]1CCn2cc(C)nc2C1)C(=O)OC ZINC000599874337 397533933 /nfs/dbraw/zinc/53/39/33/397533933.db2.gz QBUNZFRVISCWGH-OLZOCXBDSA-N 0 0 321.377 0.614 10 30 DCEERN CC(=O)N1CC[C@@H](CNS(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000603378357 397604086 /nfs/dbraw/zinc/60/40/86/397604086.db2.gz CPSIAFLCDYOUGI-AWEZNQCLSA-N 0 0 321.402 0.899 10 30 DCEERN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 ZINC000122299452 158220155 /nfs/dbraw/zinc/22/01/55/158220155.db2.gz HLGDSMBSSYUJJY-IUODEOHRSA-N 0 0 303.362 0.902 10 30 DCEERN CN1N=C(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC1=O ZINC000183652816 158500361 /nfs/dbraw/zinc/50/03/61/158500361.db2.gz XNRMHVOFEJOGRB-UHFFFAOYSA-N 0 0 323.316 0.686 10 30 DCEERN CO[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1OC ZINC000230347467 158623895 /nfs/dbraw/zinc/62/38/95/158623895.db2.gz UMYURCKZRIJOBB-UWVGGRQHSA-N 0 0 302.377 0.654 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)c3ccc(C#N)nc3)C[C@@H]21 ZINC000408016481 160011761 /nfs/dbraw/zinc/01/17/61/160011761.db2.gz KRULARRJQXNQOD-KBPBESRZSA-N 0 0 322.390 0.047 10 30 DCEERN CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000408111993 160038190 /nfs/dbraw/zinc/03/81/90/160038190.db2.gz HJNIZTJWCGXRDG-UHFFFAOYSA-N 0 0 311.363 0.640 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000408466119 160114094 /nfs/dbraw/zinc/11/40/94/160114094.db2.gz IKMOPQVZAYRDRH-SECBINFHSA-N 0 0 301.318 0.964 10 30 DCEERN C=CCc1cc([C@H]2NC(=O)[C@@H]3COCCN32)cc(OC)c1O ZINC000093883980 415548738 /nfs/dbraw/zinc/54/87/38/415548738.db2.gz XCPCQAJBMLITBR-WFASDCNBSA-N 0 0 304.346 0.959 10 30 DCEERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)nc3)[C@@H]2C1 ZINC000284864148 415600843 /nfs/dbraw/zinc/60/08/43/415600843.db2.gz DBHVYHPBWGFHPB-ZIAGYGMSSA-N 0 0 322.390 0.047 10 30 DCEERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000101576788 415595520 /nfs/dbraw/zinc/59/55/20/415595520.db2.gz SFVXHGNZXJNEAT-LBPRGKRZSA-N 0 0 316.427 0.313 10 30 DCEERN N#Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc1 ZINC000107534558 415669371 /nfs/dbraw/zinc/66/93/71/415669371.db2.gz LJNHKIDNESHYEL-UHFFFAOYSA-N 0 0 316.342 0.531 10 30 DCEERN CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000336842560 415831424 /nfs/dbraw/zinc/83/14/24/415831424.db2.gz UXZFFOMGXVIESO-CABZTGNLSA-N 0 0 315.420 0.652 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2ccncc2C)CC1 ZINC000121532643 415807541 /nfs/dbraw/zinc/80/75/41/415807541.db2.gz JBHYSPPSODRAMN-UHFFFAOYSA-N 0 0 317.393 0.842 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)C1=O ZINC000354666884 415811369 /nfs/dbraw/zinc/81/13/69/415811369.db2.gz GJRQVAIRLSOMKK-IJLUTSLNSA-N 0 0 321.377 0.856 10 30 DCEERN N#CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000294742168 415876232 /nfs/dbraw/zinc/87/62/32/415876232.db2.gz YJKBXDHINFTKLE-CQSZACIVSA-N 0 0 313.357 0.822 10 30 DCEERN C=CCOc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000128986337 415903851 /nfs/dbraw/zinc/90/38/51/415903851.db2.gz ZQORHMMNCHOIIK-OAHLLOKOSA-N 0 0 320.389 0.674 10 30 DCEERN C=CC[C@H](CO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000337075852 415904782 /nfs/dbraw/zinc/90/47/82/415904782.db2.gz QKGOCWZYSLAHMY-UPJWGTAASA-N 0 0 308.378 0.605 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000298089681 415992993 /nfs/dbraw/zinc/99/29/93/415992993.db2.gz ZRXPBVYGBBOKLJ-UHFFFAOYSA-N 0 0 316.423 0.447 10 30 DCEERN C=C(C)C[C@H](C)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000337231061 415931621 /nfs/dbraw/zinc/93/16/21/415931621.db2.gz WRQXSSGGKXOPLX-NSHDSACASA-N 0 0 317.407 0.825 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000337247942 415934512 /nfs/dbraw/zinc/93/45/12/415934512.db2.gz KPUSFEYEUDTYKX-LLVKDONJSA-N 0 0 308.334 0.696 10 30 DCEERN N#Cc1ccc(OCCNC(=O)NCC(=O)NC2CC2)cc1 ZINC000173800132 416065623 /nfs/dbraw/zinc/06/56/23/416065623.db2.gz JQQMVYQKWAIEJR-UHFFFAOYSA-N 0 0 302.334 0.515 10 30 DCEERN Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc(C#N)nc1 ZINC000170660555 416028694 /nfs/dbraw/zinc/02/86/94/416028694.db2.gz RXLBFRZPSIXNKB-UHFFFAOYSA-N 0 0 319.390 0.825 10 30 DCEERN Cc1cccc2[nH]c(CNc3c(C#N)c(=O)n(C)c(=O)n3C)nc21 ZINC000301863857 416096574 /nfs/dbraw/zinc/09/65/74/416096574.db2.gz FJVPUPUSZOAZOX-UHFFFAOYSA-N 0 0 324.344 0.753 10 30 DCEERN N#Cc1c[nH]c(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000175182215 416099567 /nfs/dbraw/zinc/09/95/67/416099567.db2.gz PEBVHXLTMCHWCN-CYBMUJFWSA-N 0 0 316.361 0.597 10 30 DCEERN Cc1ncc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1C#N ZINC000314671264 416112760 /nfs/dbraw/zinc/11/27/60/416112760.db2.gz JFMUWCNORORJCA-NSHDSACASA-N 0 0 308.363 0.161 10 30 DCEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)c2nccnc2N)cnn1C ZINC000328608932 416123568 /nfs/dbraw/zinc/12/35/68/416123568.db2.gz BSUUTTJUUNTDGC-CMPLNLGQSA-N 0 0 302.338 0.936 10 30 DCEERN CSC[C@H](C)NC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328637785 416125206 /nfs/dbraw/zinc/12/52/06/416125206.db2.gz OVCQRWBQOKDCBO-QWRGUYRKSA-N 0 0 318.443 0.820 10 30 DCEERN O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(Nc2cccnn2)CC1 ZINC000328758252 416131211 /nfs/dbraw/zinc/13/12/11/416131211.db2.gz VQIROOVYSIVAPN-XBXGTLAGSA-N 0 0 319.409 1.570 10 30 DCEERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)CCC#N)c1 ZINC000338829560 416145393 /nfs/dbraw/zinc/14/53/93/416145393.db2.gz LLPJOSVGKPYYAO-UHFFFAOYSA-N 0 0 302.334 0.980 10 30 DCEERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)C1=O ZINC000329052719 416147103 /nfs/dbraw/zinc/14/71/03/416147103.db2.gz LHQFZFKLRKJMKT-QWHCGFSZSA-N 0 0 320.397 0.666 10 30 DCEERN [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329061028 416147202 /nfs/dbraw/zinc/14/72/02/416147202.db2.gz NNANAHBOKBPNRK-OLZOCXBDSA-N 0 0 315.381 0.937 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCCCS1(=O)=O ZINC000329129641 416151536 /nfs/dbraw/zinc/15/15/36/416151536.db2.gz NWOOTRXQTVIXNB-AXFHLTTASA-N 0 0 314.367 0.142 10 30 DCEERN [O-]C(=[NH+][C@@H]1CCc2ncnn2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329145755 416152562 /nfs/dbraw/zinc/15/25/62/416152562.db2.gz WYTRKDQYJHOJFR-NEPJUHHUSA-N 0 0 316.369 0.263 10 30 DCEERN C[C@]1(CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCCC[C@H]1O ZINC000329377431 416167124 /nfs/dbraw/zinc/16/71/24/416167124.db2.gz LZUYLHWCXGZHAN-KYEXWDHISA-N 0 0 323.397 0.663 10 30 DCEERN [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CCCC[C@@H]1CCO ZINC000329508864 416172908 /nfs/dbraw/zinc/17/29/08/416172908.db2.gz MDLSDBDNVUPWNH-FRRDWIJNSA-N 0 0 309.370 0.369 10 30 DCEERN C=CCNC(=O)CNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000346717072 416204544 /nfs/dbraw/zinc/20/45/44/416204544.db2.gz QMEXOBWNNGSNOZ-LLVKDONJSA-N 0 0 305.334 0.428 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000348237344 416234642 /nfs/dbraw/zinc/23/46/42/416234642.db2.gz QTCFQTWCCMRIJF-LBPRGKRZSA-N 0 0 316.361 0.714 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000329269245 416159907 /nfs/dbraw/zinc/15/99/07/416159907.db2.gz GVIMQRAPXMWMJD-ZIAGYGMSSA-N 0 0 321.425 0.673 10 30 DCEERN O=C(NCCN1CCNC(=O)C1)N1CCc2cncnc2C1 ZINC000329350317 416165902 /nfs/dbraw/zinc/16/59/02/416165902.db2.gz SXUWALKFWBDPBA-UHFFFAOYSA-N 0 0 304.354 0.021 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000350008786 416264426 /nfs/dbraw/zinc/26/44/26/416264426.db2.gz ILHZEFTWCVIZPI-LLVKDONJSA-N 0 0 308.359 0.743 10 30 DCEERN C=CC[C@H](CO)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000342175705 416289749 /nfs/dbraw/zinc/28/97/49/416289749.db2.gz FOZOCMLXLLGCEJ-LBPRGKRZSA-N 0 0 306.362 0.726 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c(F)c1 ZINC000534244263 416494654 /nfs/dbraw/zinc/49/46/54/416494654.db2.gz AMFBSWBVFPPKBD-VIFPVBQESA-N 0 0 312.326 0.129 10 30 DCEERN C[C@H](C(=O)N1CC(=O)N(C)c2ccccc21)n1cnc(C#N)n1 ZINC000542483809 416624610 /nfs/dbraw/zinc/62/46/10/416624610.db2.gz IXXDODILQSVKGL-SNVBAGLBSA-N 0 0 310.317 0.720 10 30 DCEERN COc1cc(C#N)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000545297142 416672266 /nfs/dbraw/zinc/67/22/66/416672266.db2.gz BOMNXPKUPVADBV-UHFFFAOYSA-N 0 0 302.250 0.705 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000425906989 416735428 /nfs/dbraw/zinc/73/54/28/416735428.db2.gz ASEXXBDPWNPBMQ-XQLPTFJDSA-N 0 0 323.437 0.492 10 30 DCEERN C=C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623747517 416883530 /nfs/dbraw/zinc/88/35/30/416883530.db2.gz ZLHJSCOHMFLYTB-MNOVXSKESA-N 0 0 301.354 0.577 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000623571311 416843146 /nfs/dbraw/zinc/84/31/46/416843146.db2.gz SBZCUGPSMTWMRD-GFCCVEGCSA-N 0 0 303.428 0.922 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428469872 416902068 /nfs/dbraw/zinc/90/20/68/416902068.db2.gz LPLXPOJPPBVLOA-UHFFFAOYSA-N 0 0 306.414 0.348 10 30 DCEERN C=CCOCCCNC(=O)N1CCN(c2nccnn2)CC1 ZINC000624368148 417017270 /nfs/dbraw/zinc/01/72/70/417017270.db2.gz GHRDIJSDGWDHQG-UHFFFAOYSA-N 0 0 306.370 0.296 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000565828918 417021873 /nfs/dbraw/zinc/02/18/73/417021873.db2.gz MWTXMVDRRRNXRV-AAEUAGOBSA-N 0 0 305.378 0.844 10 30 DCEERN C=C(C)CCNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624153016 416968487 /nfs/dbraw/zinc/96/84/87/416968487.db2.gz RCIJWWKMZSTORC-LBPRGKRZSA-N 0 0 315.381 0.968 10 30 DCEERN C=CCCN(C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632262061 416988971 /nfs/dbraw/zinc/98/89/71/416988971.db2.gz HYRQLOHNZIHMDL-NSHDSACASA-N 0 0 310.441 0.106 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000521214360 416995290 /nfs/dbraw/zinc/99/52/90/416995290.db2.gz IVIVYDNTOQCCJZ-NSHDSACASA-N 0 0 301.346 0.793 10 30 DCEERN C=CCN(C)C(=O)C(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000632382968 417053094 /nfs/dbraw/zinc/05/30/94/417053094.db2.gz OVFBSRLTMUDDMM-UHFFFAOYSA-N 0 0 317.393 0.778 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000566922447 417054846 /nfs/dbraw/zinc/05/48/46/417054846.db2.gz HOHXBIUPMCTVJC-YPMHNXCESA-N 0 0 320.393 1.154 10 30 DCEERN C=CCN(Cc1cccs1)C(=O)CNS(=O)(=O)NC ZINC000448632784 417092234 /nfs/dbraw/zinc/09/22/34/417092234.db2.gz BVVMKDUHQOAZSQ-UHFFFAOYSA-N 0 0 303.409 0.317 10 30 DCEERN C=CCn1c(CC(C)C)nnc1N1CCO[C@@H](CC(N)=O)C1 ZINC000624820509 417120656 /nfs/dbraw/zinc/12/06/56/417120656.db2.gz GDHGHHSIQIKHFT-LBPRGKRZSA-N 0 0 307.398 0.743 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624828031 417122004 /nfs/dbraw/zinc/12/20/04/417122004.db2.gz DIIJZHLFASVSET-GRYCIOLGSA-N 0 0 321.381 0.252 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCn2cnnc2C1 ZINC000632504927 417129638 /nfs/dbraw/zinc/12/96/38/417129638.db2.gz PLGJYENHABYIOF-UHFFFAOYSA-N 0 0 305.382 0.729 10 30 DCEERN C=C(C)CS(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408025813 417131604 /nfs/dbraw/zinc/13/16/04/417131604.db2.gz DRNVRPVELHUDGQ-NEPJUHHUSA-N 0 0 320.386 0.164 10 30 DCEERN C=CCN([C@@H](C)COC)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000632547770 417155877 /nfs/dbraw/zinc/15/58/77/417155877.db2.gz UOLPSLWRZOJMPI-NWDGAFQWSA-N 0 0 304.412 0.460 10 30 DCEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC000617038614 417159934 /nfs/dbraw/zinc/15/99/34/417159934.db2.gz ZQTSLLGWFCAAPT-KGLIPLIRSA-N 0 0 314.451 0.968 10 30 DCEERN C=CCn1c(C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000568962393 417196928 /nfs/dbraw/zinc/19/69/28/417196928.db2.gz PUXKYHQIRCJRRN-NSHDSACASA-N 0 0 316.369 0.304 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000451947798 417420887 /nfs/dbraw/zinc/42/08/87/417420887.db2.gz 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/nfs/dbraw/zinc/95/14/09/664951409.db2.gz ZDTXXMWJNWJRFY-GFCCVEGCSA-N 0 0 309.395 0.089 10 30 DCEERN C[C@@H](Cn1ccnc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732673611 664951432 /nfs/dbraw/zinc/95/14/32/664951432.db2.gz AQCKZVWIGTWVGV-JSGCOSHPSA-N 0 0 302.382 0.653 10 30 DCEERN N#C[C@H]1CN(CN2C(=O)c3ccccc3C2=O)CCN1C1CC1 ZINC000732673191 664951491 /nfs/dbraw/zinc/95/14/91/664951491.db2.gz XGTRHQKEUGMDGD-ZDUSSCGKSA-N 0 0 310.357 0.912 10 30 DCEERN N#C[C@H]1CN(CN2C(=O)CC3(CCCC3)C2=O)CCN1C1CC1 ZINC000732673199 664951493 /nfs/dbraw/zinc/95/14/93/664951493.db2.gz XOBDPNWYDPQOQW-AWEZNQCLSA-N 0 0 316.405 0.935 10 30 DCEERN N#C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)CCN1C1CC1 ZINC000732679345 664952068 /nfs/dbraw/zinc/95/20/68/664952068.db2.gz ZCJSCTYNPRAPEG-OAHLLOKOSA-N 0 0 318.421 0.882 10 30 DCEERN C[C@H]1CN(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 ZINC000732702749 664953199 /nfs/dbraw/zinc/95/31/99/664953199.db2.gz ZHEUGLBDCHCZNR-ZFWWWQNUSA-N 0 0 321.425 0.089 10 30 DCEERN C#CCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000733248120 666358614 /nfs/dbraw/zinc/35/86/14/666358614.db2.gz ZCQOBCVSWYIKSR-UHFFFAOYSA-N 0 0 322.386 0.461 10 30 DCEERN C#CCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000733248354 666358809 /nfs/dbraw/zinc/35/88/09/666358809.db2.gz YFPFGPBCEIBYFQ-UHFFFAOYSA-N 0 0 321.402 0.622 10 30 DCEERN C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)CCC)C(C)C ZINC000700571250 666733399 /nfs/dbraw/zinc/73/33/99/666733399.db2.gz CNPIDVUHALFMNL-QWHCGFSZSA-N 0 0 300.424 0.965 10 30 DCEERN C=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)OCC ZINC000734032858 666837308 /nfs/dbraw/zinc/83/73/08/666837308.db2.gz NIIRWUPVXQCRGJ-UHFFFAOYSA-N 0 0 324.333 0.417 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000702849296 667010970 /nfs/dbraw/zinc/01/09/70/667010970.db2.gz AFLSJOVWPGRJJH-JQWIXIFHSA-N 0 0 319.365 0.988 10 30 DCEERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)C#CC(C)C)C3)C2)n1 ZINC000864683066 667274694 /nfs/dbraw/zinc/27/46/94/667274694.db2.gz IGBXIQWPFLFBSA-LBPRGKRZSA-N 0 0 316.361 0.564 10 30 DCEERN C=CCn1c(C)nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120205494 667280336 /nfs/dbraw/zinc/28/03/36/667280336.db2.gz REJKSBCPYZGRRG-MWLCHTKSSA-N 0 0 311.411 0.441 10 30 DCEERN C#CC1(O)CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000708087090 667441972 /nfs/dbraw/zinc/44/19/72/667441972.db2.gz GDPMZRKTUKHABK-UHFFFAOYSA-N 0 0 303.771 0.222 10 30 DCEERN COC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742177607 667782639 /nfs/dbraw/zinc/78/26/39/667782639.db2.gz KEZXFUYIILYTRC-UHFFFAOYSA-N 0 0 323.374 0.595 10 30 DCEERN C[C@@H](CN1CCCC1=O)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742395214 667790500 /nfs/dbraw/zinc/79/05/00/667790500.db2.gz KYHBLDBCWGGTHO-JTQLQIEISA-N 0 0 322.390 0.628 10 30 DCEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCNC(=O)CC1 ZINC000131136356 669658116 /nfs/dbraw/zinc/65/81/16/669658116.db2.gz MNSIREXGTFKICE-UHFFFAOYSA-N 0 0 310.361 0.905 10 30 DCEERN C#CC[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000079209778 670183585 /nfs/dbraw/zinc/18/35/85/670183585.db2.gz TZTUIORKVDWTEO-GFCCVEGCSA-N 0 0 300.318 0.475 10 30 DCEERN C#CC[C@@H](COC)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000716916614 670275318 /nfs/dbraw/zinc/27/53/18/670275318.db2.gz PPGHERDWFNGROD-WDEREUQCSA-N 0 0 305.421 0.061 10 30 DCEERN C=C(Br)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112746465 670648531 /nfs/dbraw/zinc/64/85/31/670648531.db2.gz DGNXXSVKXWNBRR-MRVPVSSYSA-N 0 0 300.160 0.801 10 30 DCEERN COC[C@@H](O)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000718552505 685305475 /nfs/dbraw/zinc/30/54/75/685305475.db2.gz VPEHIJSQUMXCJM-NSHDSACASA-N 0 0 302.327 0.373 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCSC[C@@H]2CO)c1 ZINC000718543399 685305553 /nfs/dbraw/zinc/30/55/53/685305553.db2.gz YCVXPYSTGLEARL-NSHDSACASA-N 0 0 316.379 0.796 10 30 DCEERN C=CCCOC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C ZINC000156598560 685136385 /nfs/dbraw/zinc/13/63/85/685136385.db2.gz YRHAMRUKRHKNOW-UHFFFAOYSA-N 0 0 317.345 0.928 10 30 DCEERN N#Cc1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c[nH]1 ZINC000181303783 199279284 /nfs/dbraw/zinc/27/92/84/199279284.db2.gz YTJWMXSLVVMIMM-UHFFFAOYSA-N 0 0 322.332 0.286 10 30 DCEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](C#N)C1 ZINC000408446828 529749740 /nfs/dbraw/zinc/74/97/40/529749740.db2.gz RFTYSRQQFHQWHO-QWRGUYRKSA-N 0 0 304.354 0.609 10 30 DCEERN CN1CCO[C@@H]2CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]21 ZINC000408460652 529786879 /nfs/dbraw/zinc/78/68/79/529786879.db2.gz QALHUBVXDNFDSB-NWDGAFQWSA-N 0 0 301.412 0.271 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cnn(CCOC)c1 ZINC000425527582 334958081 /nfs/dbraw/zinc/95/80/81/334958081.db2.gz NHKGOTNNOUILQP-KBPBESRZSA-N 0 0 308.382 0.920 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000157838830 237063570 /nfs/dbraw/zinc/06/35/70/237063570.db2.gz UPHWKACDJMFPAF-JQWIXIFHSA-N 0 0 307.375 0.881 10 30 DCEERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCN1CCO ZINC000188718871 200293239 /nfs/dbraw/zinc/29/32/39/200293239.db2.gz FFDNFTDXUBDJOQ-CYBMUJFWSA-N 0 0 323.418 0.386 10 30 DCEERN CO[C@@H]1CN(C(=O)NCCC2(O)CCOCC2)C[C@H]1OC ZINC000329335955 238611237 /nfs/dbraw/zinc/61/12/37/238611237.db2.gz LODXIZXKEXDNEV-VXGBXAGGSA-N 0 0 302.371 0.178 10 30 DCEERN COc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ncn1 ZINC000359119959 239058576 /nfs/dbraw/zinc/05/85/76/239058576.db2.gz JQMQVNZPYBQBGO-UHFFFAOYSA-N 0 0 303.322 0.576 10 30 DCEERN N#Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000370985689 239180185 /nfs/dbraw/zinc/18/01/85/239180185.db2.gz ONNBIXPFQOOCAR-HNNXBMFYSA-N 0 0 323.356 0.696 10 30 DCEERN N#C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C1CC1 ZINC000373285317 239201446 /nfs/dbraw/zinc/20/14/46/239201446.db2.gz AZGKMIJJIKDZNS-LLVKDONJSA-N 0 0 316.321 0.616 10 30 DCEERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377675983 239240204 /nfs/dbraw/zinc/24/02/04/239240204.db2.gz SHEZULINIUWZCR-ZDUSSCGKSA-N 0 0 323.422 0.398 10 30 DCEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000408339268 239265837 /nfs/dbraw/zinc/26/58/37/239265837.db2.gz OTWPEXJXBVBLRI-SMDDNHRTSA-N 0 0 319.386 0.943 10 30 DCEERN Cn1cc(-c2noc(Cc3cccc(C#N)c3)n2)c(=O)[nH]c1=O ZINC000566658176 291317046 /nfs/dbraw/zinc/31/70/46/291317046.db2.gz OSUPDWQFURXIOL-UHFFFAOYSA-N 0 0 309.285 0.998 10 30 DCEERN C=CCC1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCOCC1 ZINC000424689650 240262780 /nfs/dbraw/zinc/26/27/80/240262780.db2.gz XFUVGWFTRZYZCT-LBPRGKRZSA-N 0 0 316.423 0.639 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000424928746 240271724 /nfs/dbraw/zinc/27/17/24/240271724.db2.gz AEORVEDPKQGNMN-SRVKXCTJSA-N 0 0 318.439 0.658 10 30 DCEERN C=CCNC(=O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)nc1 ZINC000425222811 240320144 /nfs/dbraw/zinc/32/01/44/240320144.db2.gz HLYQAJRFHUCQHQ-LBPRGKRZSA-N 0 0 324.406 0.125 10 30 DCEERN N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)o1 ZINC000091927995 193127828 /nfs/dbraw/zinc/12/78/28/193127828.db2.gz FZHQVBMWDWVJFZ-UHFFFAOYSA-N 0 0 316.361 0.418 10 30 DCEERN C=CCNC(=O)CN[C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000459615108 241058491 /nfs/dbraw/zinc/05/84/91/241058491.db2.gz AIIYLIBCOQBHNQ-OAHLLOKOSA-N 0 0 322.361 0.810 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000329375225 296182105 /nfs/dbraw/zinc/18/21/05/296182105.db2.gz KSOAQSIFSCGXQK-CHWSQXEVSA-N 0 0 324.425 0.940 10 30 DCEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000042267270 183248479 /nfs/dbraw/zinc/24/84/79/183248479.db2.gz IQNAWAPYERNWLR-CYBMUJFWSA-N 0 0 307.375 0.598 10 30 DCEERN C[C@H](C(=O)NC1CC1)N1CCN(c2cnc(C#N)cn2)CC1 ZINC000121058510 132152377 /nfs/dbraw/zinc/15/23/77/132152377.db2.gz JZJAKPPISXHNTB-LLVKDONJSA-N 0 0 300.366 0.137 10 30 DCEERN CCC#CCN1C[C@@H](NC(=O)c2ccc[nH]2)C[C@H]1C(=O)NCC ZINC000096159794 395746546 /nfs/dbraw/zinc/74/65/46/395746546.db2.gz MLWHHTUWLCTCGP-ZFWWWQNUSA-N 0 0 316.405 0.737 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000042541478 395746548 /nfs/dbraw/zinc/74/65/48/395746548.db2.gz NAWQEXNBCKOUIL-LSDHHAIUSA-N 0 0 324.469 0.600 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000195013656 395813325 /nfs/dbraw/zinc/81/33/25/395813325.db2.gz VTTPQVTUSTXTGG-MRXNPFEDSA-N 0 0 312.329 0.681 10 30 DCEERN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000123242970 395892595 /nfs/dbraw/zinc/89/25/95/395892595.db2.gz YGYYSANQVCCDHZ-AWEZNQCLSA-N 0 0 323.418 0.635 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCC(=O)NC)cc1 ZINC000273370935 395916862 /nfs/dbraw/zinc/91/68/62/395916862.db2.gz GCDAUEALDQSCTR-LBPRGKRZSA-N 0 0 307.350 0.870 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000273398731 395918741 /nfs/dbraw/zinc/91/87/41/395918741.db2.gz IDHBAULXMGLGKE-LLVKDONJSA-N 0 0 306.366 0.772 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000273451594 395922548 /nfs/dbraw/zinc/92/25/48/395922548.db2.gz GBBYBINWPGWZNI-UMSGYPCISA-N 0 0 308.378 0.603 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000273486784 395924326 /nfs/dbraw/zinc/92/43/26/395924326.db2.gz NIMSOIQFWFMCMV-BLLLJJGKSA-N 0 0 317.345 0.408 10 30 DCEERN C=CC[C@H](CO)NC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000273486940 395924373 /nfs/dbraw/zinc/92/43/73/395924373.db2.gz NMDRQKIUYXAHIO-SNVBAGLBSA-N 0 0 313.379 0.708 10 30 DCEERN C=CC[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)CC=C)CCC1 ZINC000273617782 395933607 /nfs/dbraw/zinc/93/36/07/395933607.db2.gz XZQXDNIEABXHKD-CHWSQXEVSA-N 0 0 310.394 0.263 10 30 DCEERN COC(=O)[C@H](NC[C@H]1CN(C)CCO1)c1cccc(C#N)c1 ZINC000246637796 395954863 /nfs/dbraw/zinc/95/48/63/395954863.db2.gz ZVPVDOHYNXIJQH-LSDHHAIUSA-N 0 0 303.362 0.693 10 30 DCEERN CS(=O)(=O)OCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000144751879 395963146 /nfs/dbraw/zinc/96/31/46/395963146.db2.gz PHYSFOQPODFEIM-UHFFFAOYSA-N 0 0 306.252 0.858 10 30 DCEERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000159139485 396066178 /nfs/dbraw/zinc/06/61/78/396066178.db2.gz YLTHACYTZSIODA-AWEZNQCLSA-N 0 0 316.361 0.857 10 30 DCEERN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000171110010 396107261 /nfs/dbraw/zinc/10/72/61/396107261.db2.gz VWNZPBYWBYHOPJ-BXUZGUMPSA-N 0 0 301.346 0.972 10 30 DCEERN C=CCNC(=O)CNC(=O)NCCCc1c(C)nn(C)c1C ZINC000180871232 396235570 /nfs/dbraw/zinc/23/55/70/396235570.db2.gz NDNJXDVINJYLAB-UHFFFAOYSA-N 0 0 307.398 0.571 10 30 DCEERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)C#N)ncn1 ZINC000182693135 396252551 /nfs/dbraw/zinc/25/25/51/396252551.db2.gz XNYCGYVRFBUHQA-NEPJUHHUSA-N 0 0 317.397 0.946 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000183187452 396264566 /nfs/dbraw/zinc/26/45/66/396264566.db2.gz OLVBONVMWXFRTR-LLVKDONJSA-N 0 0 315.333 0.259 10 30 DCEERN CCC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)OC(C)(C)C ZINC000184986247 396313120 /nfs/dbraw/zinc/31/31/20/396313120.db2.gz LCGUVWAZFUBKGT-JTQLQIEISA-N 0 0 307.354 0.776 10 30 DCEERN N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC2CCC2)cn1 ZINC000185509970 396329350 /nfs/dbraw/zinc/32/93/50/396329350.db2.gz RFUNZHOPGATJAN-UHFFFAOYSA-N 0 0 324.344 0.994 10 30 DCEERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000190987912 396414026 /nfs/dbraw/zinc/41/40/26/396414026.db2.gz XMUNIOHSZRYXTB-LLVKDONJSA-N 0 0 307.375 0.598 10 30 DCEERN N#Cc1ncccc1S(=O)(=O)NCCO[C@@H]1CC1(F)F ZINC000594840100 396526005 /nfs/dbraw/zinc/52/60/05/396526005.db2.gz LEUZGYVBJRYHMA-SNVBAGLBSA-N 0 0 303.290 0.656 10 30 DCEERN C=CCOCCCNC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000595163404 396559646 /nfs/dbraw/zinc/55/96/46/396559646.db2.gz LEBWNXDDHGFTSH-UHFFFAOYSA-N 0 0 302.334 0.909 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCOc2ccc(O)cc2C1 ZINC000595856620 396670857 /nfs/dbraw/zinc/67/08/57/396670857.db2.gz KUJOGIAKEDWJJX-LLVKDONJSA-N 0 0 319.361 0.987 10 30 DCEERN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1nc(N(C)C)no1 ZINC000596041184 396711422 /nfs/dbraw/zinc/71/14/22/396711422.db2.gz IFLBVADNSNGCBT-NRFANRHFSA-N 0 0 314.411 0.809 10 30 DCEERN C=C[C@@](C)(CCOC)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000617706996 396781138 /nfs/dbraw/zinc/78/11/38/396781138.db2.gz AMNNMHKBJMQFDN-LSDHHAIUSA-N 0 0 301.383 0.499 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]23C[C@@H]2CCCC3)C1=O ZINC000634082868 396786706 /nfs/dbraw/zinc/78/67/06/396786706.db2.gz ZYWCUKKOXCBFMQ-BONVTDFDSA-N 0 0 305.334 0.412 10 30 DCEERN C=C(C)Cn1c(-c2cc[nH]n2)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624977278 396739504 /nfs/dbraw/zinc/73/95/04/396739504.db2.gz DGBYMRKSGLZFAH-PHIMTYICSA-N 0 0 315.381 0.944 10 30 DCEERN CC1CC(C#N)(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000610713761 396754720 /nfs/dbraw/zinc/75/47/20/396754720.db2.gz YZSNIXPWYONDAX-ULKWEWGCSA-N 0 0 305.378 0.822 10 30 DCEERN N#CCCN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000611176044 396828351 /nfs/dbraw/zinc/82/83/51/396828351.db2.gz SKVGYYKJUXZHDQ-UHFFFAOYSA-N 0 0 316.361 0.885 10 30 DCEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)C1 ZINC000625351294 396843352 /nfs/dbraw/zinc/84/33/52/396843352.db2.gz UNLZPJGHDNHAKP-NSHDSACASA-N 0 0 311.407 0.971 10 30 DCEERN C=C[C@H](O)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000597039612 396878292 /nfs/dbraw/zinc/87/82/92/396878292.db2.gz 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C=CCN1CC[C@@H](N2CCC[C@@H](CS(=O)(=O)NC)C2)C1=O ZINC000626167582 397100272 /nfs/dbraw/zinc/10/02/72/397100272.db2.gz YEWFSAKVCMDPAV-CHWSQXEVSA-N 0 0 315.439 0.035 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000612442935 397056783 /nfs/dbraw/zinc/05/67/83/397056783.db2.gz YUDCJMZVZQGMBI-CMPLNLGQSA-N 0 0 304.412 0.397 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N([C@H](CC)CNS(C)(=O)=O)C1=O ZINC000630981779 397151699 /nfs/dbraw/zinc/15/16/99/397151699.db2.gz GZPUBECLQOCQSH-NXEZZACHSA-N 0 0 303.384 0.201 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)OC ZINC000601502570 397154565 /nfs/dbraw/zinc/15/45/65/397154565.db2.gz QHIIPFODXCFESP-VIFPVBQESA-N 0 0 321.786 0.860 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)OC ZINC000601501633 397154813 /nfs/dbraw/zinc/15/48/13/397154813.db2.gz OJUIYZXJIJLLCG-LLVKDONJSA-N 0 0 304.412 0.508 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)OC ZINC000601502699 397155097 /nfs/dbraw/zinc/15/50/97/397155097.db2.gz 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C=CCNC(=O)CNC(=O)CCc1cc(OC)c(O)c(OC)c1 ZINC000613293282 397238974 /nfs/dbraw/zinc/23/89/74/397238974.db2.gz SGRZYABGJYIYSP-UHFFFAOYSA-N 0 0 322.361 0.760 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)OC ZINC000601772190 397242087 /nfs/dbraw/zinc/24/20/87/397242087.db2.gz NUXCTORHVSJKFH-GFCCVEGCSA-N 0 0 312.366 0.249 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)OC ZINC000601785602 397243994 /nfs/dbraw/zinc/24/39/94/397243994.db2.gz LVPILUVBGVZKRC-NXEZZACHSA-N 0 0 312.395 0.920 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC)C(=O)OC ZINC000601784818 397244002 /nfs/dbraw/zinc/24/40/02/397244002.db2.gz HJRMZAACLFMPID-GHMZBOCLSA-N 0 0 314.407 0.922 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1cn(C2CCOCC2)nn1)C(=O)OC ZINC000601782920 397244204 /nfs/dbraw/zinc/24/42/04/397244204.db2.gz SFUWCGXNBDQBND-GFCCVEGCSA-N 0 0 322.365 0.867 10 30 DCEERN Cc1nnsc1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000384163574 397279632 /nfs/dbraw/zinc/27/96/32/397279632.db2.gz SCPLFNSAVUSTEI-UHFFFAOYSA-N 0 0 309.376 0.900 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000602278844 397360617 /nfs/dbraw/zinc/36/06/17/397360617.db2.gz GKFWYOAIYFWPQG-FQEVSTJZSA-N 0 0 300.424 0.732 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)OC)C1 ZINC000599216402 397366676 /nfs/dbraw/zinc/36/66/76/397366676.db2.gz NVXSRGWFQJSVHJ-LBPRGKRZSA-N 0 0 311.382 0.663 10 30 DCEERN C=CCN([C@@H](C)COC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599339499 397413909 /nfs/dbraw/zinc/41/39/09/397413909.db2.gz QTJQHEFOPFTPNV-VIFPVBQESA-N 0 0 318.355 0.540 10 30 DCEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)ccc1F ZINC000599492705 397458103 /nfs/dbraw/zinc/45/81/03/397458103.db2.gz CMEDZQSDRVMLIQ-RYUDHWBXSA-N 0 0 300.311 0.125 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC1(C#N)CC1 ZINC000579427553 397566083 /nfs/dbraw/zinc/56/60/83/397566083.db2.gz UVRJUAIOKDXNDE-ZJUUUORDSA-N 0 0 310.354 0.046 10 30 DCEERN C=CCN1CC[C@@H](N2CCCC[C@@]2(COC)C(=O)OC)C1=O ZINC000602909551 397521092 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CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000408164380 160051019 /nfs/dbraw/zinc/05/10/19/160051019.db2.gz HXPSKEURHWUPSI-LBPRGKRZSA-N 0 0 307.375 0.993 10 30 DCEERN C[C@H](CCNS(=O)(=O)c1ccccc1C#N)[S@@](C)=O ZINC000127127276 286975856 /nfs/dbraw/zinc/97/58/56/286975856.db2.gz AGXHWMIYTJHTPA-MGNBDDOMSA-N 0 0 300.405 0.994 10 30 DCEERN CN1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)CCC1=O ZINC000136386791 287026406 /nfs/dbraw/zinc/02/64/06/287026406.db2.gz IZBHQKQOSINGSR-SNVBAGLBSA-N 0 0 318.308 0.373 10 30 DCEERN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCOC1 ZINC000246970240 287089613 /nfs/dbraw/zinc/08/96/13/287089613.db2.gz GBJQGPRNOLXZQX-NEPJUHHUSA-N 0 0 301.350 0.422 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NC)nn1 ZINC000622890532 412269275 /nfs/dbraw/zinc/26/92/75/412269275.db2.gz KFQNMZRYRGKENA-NSHDSACASA-N 0 0 305.338 0.246 10 30 DCEERN C=CCN1CC[C@@H](N2CCC[C@H](S(=O)(=O)N(C)C)C2)C1=O ZINC000352542994 415214710 /nfs/dbraw/zinc/21/47/10/415214710.db2.gz AUOQYVLVIBXLPB-QWHCGFSZSA-N 0 0 315.439 0.129 10 30 DCEERN C=CCCS(=O)(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000352633571 415258164 /nfs/dbraw/zinc/25/81/64/415258164.db2.gz PQDAOVGNHROANT-NSHDSACASA-N 0 0 310.441 0.296 10 30 DCEERN CN(CC(N)=O)C[C@H]1CN(c2ncc(C#N)cc2Cl)CCO1 ZINC000275571541 415375097 /nfs/dbraw/zinc/37/50/97/415375097.db2.gz GWSWKLJIPNSAGB-NSHDSACASA-N 0 0 323.784 0.229 10 30 DCEERN C=CCCO[C@H](C)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000343194823 415496564 /nfs/dbraw/zinc/49/65/64/415496564.db2.gz ZEDHZUIDVPDHCE-CHWSQXEVSA-N 0 0 318.439 0.898 10 30 DCEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000074674826 415434938 /nfs/dbraw/zinc/43/49/38/415434938.db2.gz DRTTWVOWEMKPRJ-MFKMUULPSA-N 0 0 305.382 0.902 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CCCS1(=O)=O ZINC000285796938 415621999 /nfs/dbraw/zinc/62/19/99/415621999.db2.gz MOSGOMYMSSFEHO-HNNXBMFYSA-N 0 0 320.414 0.773 10 30 DCEERN C#CCC(CC#C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000287437179 415668494 /nfs/dbraw/zinc/66/84/94/415668494.db2.gz VYYALVHDFWEKCF-UHFFFAOYSA-N 0 0 318.398 0.874 10 30 DCEERN C=CCCS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000119460445 415746867 /nfs/dbraw/zinc/74/68/67/415746867.db2.gz JWJUTPXNLUBWPH-UHFFFAOYSA-N 0 0 306.391 0.981 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC1(CO)CC1 ZINC000292280386 415842622 /nfs/dbraw/zinc/84/26/22/415842622.db2.gz ICEXESJIFMUTOZ-QWHCGFSZSA-N 0 0 310.394 0.315 10 30 DCEERN N#Cc1cc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)c[nH]1 ZINC000354698880 415814508 /nfs/dbraw/zinc/81/45/08/415814508.db2.gz FXVFRPJFAUIOOU-LBPRGKRZSA-N 0 0 321.344 1.256 10 30 DCEERN N#Cc1ccc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)nc1 ZINC000344245614 415873629 /nfs/dbraw/zinc/87/36/29/415873629.db2.gz GLJHCMOEWDOFGE-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000337066900 415901544 /nfs/dbraw/zinc/90/15/44/415901544.db2.gz KLALPPWEFQCCJP-LBPRGKRZSA-N 0 0 301.346 0.758 10 30 DCEERN CC#CCN(C)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000344175867 415859224 /nfs/dbraw/zinc/85/92/24/415859224.db2.gz RJKUJWANIJOKEE-UHFFFAOYSA-N 0 0 313.317 0.082 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCC([C@H](C)O)CC1 ZINC000355295323 415860537 /nfs/dbraw/zinc/86/05/37/415860537.db2.gz YLRDDLXRNBJIHD-NSHDSACASA-N 0 0 300.424 0.641 10 30 DCEERN C#Cc1ccc(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000296916996 415939881 /nfs/dbraw/zinc/93/98/81/415939881.db2.gz PIHJVESDGYUDFN-AWEZNQCLSA-N 0 0 306.387 0.996 10 30 DCEERN C[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000136147293 415960068 /nfs/dbraw/zinc/96/00/68/415960068.db2.gz ZAPIAKZACIJQSF-ZDUSSCGKSA-N 0 0 316.357 0.604 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000297612971 415965629 /nfs/dbraw/zinc/96/56/29/415965629.db2.gz VGZKPKNFLVHFCW-MRXNPFEDSA-N 0 0 308.378 0.595 10 30 DCEERN C[C@H](C(=O)N(C)CCC#N)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155119110 415993266 /nfs/dbraw/zinc/99/32/66/415993266.db2.gz RKZUTAAVSFPYTL-LLVKDONJSA-N 0 0 301.412 0.256 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000337271072 415936051 /nfs/dbraw/zinc/93/60/51/415936051.db2.gz ARKBLKJURFDZOZ-LBPRGKRZSA-N 0 0 319.361 0.661 10 30 DCEERN C=C[C@@H](C)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000345261547 416068827 /nfs/dbraw/zinc/06/88/27/416068827.db2.gz VZIYSCNRYDRYOL-GHMZBOCLSA-N 0 0 304.416 0.131 10 30 DCEERN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171706117 416039613 /nfs/dbraw/zinc/03/96/13/416039613.db2.gz TYXJMOXAYXMSMA-CQSZACIVSA-N 0 0 315.381 0.571 10 30 DCEERN N#Cc1c(Cl)nsc1NC[C@H](O)CN1CCOCC1 ZINC000301713866 416090011 /nfs/dbraw/zinc/09/00/11/416090011.db2.gz FVMCKHCLTYEENQ-QMMMGPOBSA-N 0 0 302.787 0.773 10 30 DCEERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C#N)cn3C)CCO2)c1 ZINC000176061565 416117998 /nfs/dbraw/zinc/11/79/98/416117998.db2.gz DIAXVEVDDVXDGB-AWEZNQCLSA-N 0 0 313.361 0.943 10 30 DCEERN C=CCNC(=O)NC(=O)CN(C)Cc1nc([C@@H](C)OC)no1 ZINC000357709456 416118756 /nfs/dbraw/zinc/11/87/56/416118756.db2.gz NWYMNKZAKWVGEZ-SECBINFHSA-N 0 0 311.342 0.221 10 30 DCEERN CC(C)CCn1cc(C(=O)N[C@H]2COC[C@H]2n2ccnn2)nn1 ZINC000329073344 416148515 /nfs/dbraw/zinc/14/85/15/416148515.db2.gz AWCOILDKQIDEMM-QWHCGFSZSA-N 0 0 319.369 0.860 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178625060 416168229 /nfs/dbraw/zinc/16/82/29/416168229.db2.gz RQKLPNIKPJIBPM-UKRRQHHQSA-N 0 0 314.389 0.442 10 30 DCEERN CC[C@]1(C)CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329413978 416168701 /nfs/dbraw/zinc/16/87/01/416168701.db2.gz CSAHAYBPJSJIQC-OUCADQQQSA-N 0 0 309.370 0.633 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000329452096 416171954 /nfs/dbraw/zinc/17/19/54/416171954.db2.gz LSWNGTMITGHGMJ-DGAVXFQQSA-N 0 0 321.381 0.775 10 30 DCEERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(C)C ZINC000178929402 416177638 /nfs/dbraw/zinc/17/76/38/416177638.db2.gz GQRBFPKEAUMPGE-ZDUSSCGKSA-N 0 0 309.391 0.916 10 30 DCEERN COC[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC(C)(C)O1 ZINC000330550918 416215119 /nfs/dbraw/zinc/21/51/19/416215119.db2.gz CGHZFZKPQWQRRU-CYBMUJFWSA-N 0 0 318.377 1.018 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000350011679 416263955 /nfs/dbraw/zinc/26/39/55/416263955.db2.gz NAYHPAOLFAJUNC-VIFPVBQESA-N 0 0 317.363 0.844 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000350008790 416264203 /nfs/dbraw/zinc/26/42/03/416264203.db2.gz ILHZEFTWCVIZPI-NSHDSACASA-N 0 0 308.359 0.743 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC000350724386 416270242 /nfs/dbraw/zinc/27/02/42/416270242.db2.gz ZTNUCURVOLJWDM-NWDGAFQWSA-N 0 0 321.381 0.219 10 30 DCEERN C[C@H]1CCNC(=O)[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000193573499 416317483 /nfs/dbraw/zinc/31/74/83/416317483.db2.gz GVIDQPYZZJJNQC-SMDDNHRTSA-N 0 0 321.402 0.446 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000351594552 416280107 /nfs/dbraw/zinc/28/01/07/416280107.db2.gz DKVNRFQEHVKIRV-LLVKDONJSA-N 0 0 306.366 0.667 10 30 DCEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000416655757 416376135 /nfs/dbraw/zinc/37/61/35/416376135.db2.gz DIOLZVMWUIILPR-JNSHFYNHSA-N 0 0 324.402 0.794 10 30 DCEERN CN(Cc1nnnn1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000533345515 416486770 /nfs/dbraw/zinc/48/67/70/416486770.db2.gz SZBYXVBAGBSGPI-SNVBAGLBSA-N 0 0 317.378 0.381 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)OCC)n[nH]1 ZINC000597480147 416594757 /nfs/dbraw/zinc/59/47/57/416594757.db2.gz MFLFGDGAPBYJPL-JTQLQIEISA-N 0 0 308.338 0.996 10 30 DCEERN CC(C)(C)n1cnc(NC(=O)C(=O)N(CCC#N)CC2CC2)n1 ZINC000439321255 416609221 /nfs/dbraw/zinc/60/92/21/416609221.db2.gz FRMHWJMRPPHHEJ-UHFFFAOYSA-N 0 0 318.381 1.124 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000614719066 416696435 /nfs/dbraw/zinc/69/64/35/416696435.db2.gz VOWOLXNAOIATHV-IMJJTQAJSA-N 0 0 323.437 0.779 10 30 DCEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000614722684 416696452 /nfs/dbraw/zinc/69/64/52/416696452.db2.gz UJHCPBFPUCXXFY-CYBMUJFWSA-N 0 0 307.350 0.700 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000614732131 416697975 /nfs/dbraw/zinc/69/79/75/416697975.db2.gz XEFZNZVMXCNIEN-JQWIXIFHSA-N 0 0 316.423 0.539 10 30 DCEERN N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCN1C1CC1 ZINC000369221859 416734914 /nfs/dbraw/zinc/73/49/14/416734914.db2.gz SVFOPMBZFKLHPJ-LLVKDONJSA-N 0 0 317.305 0.508 10 30 DCEERN C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCCO1)n1cnc(C#N)n1 ZINC000517192060 416785397 /nfs/dbraw/zinc/78/53/97/416785397.db2.gz BRMNBEWTAFJAGJ-IJLUTSLNSA-N 0 0 305.338 0.117 10 30 DCEERN C=CCc1cc(C(=O)N2CC(O)(CO)C2)cc(OC)c1OC ZINC000615418701 416824666 /nfs/dbraw/zinc/82/46/66/416824666.db2.gz CECVFMWHWHVVRR-UHFFFAOYSA-N 0 0 307.346 0.612 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NC2CCN(CC(=O)NC)CC2)C1 ZINC000623417810 416820422 /nfs/dbraw/zinc/82/04/22/416820422.db2.gz QMKGPGJCDFCBJS-ZDUSSCGKSA-N 0 0 308.426 0.804 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000370805806 416904525 /nfs/dbraw/zinc/90/45/25/416904525.db2.gz JQBKETDOHIGMSQ-LBPRGKRZSA-N 0 0 317.418 1.553 10 30 DCEERN C=C(C)CNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623908758 416918769 /nfs/dbraw/zinc/91/87/69/416918769.db2.gz OSMVLKFFXVYPOS-NSHDSACASA-N 0 0 301.354 0.578 10 30 DCEERN C=CCCCNC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000623964359 416930553 /nfs/dbraw/zinc/93/05/53/416930553.db2.gz DRQCJRHDAHWGJX-GFCCVEGCSA-N 0 0 303.428 0.923 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000375186331 416998285 /nfs/dbraw/zinc/99/82/85/416998285.db2.gz HTPJGPSCZGYNHM-LLVKDONJSA-N 0 0 308.407 0.898 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000632301004 417013346 /nfs/dbraw/zinc/01/33/46/417013346.db2.gz JWVURAKVKNRWII-SCRDCRAPSA-N 0 0 316.423 0.508 10 30 DCEERN C=C[C@@H](O)C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC ZINC000616450786 417053027 /nfs/dbraw/zinc/05/30/27/417053027.db2.gz PEVPJYJJCRSIPE-DGCLKSJQSA-N 0 0 324.352 0.402 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000568241309 417107319 /nfs/dbraw/zinc/10/73/19/417107319.db2.gz HYPLNYYUACFCIT-UONOGXRCSA-N 0 0 312.410 0.847 10 30 DCEERN C=CCn1c(C2CC2)nnc1N1CCN(c2nccnn2)CC1 ZINC000624810416 417120716 /nfs/dbraw/zinc/12/07/16/417120716.db2.gz FOULQCYBELNBJJ-UHFFFAOYSA-N 0 0 312.381 0.853 10 30 DCEERN C=CCn1c(CC2CC2)nnc1N1CCO[C@@H](CC(N)=O)C1 ZINC000624825889 417121630 /nfs/dbraw/zinc/12/16/30/417121630.db2.gz DCNGMCHUXSRHGZ-LBPRGKRZSA-N 0 0 305.382 0.497 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000408113979 417139662 /nfs/dbraw/zinc/13/96/62/417139662.db2.gz ZWAZSCPKTMFVEJ-YZUGKSJVSA-N 0 0 321.377 0.605 10 30 DCEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC000617043680 417160248 /nfs/dbraw/zinc/16/02/48/417160248.db2.gz CTJOLTHHVBWKBU-RYUDHWBXSA-N 0 0 303.428 0.634 10 30 DCEERN C=C[C@H](O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000617166495 417177314 /nfs/dbraw/zinc/17/73/14/417177314.db2.gz PDRGYLDMZQTCPZ-ZDUSSCGKSA-N 0 0 310.375 0.708 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000632662776 417219867 /nfs/dbraw/zinc/21/98/67/417219867.db2.gz KKKXOLFYDZFTMB-CYBMUJFWSA-N 0 0 312.410 0.969 10 30 DCEERN C=CCn1c([C@@H](C)CC)nnc1N1CCN(CC(N)=O)C(=O)C1 ZINC000414532080 417283355 /nfs/dbraw/zinc/28/33/55/417283355.db2.gz UGUJTFHIOJECER-NSHDSACASA-N 0 0 320.397 0.112 10 30 DCEERN CCOC(=O)[C@H]1CN(CC(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451127722 417303607 /nfs/dbraw/zinc/30/36/07/417303607.db2.gz APDXNCXBPLSXTH-GFCCVEGCSA-N 0 0 321.377 0.060 10 30 DCEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnc(COC)n2)C1 ZINC000627733317 417493092 /nfs/dbraw/zinc/49/30/92/417493092.db2.gz RAEHFVXPTDIGKB-NSHDSACASA-N 0 0 304.350 0.986 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529502342 417471860 /nfs/dbraw/zinc/47/18/60/417471860.db2.gz LVTDRVGTMWDENJ-AVGNSLFASA-N 0 0 316.423 0.365 10 30 DCEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1 ZINC000453884713 417534999 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527816531 /nfs/dbraw/zinc/81/65/31/527816531.db2.gz VTQFXAKLEJBZNE-BDAKNGLRSA-N 0 0 307.441 0.547 10 30 DCEERN CC(C)OCCS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371873186 527986941 /nfs/dbraw/zinc/98/69/41/527986941.db2.gz ROSOSSGYSFFIBQ-ZDUSSCGKSA-N 0 0 301.412 0.413 10 30 DCEERN CC(C)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)nn1C ZINC000288178495 528020627 /nfs/dbraw/zinc/02/06/27/528020627.db2.gz QXVQTZOBWCAJNG-UHFFFAOYSA-N 0 0 303.366 0.742 10 30 DCEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041928 528850895 /nfs/dbraw/zinc/85/08/95/528850895.db2.gz IYMBFTDBHQSFNP-TYNCELHUSA-N 0 0 307.398 0.139 10 30 DCEERN Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000328731112 546039441 /nfs/dbraw/zinc/03/94/41/546039441.db2.gz IJNAYTSBMMWFPL-SNVBAGLBSA-N 0 0 313.379 0.824 10 30 DCEERN Cn1cc([C@H]2CCN(C(=O)NCCN3C(=O)CCC3=O)C2)cn1 ZINC000329335770 546046167 /nfs/dbraw/zinc/04/61/67/546046167.db2.gz OSESIZMTCXOJGH-NSHDSACASA-N 0 0 319.365 0.272 10 30 DCEERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C(=O)N1CCOCC1 ZINC000329494788 546049989 /nfs/dbraw/zinc/04/99/89/546049989.db2.gz FMLWNKLTJMRMLA-WUHRBBMRSA-N 0 0 312.366 0.242 10 30 DCEERN C[C@@H](C(=O)Nc1cnn(-c2ncccn2)c1)N1CCN(C)CC1 ZINC000329680786 546053533 /nfs/dbraw/zinc/05/35/33/546053533.db2.gz ROHUXDUSQRLSRP-LBPRGKRZSA-N 0 0 315.381 0.886 10 30 DCEERN N#Cc1nccn1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000179864364 665406541 /nfs/dbraw/zinc/40/65/41/665406541.db2.gz UGCJHZCPRYYZCV-UHFFFAOYSA-N 0 0 318.300 0.551 10 30 DCEERN C#CCCCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181379853 659185977 /nfs/dbraw/zinc/18/59/77/659185977.db2.gz TYDMMFZSVZJEKT-UHFFFAOYSA-N 0 0 311.407 0.809 10 30 DCEERN C#CCCS(=O)(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000297116368 659414498 /nfs/dbraw/zinc/41/44/98/659414498.db2.gz PJVZMWXAAJTPDC-UHFFFAOYSA-N 0 0 312.782 0.868 10 30 DCEERN C#CCN(C(=O)CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000729335396 662788723 /nfs/dbraw/zinc/78/87/23/662788723.db2.gz NSDJQJGPFPXFOX-ZDUSSCGKSA-N 0 0 309.391 0.312 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(N)c2)CC1 ZINC000322085398 662881333 /nfs/dbraw/zinc/88/13/33/662881333.db2.gz IOEDIWXJAYNBGM-UHFFFAOYSA-N 0 0 320.368 0.468 10 30 DCEERN C=CCCC(=O)[C@H]1CCCN1C(=O)CN1CCCC[C@@H](O)C1=O ZINC000908669334 663765418 /nfs/dbraw/zinc/76/54/18/663765418.db2.gz PNKMLXAAFYDNCD-UKRRQHHQSA-N 0 0 322.405 0.886 10 30 DCEERN COC(=O)[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000156713865 664383727 /nfs/dbraw/zinc/38/37/27/664383727.db2.gz AKPNCWZXYAQKBD-UGFHNGPFSA-N 0 0 304.346 0.854 10 30 DCEERN C#CCCCNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000173320914 664628233 /nfs/dbraw/zinc/62/82/33/664628233.db2.gz ZDHYXMJJHJLZBK-ZIAGYGMSSA-N 0 0 321.333 0.702 10 30 DCEERN C#CCN1CCN(C(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000730294490 664678925 /nfs/dbraw/zinc/67/89/25/664678925.db2.gz YDEUPEDACPMDPG-ZIAGYGMSSA-N 0 0 323.462 0.711 10 30 DCEERN N#C[C@@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)CCN1C1CC1 ZINC000732665218 664950457 /nfs/dbraw/zinc/95/04/57/664950457.db2.gz ZXLQMBNMXVQJPY-IUODEOHRSA-N 0 0 320.418 0.251 10 30 DCEERN C#C[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000185292730 666400576 /nfs/dbraw/zinc/40/05/76/666400576.db2.gz UHCIDRKZCAQITD-VIFPVBQESA-N 0 0 323.312 0.840 10 30 DCEERN C=C(COC(=O)CCN1C(=O)NC(C)(C)C1=O)C(=O)OCC ZINC000734027647 666836876 /nfs/dbraw/zinc/83/68/76/666836876.db2.gz ODWPTLBYWNNWIM-UHFFFAOYSA-N 0 0 312.322 0.369 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](O)c1ccco1 ZINC000742176266 667782318 /nfs/dbraw/zinc/78/23/18/667782318.db2.gz BEDFHEIACUWBFR-LBPRGKRZSA-N 0 0 307.331 0.944 10 30 DCEERN CN(CC(=O)N1CCCC1)c1ccc(S(N)(=O)=O)cc1C#N ZINC000742174704 667782411 /nfs/dbraw/zinc/78/24/11/667782411.db2.gz ICJWPZKMVMDQGB-UHFFFAOYSA-N 0 0 322.390 0.264 10 30 DCEERN C=CCNC(=O)[C@H](C)OC(=O)Cn1cnc2ccccc2c1=O ZINC000007169446 668154210 /nfs/dbraw/zinc/15/42/10/668154210.db2.gz MCRUPMJUMFLPKL-NSHDSACASA-N 0 0 315.329 0.630 10 30 DCEERN CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720035127 685312006 /nfs/dbraw/zinc/31/20/06/685312006.db2.gz DAYDPFSGIRYCLY-UHFFFAOYSA-N 0 0 320.367 0.362 10 30 DCEERN CO[C@@]1(CNC(=O)C2(C#N)CCCC2)CCS(=O)(=O)C1 ZINC000720860003 685316227 /nfs/dbraw/zinc/31/62/27/685316227.db2.gz CVUAHRAHLLDBJM-CYBMUJFWSA-N 0 0 300.380 0.390 10 30 DCEERN CO[C@]1(CNc2snc(C)c2C#N)CCS(=O)(=O)C1 ZINC000720880364 685316680 /nfs/dbraw/zinc/31/66/80/685316680.db2.gz PJIFPEQXSROKAH-NSHDSACASA-N 0 0 301.393 0.939 10 30 DCEERN C#CC[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)C ZINC000177720061 685149530 /nfs/dbraw/zinc/14/95/30/685149530.db2.gz WCKFRCQXMGPIIP-GFCCVEGCSA-N 0 0 302.334 0.721 10 30 DCEERN C#CCN(C(=O)c1c(N)ccc(F)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000398815161 1157369276 /nfs/dbraw/zinc/36/92/76/1157369276.db2.gz XZDBYUMHNLPKGK-LLVKDONJSA-N 0 0 324.377 0.979 10 30 DCEERN C=CCN(C(=O)Cc1cccc(OC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000338812241 1158839396 /nfs/dbraw/zinc/83/93/96/1158839396.db2.gz MQGIJDUJFPIVGU-ZDUSSCGKSA-N 0 0 324.402 0.834 10 30 DCEERN C=CCN(CC=C)C(=O)CSC[C@H](NC(C)=O)C(=O)OC ZINC000283802310 749611768 /nfs/dbraw/zinc/61/17/68/749611768.db2.gz HFAMLNUPXFPVSP-LBPRGKRZSA-N 0 0 314.407 0.598 10 30 DCEERN C=CCCOCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907693 774140397 /nfs/dbraw/zinc/14/03/97/774140397.db2.gz STRTXJMHHDRHEK-UHFFFAOYSA-N 0 0 312.391 0.995 10 30 DCEERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(C#N)CCOCC1)CC2 ZINC000172257864 529750778 /nfs/dbraw/zinc/75/07/78/529750778.db2.gz FXYYIQIUSKOLOZ-NSHDSACASA-N 0 0 303.366 0.592 10 30 DCEERN CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000274525641 530033903 /nfs/dbraw/zinc/03/39/03/530033903.db2.gz QCBHHMDKQGSSTB-CQSZACIVSA-N 0 0 324.358 0.761 10 30 DCEERN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173689671 198241019 /nfs/dbraw/zinc/24/10/19/198241019.db2.gz YCBFWJVQIZDICU-AWEZNQCLSA-N 0 0 324.344 0.952 10 30 DCEERN Cn1cc([C@@H]2NC(=O)[C@@H]3COCCN23)c(-c2ccc(C#N)cc2)n1 ZINC000182074891 199383022 /nfs/dbraw/zinc/38/30/22/199383022.db2.gz 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/nfs/dbraw/zinc/60/61/80/238606180.db2.gz FZNYTAUBVKVRGI-LBPRGKRZSA-N 0 0 314.349 0.659 10 30 DCEERN O=C(Cn1cccnc1=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000329284127 238606514 /nfs/dbraw/zinc/60/65/14/238606514.db2.gz FZNYTAUBVKVRGI-GFCCVEGCSA-N 0 0 314.349 0.659 10 30 DCEERN Cn1cc(N2CC[C@@H](NC(=O)NCC3(C)COC3)C2=O)cn1 ZINC000329578765 238636131 /nfs/dbraw/zinc/63/61/31/238636131.db2.gz TZQXOCSLFZIQOZ-LLVKDONJSA-N 0 0 307.354 0.066 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCCn2cccn2)CCN1C1CC1 ZINC000369233392 239165289 /nfs/dbraw/zinc/16/52/89/239165289.db2.gz ZVOFVAITDXGHIW-AWEZNQCLSA-N 0 0 302.382 0.655 10 30 DCEERN Cn1cc(CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000369229181 239166034 /nfs/dbraw/zinc/16/60/34/239166034.db2.gz DOCPKFCLKVZRDU-OAHLLOKOSA-N 0 0 316.409 0.734 10 30 DCEERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370973910 239180395 /nfs/dbraw/zinc/18/03/95/239180395.db2.gz RFOIEWIPDKDBIK-CFVMTHIKSA-N 0 0 307.394 0.769 10 30 DCEERN N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCN1C1CC1 ZINC000370994981 239180443 /nfs/dbraw/zinc/18/04/43/239180443.db2.gz XKDFKEKILIJYHD-AWEZNQCLSA-N 0 0 316.336 0.963 10 30 DCEERN N#C[C@@H]1CN(C(=O)NC[C@@H]2COc3ccccc3O2)CCO1 ZINC000408095223 239261822 /nfs/dbraw/zinc/26/18/22/239261822.db2.gz MBKRBBJSPNQCHF-VXGBXAGGSA-N 0 0 303.318 0.760 10 30 DCEERN C=CCCn1cc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)nn1 ZINC000424687873 240261936 /nfs/dbraw/zinc/26/19/36/240261936.db2.gz REQWRDUDMFEXFA-NSHDSACASA-N 0 0 304.272 0.994 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)oc1C ZINC000424923595 240271893 /nfs/dbraw/zinc/27/18/93/240271893.db2.gz KISLHFZNVDLSHV-ONGXEEELSA-N 0 0 314.363 0.556 10 30 DCEERN COC(=O)CCN1CCN(C(=O)c2cc(C#N)cn2C)[C@@H](C)C1 ZINC000091630884 193082159 /nfs/dbraw/zinc/08/21/59/193082159.db2.gz PGMYYEVXHORFLK-LBPRGKRZSA-N 0 0 318.377 0.606 10 30 DCEERN COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000249322562 284201098 /nfs/dbraw/zinc/20/10/98/284201098.db2.gz GJAMEWVJUIOTBD-ZNMIVQPWSA-N 0 0 304.346 0.590 10 30 DCEERN O=CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000019678475 182136055 /nfs/dbraw/zinc/13/60/55/182136055.db2.gz IJQVIHZSDCMDQT-UHFFFAOYSA-N 0 0 308.359 0.781 10 30 DCEERN COc1ccc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nc1 ZINC000366059906 533439235 /nfs/dbraw/zinc/43/92/35/533439235.db2.gz XSBOTJNEHDZAOW-CQSZACIVSA-N 0 0 300.362 0.831 10 30 DCEERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)CCCC#N)[C@H]2C1 ZINC000246774595 533441325 /nfs/dbraw/zinc/44/13/25/533441325.db2.gz PCRAPXXMWVVXOJ-FRRDWIJNSA-N 0 0 302.396 0.888 10 30 DCEERN COC(=O)[C@H]1CSCN1S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000408206531 533510120 /nfs/dbraw/zinc/51/01/20/533510120.db2.gz OQBVWVJNLQPRNX-DTWKUNHWSA-N 0 0 307.397 0.013 10 30 DCEERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000284987308 131129328 /nfs/dbraw/zinc/12/93/28/131129328.db2.gz RUHURFLVLDYOGG-QGZVFWFLSA-N 0 0 313.357 0.821 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000023266382 395692364 /nfs/dbraw/zinc/69/23/64/395692364.db2.gz QGQQQYVJAODWKG-CYBMUJFWSA-N 0 0 310.442 0.209 10 30 DCEERN [O-][N+]1=C2CCC/C(=N/O)[C@]2(O)[C@H]2CCCC[C@]21N1CCOCC1 ZINC000225429830 395859902 /nfs/dbraw/zinc/85/99/02/395859902.db2.gz AVEYUCHSNZKODA-GEHIKXMRSA-O 0 0 324.401 0.807 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCCNC(C)=O)cc2C1=O ZINC000049957882 395835126 /nfs/dbraw/zinc/83/51/26/395835126.db2.gz KCCRSJWEIRALMH-UHFFFAOYSA-N 0 0 315.329 0.335 10 30 DCEERN C=CCONS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000220831669 395849791 /nfs/dbraw/zinc/84/97/91/395849791.db2.gz ZDSCLQBJRINNBW-UHFFFAOYSA-N 0 0 303.252 0.899 10 30 DCEERN CC(C)(C)n1cc(CN2CCN(CC(=O)NCC#N)CC2)cn1 ZINC000108867647 395794309 /nfs/dbraw/zinc/79/43/09/395794309.db2.gz AUOCVCSDYUJFLI-UHFFFAOYSA-N 0 0 318.425 0.395 10 30 DCEERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000234354624 395888368 /nfs/dbraw/zinc/88/83/68/395888368.db2.gz ONGUZCDEPWCGRQ-ZDUSSCGKSA-N 0 0 307.375 0.766 10 30 DCEERN CC(=O)c1ccc(C#N)c(NC[C@@H](O)CN2CCOCC2)c1 ZINC000273202767 395906722 /nfs/dbraw/zinc/90/67/22/395906722.db2.gz LLROMMHAJZMECN-OAHLLOKOSA-N 0 0 303.362 0.866 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000273392333 395917961 /nfs/dbraw/zinc/91/79/61/395917961.db2.gz DPWOZLKTFHPAHD-LBPRGKRZSA-N 0 0 313.375 0.997 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000273486938 395924726 /nfs/dbraw/zinc/92/47/26/395924726.db2.gz NMDRQKIUYXAHIO-JTQLQIEISA-N 0 0 313.379 0.708 10 30 DCEERN CS(=O)(=O)CCS(=O)(=O)N[C@H](CC#N)c1ccccc1 ZINC000225575835 395862142 /nfs/dbraw/zinc/86/21/42/395862142.db2.gz RPCRSSNMHGXMFY-GFCCVEGCSA-N 0 0 316.404 0.605 10 30 DCEERN N#CCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000119323551 395869626 /nfs/dbraw/zinc/86/96/26/395869626.db2.gz PKMHVOUBLDEODJ-UHFFFAOYSA-N 0 0 311.338 0.572 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)OC ZINC000273533783 395928213 /nfs/dbraw/zinc/92/82/13/395928213.db2.gz RGYCYSIJXLSBRL-LBPRGKRZSA-N 0 0 313.375 0.830 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000274315506 395938609 /nfs/dbraw/zinc/93/86/09/395938609.db2.gz YVJFBKOPHGKGCV-CQSZACIVSA-N 0 0 311.426 0.496 10 30 DCEERN CS(=O)(=O)O[C@H]1[C@H](O)C=CO[C@@H]1CO[C@@H]1CCCCO1 ZINC000146883338 395965795 /nfs/dbraw/zinc/96/57/95/395965795.db2.gz ZEJGRKQBQSYMEI-KKOKHZNYSA-N 0 0 308.352 0.148 10 30 DCEERN N#Cc1ccc(S(=O)(=O)CCSC[C@H](O)CO)cc1 ZINC000147965421 395967301 /nfs/dbraw/zinc/96/73/01/395967301.db2.gz XVGALZDSGYDILX-LLVKDONJSA-N 0 0 301.389 0.418 10 30 DCEERN C=CS(=O)(=O)CCCCCC(=O)ON1C(=O)CCC1=O ZINC000148605144 395968796 /nfs/dbraw/zinc/96/87/96/395968796.db2.gz HSMLXBQXRNCYRQ-UHFFFAOYSA-N 0 0 303.336 0.712 10 30 DCEERN CCCNC(=O)[C@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000248002168 395981704 /nfs/dbraw/zinc/98/17/04/395981704.db2.gz OINJLCSWMDHONI-ZDUSSCGKSA-N 0 0 301.394 0.990 10 30 DCEERN N#Cc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Br)c1 ZINC000278270836 396116440 /nfs/dbraw/zinc/11/64/40/396116440.db2.gz ARZUNINATVTVPE-LBPRGKRZSA-N 0 0 310.151 0.747 10 30 DCEERN Cc1cc(=O)n(CCS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000163134504 396085592 /nfs/dbraw/zinc/08/55/92/396085592.db2.gz RIJISUWEHNHMLV-UHFFFAOYSA-N 0 0 303.343 0.897 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075924555 396190347 /nfs/dbraw/zinc/19/03/47/396190347.db2.gz IZOZNRMLWFELIT-LBPRGKRZSA-N 0 0 324.425 0.718 10 30 DCEERN CCOc1ccnc(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)n1 ZINC000182812516 396254257 /nfs/dbraw/zinc/25/42/57/396254257.db2.gz LZTMKHNXCDPMJV-LBPRGKRZSA-N 0 0 318.381 0.867 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000183183827 396264529 /nfs/dbraw/zinc/26/45/29/396264529.db2.gz YAJBUTQBMIGAJT-GFCCVEGCSA-N 0 0 314.345 0.864 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC=CCC2)CC1 ZINC000077641064 396227887 /nfs/dbraw/zinc/22/78/87/396227887.db2.gz JPHCPNBJPPJUJZ-CQSZACIVSA-N 0 0 306.410 0.725 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000081153726 396294139 /nfs/dbraw/zinc/29/41/39/396294139.db2.gz LUSGCZDJYAMLJG-CYBMUJFWSA-N 0 0 318.402 0.938 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1cncc(C(=O)OC)c1 ZINC000595199231 396563847 /nfs/dbraw/zinc/56/38/47/396563847.db2.gz QLCAXEHQXMIMLI-UHFFFAOYSA-N 0 0 307.306 0.126 10 30 DCEERN C=CCCO[C@@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733786 396651316 /nfs/dbraw/zinc/65/13/16/396651316.db2.gz YAOWIWHQSUPOFA-LBPRGKRZSA-N 0 0 304.412 0.509 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595329131 396588665 /nfs/dbraw/zinc/58/86/65/396588665.db2.gz NWAFGMFIMRVAGU-SECBINFHSA-N 0 0 303.336 0.590 10 30 DCEERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000293278529 396597503 /nfs/dbraw/zinc/59/75/03/396597503.db2.gz GTIWLZJWRLOVQG-TZMCWYRMSA-N 0 0 315.377 0.962 10 30 DCEERN N#Cc1ccc(F)c(CN2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000585803661 396659000 /nfs/dbraw/zinc/65/90/00/396659000.db2.gz VOKZRRIGLYYQAC-HNNXBMFYSA-N 0 0 301.325 0.926 10 30 DCEERN C=CCNC(=O)NC(=O)CN1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000586777145 396665654 /nfs/dbraw/zinc/66/56/54/396665654.db2.gz GFIXPVOYOLNOIF-DTWKUNHWSA-N 0 0 309.288 0.650 10 30 DCEERN N#Cc1ccc(CNC(=O)C(=O)NCCOCC2CC2)c(F)c1 ZINC000586831637 396668559 /nfs/dbraw/zinc/66/85/59/396668559.db2.gz HUVRHYLUFPUJJY-UHFFFAOYSA-N 0 0 319.336 0.856 10 30 DCEERN C[C@@H](O)CCN(C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860006 396669092 /nfs/dbraw/zinc/66/90/92/396669092.db2.gz OUSFXXFMHXHHRI-SNVBAGLBSA-N 0 0 307.325 0.543 10 30 DCEERN COc1cc(C#N)ccc1OCCN1CCN2CCOC[C@H]2C1 ZINC000375233927 396720303 /nfs/dbraw/zinc/72/03/03/396720303.db2.gz NHBOCMIIIITOAX-OAHLLOKOSA-N 0 0 317.389 0.962 10 30 DCEERN C=C(C)[C@@H](CC(=O)NC[C@@]1(OCCO)CCOC1)OCC ZINC000617709227 396782503 /nfs/dbraw/zinc/78/25/03/396782503.db2.gz SOBBSMDHHDYLNW-HIFRSBDPSA-N 0 0 301.383 0.642 10 30 DCEERN Cc1c([C@H]2[C@H](NCC(=O)NCC3CC3)CC(=O)N2C)cnn1C ZINC000328638818 396829055 /nfs/dbraw/zinc/82/90/55/396829055.db2.gz WNDLKOXUFAEOTJ-CJNGLKHVSA-N 0 0 319.409 0.956 10 30 DCEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCOC[C@@H]1C1CC1 ZINC000329408595 396844239 /nfs/dbraw/zinc/84/42/39/396844239.db2.gz ZYLKLGQVJSUROR-YNEHKIRRSA-N 0 0 307.354 0.243 10 30 DCEERN C=C[C@@H](O)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000597039610 396878587 /nfs/dbraw/zinc/87/85/87/396878587.db2.gz SMRDLDONHXPFQW-QWHCGFSZSA-N 0 0 317.370 0.945 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 ZINC000597101962 396891230 /nfs/dbraw/zinc/89/12/30/396891230.db2.gz UMEBXNOCBOWJCL-JTQLQIEISA-N 0 0 310.354 0.850 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000597218606 396916136 /nfs/dbraw/zinc/91/61/36/396916136.db2.gz PMEAIERRXDXDBN-GFCCVEGCSA-N 0 0 323.422 0.162 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000611765479 396925875 /nfs/dbraw/zinc/92/58/75/396925875.db2.gz CGXRALGQPNAZDS-HNNXBMFYSA-N 0 0 319.409 0.540 10 30 DCEERN C=CCCN(C)C(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000625557059 396922662 /nfs/dbraw/zinc/92/26/62/396922662.db2.gz KKDVTTBQGNBXSH-UHFFFAOYSA-N 0 0 309.410 0.786 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCOC)[C@@H]1CCOC1 ZINC000625583705 396934197 /nfs/dbraw/zinc/93/41/97/396934197.db2.gz VWMVCBYGXQAYPP-CYBMUJFWSA-N 0 0 312.410 0.969 10 30 DCEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC(CCOC)C1 ZINC000611886082 396944146 /nfs/dbraw/zinc/94/41/46/396944146.db2.gz ROJZNUMFNFIQSN-UONOGXRCSA-N 0 0 310.394 0.579 10 30 DCEERN C=CC[C@@H](C)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000625698702 396982158 /nfs/dbraw/zinc/98/21/58/396982158.db2.gz ZIUMGNNCFYTWHG-XBFCOCLRSA-N 0 0 320.393 0.789 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@H](C)O2)C1=O ZINC000618576311 396995381 /nfs/dbraw/zinc/99/53/81/396995381.db2.gz NTTMZJUTFJVDON-WDEREUQCSA-N 0 0 323.349 0.037 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(OCCCO)CC1 ZINC000612283661 397022356 /nfs/dbraw/zinc/02/23/56/397022356.db2.gz ROIPAJJHKVLSBH-OAHLLOKOSA-N 0 0 312.410 0.847 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([S@](C)=O)CCC1 ZINC000597608391 397029776 /nfs/dbraw/zinc/02/97/76/397029776.db2.gz FAPAZRNHYRCZPM-YUNKPMOVSA-N 0 0 300.424 0.875 10 30 DCEERN CC#CC[C@@H](CO)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000592111594 397097039 /nfs/dbraw/zinc/09/70/39/397097039.db2.gz JPHWMAFCQKSUAS-ZDUSSCGKSA-N 0 0 310.350 0.891 10 30 DCEERN C=CCN1CC[C@H](N2CCC[C@@H](CS(=O)(=O)NC)C2)C1=O ZINC000626167583 397099894 /nfs/dbraw/zinc/09/98/94/397099894.db2.gz YEWFSAKVCMDPAV-OLZOCXBDSA-N 0 0 315.439 0.035 10 30 DCEERN C=CCOCC(=O)N[C@@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000601484215 397147129 /nfs/dbraw/zinc/14/71/29/397147129.db2.gz GPNYKTXPUHLCET-GFCCVEGCSA-N 0 0 308.382 0.915 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCOC[C@H]2OCCOC)C1=O ZINC000630978270 397150112 /nfs/dbraw/zinc/15/01/12/397150112.db2.gz ZAPIQQORPSQGGJ-YNEHKIRRSA-N 0 0 312.366 0.694 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCCCS2(=O)=O)C1=O ZINC000630979494 397151496 /nfs/dbraw/zinc/15/14/96/397151496.db2.gz TUQBMZIVXGQAIV-MNOVXSKESA-N 0 0 300.380 0.840 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)CC1(OC)CCC1)C(=O)OC ZINC000601502206 397155003 /nfs/dbraw/zinc/15/50/03/397155003.db2.gz SHZOEWPIABPVTJ-LLVKDONJSA-N 0 0 305.396 0.983 10 30 DCEERN C[C@H](C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)n1cnc(C#N)n1 ZINC000619596604 397155364 /nfs/dbraw/zinc/15/53/64/397155364.db2.gz CERPUNHJSZDENO-IJLUTSLNSA-N 0 0 305.338 0.117 10 30 DCEERN C=C(C)C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000601503142 397155579 /nfs/dbraw/zinc/15/55/79/397155579.db2.gz YHEFKGIWSJJREQ-GHMZBOCLSA-N 0 0 318.395 0.323 10 30 DCEERN N#Cc1ccsc1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000377896335 397160275 /nfs/dbraw/zinc/16/02/75/397160275.db2.gz AFCKUXXZJTZPGK-YMTOWFKASA-N 0 0 318.358 0.728 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000620055249 397229345 /nfs/dbraw/zinc/22/93/45/397229345.db2.gz LEZFRRUXROUCCK-GFCCVEGCSA-N 0 0 316.423 0.541 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000613292272 397238550 /nfs/dbraw/zinc/23/85/50/397238550.db2.gz CKDQQIMQZGUCRH-VHSXEESVSA-N 0 0 324.299 0.389 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)OC ZINC000601781457 397244349 /nfs/dbraw/zinc/24/43/49/397244349.db2.gz JEHAWMUFTNPYOT-JQWIXIFHSA-N 0 0 306.366 0.544 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CCCCN(C)C1=O ZINC000601968882 397275431 /nfs/dbraw/zinc/27/54/31/397275431.db2.gz INPMXRJQEMCTGI-NWDGAFQWSA-N 0 0 310.398 0.329 10 30 DCEERN C=CCC1(C(=O)N2C[C@H](C(=O)OC)C[C@H](O)C2)CCOCC1 ZINC000592930553 397294190 /nfs/dbraw/zinc/29/41/90/397294190.db2.gz QXGSNNMTJUQFGY-OLZOCXBDSA-N 0 0 311.378 0.742 10 30 DCEERN C=CCC[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)OCC ZINC000592804311 397255470 /nfs/dbraw/zinc/25/54/70/397255470.db2.gz YGFHXAKAEOAEKI-WDEREUQCSA-N 0 0 318.395 0.034 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000613414148 397256812 /nfs/dbraw/zinc/25/68/12/397256812.db2.gz RSOPFABOSGAGSG-RYUDHWBXSA-N 0 0 308.338 0.440 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000613435682 397259641 /nfs/dbraw/zinc/25/96/41/397259641.db2.gz OARIVROVZBPVPN-STQMWFEESA-N 0 0 316.423 0.541 10 30 DCEERN C[C@H]1OCCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1C(N)=O ZINC000408048140 397344831 /nfs/dbraw/zinc/34/48/31/397344831.db2.gz VOLJMDLUEIGCPE-OCCSQVGLSA-N 0 0 322.409 0.246 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCO[C@@](C)(COC)C1 ZINC000602237752 397349338 /nfs/dbraw/zinc/34/93/38/397349338.db2.gz BGFJSZJRZGIXRV-CQSZACIVSA-N 0 0 316.423 0.286 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC000602330206 397373951 /nfs/dbraw/zinc/37/39/51/397373951.db2.gz UKCLBONPPSJBDL-SLEUVZQESA-N 0 0 312.366 0.551 10 30 DCEERN C=CCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599458261 397445997 /nfs/dbraw/zinc/44/59/97/397445997.db2.gz ZMXXAXUVFVQPSD-NEPJUHHUSA-N 0 0 305.396 0.840 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000614491964 397448914 /nfs/dbraw/zinc/44/89/14/397448914.db2.gz PXIBLYMFLJARFG-NEPJUHHUSA-N 0 0 302.396 0.103 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856222 397503050 /nfs/dbraw/zinc/50/30/50/397503050.db2.gz KWXWMABQMBNHOC-FRRDWIJNSA-N 0 0 307.398 0.305 10 30 DCEERN C=CCCn1cc(Cn2cc(C(=O)OC)cc(C#N)c2=O)nn1 ZINC000594456576 397555524 /nfs/dbraw/zinc/55/55/24/397555524.db2.gz QZMUGDYGQHVZIO-UHFFFAOYSA-N 0 0 313.317 0.722 10 30 DCEERN CO[C@](C)(CO)CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000594485050 397561364 /nfs/dbraw/zinc/56/13/64/397561364.db2.gz PIUFQSKUNVIMQB-LBPRGKRZSA-N 0 0 302.327 0.373 10 30 DCEERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cc(CC#N)ccn1 ZINC000579422262 397564858 /nfs/dbraw/zinc/56/48/58/397564858.db2.gz JPJACSSLESYOBF-MRXNPFEDSA-N 0 0 312.329 0.699 10 30 DCEERN C=CCN(CC=C)C(=O)CN1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000602950616 397532575 /nfs/dbraw/zinc/53/25/75/397532575.db2.gz LXSADGSWFQBHPK-BBRMVZONSA-N 0 0 310.394 0.839 10 30 DCEERN C=CCOC[C@@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)OC ZINC000599874125 397533935 /nfs/dbraw/zinc/53/39/35/397533935.db2.gz PRJNTQOFQNVYQY-CYBMUJFWSA-N 0 0 303.318 0.356 10 30 DCEERN CN1CC[C@H](Cn2cc(Br)cc(C#N)c2=O)C1=O ZINC000603331290 397597601 /nfs/dbraw/zinc/59/76/01/397597601.db2.gz GIABFIMEXHZTBF-MRVPVSSYSA-N 0 0 310.151 0.961 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)C[C@H](COC)OC)C(=O)OC ZINC000603394900 397605781 /nfs/dbraw/zinc/60/57/81/397605781.db2.gz CXAFIKZRDHOYCW-QWRGUYRKSA-N 0 0 309.384 0.075 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCOC[C@H]1C)C(=O)OC ZINC000603395022 397605852 /nfs/dbraw/zinc/60/58/52/397605852.db2.gz GGPUDUCWTXMLAA-WOPDTQHZSA-N 0 0 305.396 0.839 10 30 DCEERN N#Cc1ccsc1C(=O)NCCCN1CCCS1(=O)=O ZINC000608778426 397755345 /nfs/dbraw/zinc/75/53/45/397755345.db2.gz CCSHLVZQZRBFRC-UHFFFAOYSA-N 0 0 313.404 0.775 10 30 DCEERN N#Cc1ccsc1NC(=O)CCN1CCOC[C@@H]1C(N)=O ZINC000092228629 158111919 /nfs/dbraw/zinc/11/19/19/158111919.db2.gz RHZWGJDNFKWDMU-SNVBAGLBSA-N 0 0 308.363 0.134 10 30 DCEERN Cn1cnc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000092265532 158112692 /nfs/dbraw/zinc/11/26/92/158112692.db2.gz MPCCQKBOHUDJAO-UHFFFAOYSA-N 0 0 311.754 0.819 10 30 DCEERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130606718 158295761 /nfs/dbraw/zinc/29/57/61/158295761.db2.gz YBQHJAKGQMREMU-KBPBESRZSA-N 0 0 300.314 0.957 10 30 DCEERN C[C@H](CS(C)(=O)=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130840162 158297410 /nfs/dbraw/zinc/29/74/10/158297410.db2.gz HQEAWTVKKYVCSB-LLVKDONJSA-N 0 0 322.386 0.829 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160477258 158354484 /nfs/dbraw/zinc/35/44/84/158354484.db2.gz YAXXIXONLIKISF-NEPJUHHUSA-N 0 0 324.406 0.344 10 30 DCEERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000166506773 158366405 /nfs/dbraw/zinc/36/64/05/158366405.db2.gz CULDIRDBSBNJNX-SNVBAGLBSA-N 0 0 309.347 0.527 10 30 DCEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172650159 158397859 /nfs/dbraw/zinc/39/78/59/158397859.db2.gz TZSLKHQEFBLKOZ-WCQYABFASA-N 0 0 314.345 0.657 10 30 DCEERN C[C@@H](CS(C)(=O)=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185998231 158525546 /nfs/dbraw/zinc/52/55/46/158525546.db2.gz NIYCLGOAFHUWMB-JTQLQIEISA-N 0 0 305.363 0.984 10 30 DCEERN CN(CCc1ccccn1)C(=O)CNC(=O)c1ccnc(C#N)c1 ZINC000193115277 158580369 /nfs/dbraw/zinc/58/03/69/158580369.db2.gz BRFZAPILXHVDID-UHFFFAOYSA-N 0 0 323.356 0.779 10 30 DCEERN CN1CCOC[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000329027550 159053979 /nfs/dbraw/zinc/05/39/79/159053979.db2.gz KDBYNKJDRYYWKR-OAHLLOKOSA-N 0 0 301.346 0.478 10 30 DCEERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000408111764 160038077 /nfs/dbraw/zinc/03/80/77/160038077.db2.gz DZZYLLIYHRNGMC-MNOVXSKESA-N 0 0 313.379 0.227 10 30 DCEERN COCC(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128683552 286983955 /nfs/dbraw/zinc/98/39/55/286983955.db2.gz DEJQHBRSASZSKT-UHFFFAOYSA-N 0 0 313.361 0.497 10 30 DCEERN C=CCCCNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000353443665 415547326 /nfs/dbraw/zinc/54/73/26/415547326.db2.gz UOOVFQKNXPYXTC-ZDUSSCGKSA-N 0 0 319.409 0.588 10 30 DCEERN CN(CCC#N)c1ccc([C@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093884657 415549502 /nfs/dbraw/zinc/54/95/02/415549502.db2.gz VMNDWHPAJDYTCM-CABCVRRESA-N 0 0 300.362 0.866 10 30 DCEERN C=CCNC(=O)NC(=O)CN[C@H](C(=O)OC)c1cccc(O)c1 ZINC000353462142 415554238 /nfs/dbraw/zinc/55/42/38/415554238.db2.gz CHIQISYBANTYNS-ZDUSSCGKSA-N 0 0 321.333 0.208 10 30 DCEERN C=CCOc1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000286039925 415622809 /nfs/dbraw/zinc/62/28/09/415622809.db2.gz SWRFWQDPRACNHP-LBPRGKRZSA-N 0 0 303.318 0.466 10 30 DCEERN N#CC1(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)CCCC1 ZINC000286018174 415624206 /nfs/dbraw/zinc/62/42/06/415624206.db2.gz HFLVBLIXFCFNTC-HNNXBMFYSA-N 0 0 303.366 0.716 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000333214779 415586637 /nfs/dbraw/zinc/58/66/37/415586637.db2.gz UQWFGYSLTOARCY-TUAOUCFPSA-N 0 0 302.396 0.549 10 30 DCEERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C[C@@H]21 ZINC000284652506 415596092 /nfs/dbraw/zinc/59/60/92/415596092.db2.gz MHEYOPAQTBKKNV-LSDHHAIUSA-N 0 0 321.402 0.652 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CCC(=O)NC1=O ZINC000287499684 415671871 /nfs/dbraw/zinc/67/18/71/415671871.db2.gz YRUOIOSTPVMCOW-AWEZNQCLSA-N 0 0 313.357 0.679 10 30 DCEERN N#C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000108904655 415683413 /nfs/dbraw/zinc/68/34/13/415683413.db2.gz SPNGPSLLYLEXQG-SNVBAGLBSA-N 0 0 316.273 0.921 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000333974478 415776238 /nfs/dbraw/zinc/77/62/38/415776238.db2.gz QEKXDZIASIFYNV-OLZOCXBDSA-N 0 0 324.425 0.623 10 30 DCEERN C=CCCOCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000122360021 415833924 /nfs/dbraw/zinc/83/39/24/415833924.db2.gz HMHZZTMTATXIJB-CQSZACIVSA-N 0 0 308.382 0.886 10 30 DCEERN COCCCOC1CN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000126070696 415869867 /nfs/dbraw/zinc/86/98/67/415869867.db2.gz NIIIBXQQQRMQDM-UHFFFAOYSA-N 0 0 310.375 0.984 10 30 DCEERN C=C(C)COCCNC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000337021692 415893039 /nfs/dbraw/zinc/89/30/39/415893039.db2.gz SAZKXPPFHXVJKG-NSHDSACASA-N 0 0 305.400 0.042 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000337046726 415898535 /nfs/dbraw/zinc/89/85/35/415898535.db2.gz GKGLFVDBMQNJKQ-VXGBXAGGSA-N 0 0 304.412 0.101 10 30 DCEERN C#Cc1ccc(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000296439776 415927401 /nfs/dbraw/zinc/92/74/01/415927401.db2.gz MSAQINYRMYSZLU-UONOGXRCSA-N 0 0 301.346 0.500 10 30 DCEERN C=CCSCCNC(=O)C(=O)NCc1cccc(OC)n1 ZINC000355294284 415860291 /nfs/dbraw/zinc/86/02/91/415860291.db2.gz WFXMPIMOSGEXRP-UHFFFAOYSA-N 0 0 309.391 0.742 10 30 DCEERN CC#CCN(C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000344194271 415864117 /nfs/dbraw/zinc/86/41/17/415864117.db2.gz KEZJAJDRZGSEQB-UHFFFAOYSA-N 0 0 322.328 0.559 10 30 DCEERN C=C(C)COCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000135031456 415957663 /nfs/dbraw/zinc/95/76/63/415957663.db2.gz USSGNUIKZMTJKX-UHFFFAOYSA-N 0 0 305.382 0.901 10 30 DCEERN CN1CCO[C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000135441610 415960892 /nfs/dbraw/zinc/96/08/92/415960892.db2.gz MNSVIYGDLWHFFT-CYBMUJFWSA-N 0 0 302.330 0.214 10 30 DCEERN C#Cc1ccc(CNC(=O)N[C@H](CC)CNS(C)(=O)=O)cc1 ZINC000297444080 415963948 /nfs/dbraw/zinc/96/39/48/415963948.db2.gz BDRYYFKCQCRFDU-CQSZACIVSA-N 0 0 323.418 0.795 10 30 DCEERN CCOC(=O)CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000132226958 415932336 /nfs/dbraw/zinc/93/23/36/415932336.db2.gz LYSBWBFEYHIXFQ-UHFFFAOYSA-N 0 0 310.375 0.827 10 30 DCEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000133025078 415937621 /nfs/dbraw/zinc/93/76/21/415937621.db2.gz ILAFKEMFYPDSLM-AWEZNQCLSA-N 0 0 303.362 0.290 10 30 DCEERN C=CCOC[C@H](NC(=O)N1CC[C@@H](COC)C1)C(=O)OC ZINC000337779942 416008049 /nfs/dbraw/zinc/00/80/49/416008049.db2.gz SIHYNLLWMBOCMH-NEPJUHHUSA-N 0 0 300.355 0.409 10 30 DCEERN N#Cc1ncn(CC(=O)NCc2ccnc(OC(F)F)c2)n1 ZINC000356990381 416015436 /nfs/dbraw/zinc/01/54/36/416015436.db2.gz TURFINYIAJQHNS-UHFFFAOYSA-N 0 0 308.248 0.463 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)CCCC(=O)NC ZINC000337870967 416017059 /nfs/dbraw/zinc/01/70/59/416017059.db2.gz UZGLCVBZRKVQJD-GFCCVEGCSA-N 0 0 323.397 0.514 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000321262205 416120654 /nfs/dbraw/zinc/12/06/54/416120654.db2.gz UAUYDNQOBZMNNK-SNVBAGLBSA-N 0 0 301.364 0.919 10 30 DCEERN Cc1cc(=O)n(C)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328965443 416141005 /nfs/dbraw/zinc/14/10/05/416141005.db2.gz MIRCWPDNWWRVKO-ZIAGYGMSSA-N 0 0 320.393 0.644 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2ncc(C)s2)CC1 ZINC000338977585 416149074 /nfs/dbraw/zinc/14/90/74/416149074.db2.gz UXDUMCCCGVEMCR-UHFFFAOYSA-N 0 0 323.422 0.903 10 30 DCEERN CO[C@]1(C)C[C@H](NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000329124379 416152102 /nfs/dbraw/zinc/15/21/02/416152102.db2.gz LUYJNMRHNGDURC-OZTPJHRESA-N 0 0 323.397 0.925 10 30 DCEERN C=CC[C@@H](CO)CNS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000341189621 416205224 /nfs/dbraw/zinc/20/52/24/416205224.db2.gz MJGFUXJVEKSIJJ-SECBINFHSA-N 0 0 317.367 0.049 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1cccnc1OCCOC ZINC000348168847 416234392 /nfs/dbraw/zinc/23/43/92/416234392.db2.gz TVNDBJWFCKROCZ-UHFFFAOYSA-N 0 0 308.338 0.531 10 30 DCEERN Cn1ncc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000358218804 416214080 /nfs/dbraw/zinc/21/40/80/416214080.db2.gz FDCJQBVTEQFKLD-OAHLLOKOSA-N 0 0 304.350 0.702 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000347708777 416222361 /nfs/dbraw/zinc/22/23/61/416222361.db2.gz SIIYZFVLHFKATA-CYBMUJFWSA-N 0 0 321.377 0.548 10 30 DCEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000330919172 416248217 /nfs/dbraw/zinc/24/82/17/416248217.db2.gz YEDDEMAQBVNBNI-GVXVVHGQSA-N 0 0 304.412 0.148 10 30 DCEERN CC(=O)NC1CN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000191730389 416288770 /nfs/dbraw/zinc/28/87/70/416288770.db2.gz YQSAKVIXJUHWGO-HNNXBMFYSA-N 0 0 303.362 0.313 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000331237110 416292365 /nfs/dbraw/zinc/29/23/65/416292365.db2.gz MCPLRWTWUNQJSX-MRXNPFEDSA-N 0 0 323.437 0.374 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000331250969 416295955 /nfs/dbraw/zinc/29/59/55/416295955.db2.gz OUQXNDKWHLJHMS-UPJWGTAASA-N 0 0 312.366 0.755 10 30 DCEERN C=CCCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000359760365 416357394 /nfs/dbraw/zinc/35/73/94/416357394.db2.gz WOFFNSCOJBUXOU-UHFFFAOYSA-N 0 0 304.393 0.730 10 30 DCEERN CCCCCCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000195385233 416326095 /nfs/dbraw/zinc/32/60/95/416326095.db2.gz HKFNLQTZYOJWAF-NEPJUHHUSA-N 0 0 306.428 0.861 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)OC ZINC000584199468 416508136 /nfs/dbraw/zinc/50/81/36/416508136.db2.gz JIGDDRYMXBZWQE-SNVBAGLBSA-N 0 0 306.318 0.465 10 30 DCEERN C=C(C)COCCNC(=O)C(=O)Nc1cc(CCOC)nn1C ZINC000491484392 416602452 /nfs/dbraw/zinc/60/24/52/416602452.db2.gz JVTHNPVJFIWOPN-UHFFFAOYSA-N 0 0 324.381 0.256 10 30 DCEERN C[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1nnc2n1CCCCC2 ZINC000609282445 416652675 /nfs/dbraw/zinc/65/26/75/416652675.db2.gz MUPLRHDMJNGBCE-NEPJUHHUSA-N 0 0 318.381 0.999 10 30 DCEERN CCCNC(=O)CN1CCC(Nc2ccncc2C#N)CC1 ZINC000545240374 416669156 /nfs/dbraw/zinc/66/91/56/416669156.db2.gz MANXJWLTNKIPEP-UHFFFAOYSA-N 0 0 301.394 0.778 10 30 DCEERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000369300528 416750571 /nfs/dbraw/zinc/75/05/71/416750571.db2.gz XRZRMSQDOXJKQG-SNVBAGLBSA-N 0 0 313.404 0.774 10 30 DCEERN C=CCC1(C(=O)NCC(=O)Nc2ccn(C)n2)CCOCC1 ZINC000614046953 416686186 /nfs/dbraw/zinc/68/61/86/416686186.db2.gz VKKRGXDQERXZNE-UHFFFAOYSA-N 0 0 306.366 0.848 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000614732132 416697948 /nfs/dbraw/zinc/69/79/48/416697948.db2.gz XEFZNZVMXCNIEN-PWSUYJOCSA-N 0 0 316.423 0.539 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000614872042 416719612 /nfs/dbraw/zinc/71/96/12/416719612.db2.gz 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416909155 /nfs/dbraw/zinc/90/91/55/416909155.db2.gz ZMIUXQDMEJZGEX-PSASIEDQSA-N 0 0 309.288 0.650 10 30 DCEERN C=CC(C)(C)CCNC(=O)NCCNS(=O)(=O)NC(C)C ZINC000623956597 416928036 /nfs/dbraw/zinc/92/80/36/416928036.db2.gz JLKIECVFFRFPJU-UHFFFAOYSA-N 0 0 320.459 0.720 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000616295776 417008494 /nfs/dbraw/zinc/00/84/94/417008494.db2.gz HTBVJQJSFPXMKM-QWHCGFSZSA-N 0 0 305.382 0.900 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCS(=O)(=O)CC ZINC000616314528 417013426 /nfs/dbraw/zinc/01/34/26/417013426.db2.gz QJTADUFOVOTZAB-GFCCVEGCSA-N 0 0 304.412 0.398 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2c(nnn2C)C1 ZINC000616703595 417096751 /nfs/dbraw/zinc/09/67/51/417096751.db2.gz XUWCIMWMKARWMK-DGCLKSJQSA-N 0 0 305.382 0.260 10 30 DCEERN C=CCCCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000447972383 417053829 /nfs/dbraw/zinc/05/38/29/417053829.db2.gz QIVCEOHFAJGLSA-UHFFFAOYSA-N 0 0 307.398 1.303 10 30 DCEERN CC(C)N1CC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000377689961 417062326 /nfs/dbraw/zinc/06/23/26/417062326.db2.gz ZOYMDCHWUAJTKH-KBPBESRZSA-N 0 0 319.409 0.377 10 30 DCEERN C=C[C@H](CO)NC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624929927 417138014 /nfs/dbraw/zinc/13/80/14/417138014.db2.gz TXDCABSTGYFURI-CABCVRRESA-N 0 0 320.393 0.129 10 30 DCEERN C=CCCn1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)nn1 ZINC000568502061 417144236 /nfs/dbraw/zinc/14/42/36/417144236.db2.gz CWAGJSZCUFUMPE-UMVBOHGHSA-N 0 0 320.393 0.856 10 30 DCEERN CC(=O)c1cn(CC(=O)NCCOc2ccc(C#N)cc2)nn1 ZINC000449952964 417190874 /nfs/dbraw/zinc/19/08/74/417190874.db2.gz XKSSUERSRTYVEI-UHFFFAOYSA-N 0 0 313.317 0.548 10 30 DCEERN C=CCCn1cc(CNS(=O)(=O)N2CCC[C@H](C)C2)nn1 ZINC000632635680 417210790 /nfs/dbraw/zinc/21/07/90/417210790.db2.gz HMYOTQJRVABBFH-LBPRGKRZSA-N 0 0 313.427 0.921 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000527744442 417273720 /nfs/dbraw/zinc/27/37/20/417273720.db2.gz 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VCABJBDJMTZYGK-OLZOCXBDSA-N 0 0 316.423 0.979 10 30 DCEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1nnn(C)n1 ZINC000330212531 336124726 /nfs/dbraw/zinc/12/47/26/336124726.db2.gz KIASAZCDKRMBRT-DTWKUNHWSA-N 0 0 312.399 0.614 10 30 DCEERN [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC2(C1)CCOCC2 ZINC000330212479 336124816 /nfs/dbraw/zinc/12/48/16/336124816.db2.gz KGOKFMYIOITDOL-NWDGAFQWSA-N 0 0 307.354 0.244 10 30 DCEERN Cn1nnc(CNC(=O)N2CC[C@H](Oc3ccncc3)C2)n1 ZINC000330224853 336126720 /nfs/dbraw/zinc/12/67/20/336126720.db2.gz NWJUFVHPJFJFGY-NSHDSACASA-N 0 0 303.326 0.172 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCc2cnccn2)CCN1C1CC1 ZINC000376802327 337041444 /nfs/dbraw/zinc/04/14/44/337041444.db2.gz AGDQWSIEKYQXJD-AWEZNQCLSA-N 0 0 300.366 0.401 10 30 DCEERN C=CCNC(=O)CNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000376856450 337042875 /nfs/dbraw/zinc/04/28/75/337042875.db2.gz IUJLZLZLUUVQMP-CQSZACIVSA-N 0 0 319.361 0.777 10 30 DCEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000376886606 337043260 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C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000425909478 338018933 /nfs/dbraw/zinc/01/89/33/338018933.db2.gz OZVASAPQLXILKU-XGUBFFRZSA-N 0 0 322.405 0.579 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)COCC)CC1 ZINC000430160869 338099527 /nfs/dbraw/zinc/09/95/27/338099527.db2.gz CITFDCHCLCMTIV-ZDUSSCGKSA-N 0 0 312.414 0.041 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCOC[C@@H]2C)CC1 ZINC000433460897 338195306 /nfs/dbraw/zinc/19/53/06/338195306.db2.gz RYRKPCMCLSCUNS-KBPBESRZSA-N 0 0 324.425 0.041 10 30 DCEERN C=CCOC[C@H](NC(=O)c1ccnc2[nH]cnc21)C(=O)OC ZINC000435950343 338253990 /nfs/dbraw/zinc/25/39/90/338253990.db2.gz QHXFSDQHEFRYAU-JTQLQIEISA-N 0 0 304.306 0.432 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000436486495 338273850 /nfs/dbraw/zinc/27/38/50/338273850.db2.gz JIXFFNVLBJLPAW-UHFFFAOYSA-N 0 0 309.326 0.021 10 30 DCEERN C=CCN(C(=O)C(=O)Nc1cc(CCOC)nn1C)C1CC1 ZINC000442410655 338423806 /nfs/dbraw/zinc/42/38/06/338423806.db2.gz SCKBRGBAGGZYKR-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/51/22/86/341512286.db2.gz VDJIVFPYXCFNEY-CYDGBPFRSA-N 0 0 316.423 0.795 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000566064873 341546797 /nfs/dbraw/zinc/54/67/97/341546797.db2.gz QXQBMIZXHMHFEG-STQMWFEESA-N 0 0 307.394 0.889 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000568727599 341679771 /nfs/dbraw/zinc/67/97/71/341679771.db2.gz LKFVBWWICUNLFN-KGLIPLIRSA-N 0 0 319.409 0.591 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000573246131 341722349 /nfs/dbraw/zinc/72/23/49/341722349.db2.gz VERREMXNLKRUMB-JQWIXIFHSA-N 0 0 300.318 0.599 10 30 DCEERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000155759238 534214430 /nfs/dbraw/zinc/21/44/30/534214430.db2.gz NFZIOLVJQVXWEK-PWSUYJOCSA-N 0 0 314.345 0.609 10 30 DCEERN Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C[C@@H](C)C#N)no1 ZINC000367131965 534610093 /nfs/dbraw/zinc/61/00/93/534610093.db2.gz WQQJIANGXIIEQI-GXSJLCMTSA-N 0 0 313.383 0.851 10 30 DCEERN N#CCCS(=O)(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000408191813 534651468 /nfs/dbraw/zinc/65/14/68/534651468.db2.gz INFPEZVBKNQNRS-SNVBAGLBSA-N 0 0 303.409 0.227 10 30 DCEERN COCC(=O)NC1CN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000188341922 522759350 /nfs/dbraw/zinc/75/93/50/522759350.db2.gz VWYZDCYOBOBCQI-UHFFFAOYSA-N 0 0 302.334 0.215 10 30 DCEERN Cn1c2ncc(C(=O)N[C@H]3CCC[C@H]3C#N)cc2c(=O)[nH]c1=O ZINC000408338345 534672672 /nfs/dbraw/zinc/67/26/72/534672672.db2.gz JTAMOQSUSQORRY-KWQFWETISA-N 0 0 313.317 0.456 10 30 DCEERN N#CCOc1cccc(CC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000127518022 534699156 /nfs/dbraw/zinc/69/91/56/534699156.db2.gz UYUJULNSCSHTBN-ZDUSSCGKSA-N 0 0 311.345 0.854 10 30 DCEERN N#CCSCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183725581 534703734 /nfs/dbraw/zinc/70/37/34/534703734.db2.gz ICKTWDJKFQVCAJ-UHFFFAOYSA-N 0 0 324.381 0.930 10 30 DCEERN CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156759090 523630431 /nfs/dbraw/zinc/63/04/31/523630431.db2.gz ZUCHCIRNEMZQLA-WCQGTBRESA-N 0 0 318.377 0.205 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000362011314 526284225 /nfs/dbraw/zinc/28/42/25/526284225.db2.gz FBSDVFJTJAOTCN-UHFFFAOYSA-N 0 0 306.366 0.747 10 30 DCEERN CC#CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000278536103 526288469 /nfs/dbraw/zinc/28/84/69/526288469.db2.gz FLJDHEDJCLJYSL-UHFFFAOYSA-N 0 0 324.358 0.375 10 30 DCEERN C=CCN(C[C@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000336798206 526329773 /nfs/dbraw/zinc/32/97/73/526329773.db2.gz DCFABNUNAPGVKI-NWDGAFQWSA-N 0 0 309.453 0.342 10 30 DCEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cn(C)nn1 ZINC000339973297 526341784 /nfs/dbraw/zinc/34/17/84/526341784.db2.gz MZWVYOBBIHIUCU-UHFFFAOYSA-N 0 0 324.344 0.840 10 30 DCEERN CC#CCN(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000158835276 526362460 /nfs/dbraw/zinc/36/24/60/526362460.db2.gz SVCUIRNZSYYOGT-UHFFFAOYSA-N 0 0 308.382 0.251 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCC3)C[C@H]2C)C1=O ZINC000365322609 526391556 /nfs/dbraw/zinc/39/15/56/526391556.db2.gz SABSLZUACUZLRL-LLVKDONJSA-N 0 0 319.361 0.754 10 30 DCEERN C=C(C)CN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408336388 526504529 /nfs/dbraw/zinc/50/45/29/526504529.db2.gz NRBIVQSMFYFBNM-UHFFFAOYSA-N 0 0 324.468 0.496 10 30 DCEERN C=CCNC(=O)CNC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000181239893 526549153 /nfs/dbraw/zinc/54/91/53/526549153.db2.gz SGBKYNYDFUGEGA-LLVKDONJSA-N 0 0 318.368 0.660 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000348163914 526561083 /nfs/dbraw/zinc/56/10/83/526561083.db2.gz DPGLPMDZVHLDPE-UHFFFAOYSA-N 0 0 304.306 0.441 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000181641574 526564173 /nfs/dbraw/zinc/56/41/73/526564173.db2.gz VPPCXABTCIEQAV-SWLSCSKDSA-N 0 0 316.361 0.019 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000159182910 526591484 /nfs/dbraw/zinc/59/14/84/526591484.db2.gz JGHNBAYYHULJJR-CYBMUJFWSA-N 0 0 307.350 0.973 10 30 DCEERN C#CCCCS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367778145 526719204 /nfs/dbraw/zinc/71/92/04/526719204.db2.gz JOLDUNIAPMPJNR-UONOGXRCSA-N 0 0 315.435 0.887 10 30 DCEERN C=CCOCCNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371642298 526778561 /nfs/dbraw/zinc/77/85/61/526778561.db2.gz MVEPNXKIEFWOQP-IAQYHMDHSA-N 0 0 324.381 0.209 10 30 DCEERN C=CCS(=O)(=O)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000365641206 526976457 /nfs/dbraw/zinc/97/64/57/526976457.db2.gz FMJGFEJJPZRWJO-CQSZACIVSA-N 0 0 320.430 0.916 10 30 DCEERN C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000341224639 527080621 /nfs/dbraw/zinc/08/06/21/527080621.db2.gz CGDNHBPXGNKZIH-LLVKDONJSA-N 0 0 312.391 0.509 10 30 DCEERN C=CC[C@H](CO)NC(=O)CNC(=O)c1ccccc1OCC ZINC000185382407 527194423 /nfs/dbraw/zinc/19/44/23/527194423.db2.gz LWYWQIYZIJIOPS-GFCCVEGCSA-N 0 0 306.362 0.868 10 30 DCEERN C=CC[C@H](CO)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000185311065 527194729 /nfs/dbraw/zinc/19/47/29/527194729.db2.gz XUWPLFRCFFFXBF-CYBMUJFWSA-N 0 0 305.382 0.682 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000185719140 527207862 /nfs/dbraw/zinc/20/78/62/527207862.db2.gz XOBWDAMNDJFTJF-CYBMUJFWSA-N 0 0 324.402 0.676 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186663037 527209309 /nfs/dbraw/zinc/20/93/09/527209309.db2.gz HYRAVYIGYCSYRB-GFCCVEGCSA-N 0 0 314.363 0.994 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000122362242 527446121 /nfs/dbraw/zinc/44/61/21/527446121.db2.gz NZIGLFKQJJVBRC-NSHDSACASA-N 0 0 320.370 0.252 10 30 DCEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000359448820 527626837 /nfs/dbraw/zinc/62/68/37/527626837.db2.gz ZBBAQNIPJSBUQK-YPMHNXCESA-N 0 0 304.412 0.196 10 30 DCEERN CCCCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(N)=O ZINC000178998639 528440402 /nfs/dbraw/zinc/44/04/02/528440402.db2.gz JUGRSJIPIWDBIU-UHFFFAOYSA-N 0 0 323.418 0.919 10 30 DCEERN C[C@H](Cn1cncn1)NC(=O)NCCN1CCOCC1(C)C ZINC000328906815 546040870 /nfs/dbraw/zinc/04/08/70/546040870.db2.gz BQSAWIZPJLDMTO-GFCCVEGCSA-N 0 0 310.402 0.281 10 30 DCEERN O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCCN1c1cccnn1 ZINC000329560331 546050976 /nfs/dbraw/zinc/05/09/76/546050976.db2.gz FXHGQINJPPMDLC-JTQLQIEISA-N 0 0 318.337 0.794 10 30 DCEERN CN1C[C@@H](NC(=O)NCC(=O)Nc2cccnc2)CCC1=O ZINC000329683641 546053945 /nfs/dbraw/zinc/05/39/45/546053945.db2.gz TWBNDXGGZRFWBU-NSHDSACASA-N 0 0 305.338 0.794 10 30 DCEERN Cn1cc(N2CCC[C@@H](NC(=O)Cn3cccnc3=O)C2)cn1 ZINC000329693015 546053974 /nfs/dbraw/zinc/05/39/74/546053974.db2.gz GYSSBWLWXCKILT-GFCCVEGCSA-N 0 0 316.365 0.602 10 30 DCEERN C#CC[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(C)C ZINC000255418425 658008058 /nfs/dbraw/zinc/00/80/58/658008058.db2.gz XEUGMNOAGSGAAS-YXVBKTCISA-N 0 0 304.346 0.688 10 30 DCEERN C#CCNC(=O)c1ccccc1NC(=O)CNC(=O)CCC ZINC000161343982 658551645 /nfs/dbraw/zinc/55/16/45/658551645.db2.gz PANDBKPWTNELOP-UHFFFAOYSA-N 0 0 301.346 0.904 10 30 DCEERN CC(C)(C#N)COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000180127557 658957281 /nfs/dbraw/zinc/95/72/81/658957281.db2.gz CRHOXLXUKYYATP-UHFFFAOYSA-N 0 0 301.302 0.783 10 30 DCEERN O=C(NCCc1cnccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000329319307 659161576 /nfs/dbraw/zinc/16/15/76/659161576.db2.gz RBTHHFYRTNGGNC-AWEZNQCLSA-N 0 0 305.382 0.340 10 30 DCEERN C=CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000015807044 661717436 /nfs/dbraw/zinc/71/74/36/661717436.db2.gz HAFBNRXEHFXCEH-NSHDSACASA-N 0 0 320.345 0.659 10 30 DCEERN C=CCn1nnn(CN2CCS(=O)(=O)[C@@H](C)C2)c1=S ZINC000738058917 661930653 /nfs/dbraw/zinc/93/06/53/661930653.db2.gz ZENLJSAZFOXTAX-VIFPVBQESA-N 0 0 303.413 0.071 10 30 DCEERN CS(=O)(=O)CCNC(=S)NCc1ccc(C#N)cc1F ZINC000729821246 662910960 /nfs/dbraw/zinc/91/09/60/662910960.db2.gz JHDFLKWOFRRUGT-UHFFFAOYSA-N 0 0 315.395 0.706 10 30 DCEERN C=CCNC(=O)COC(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000732407244 664924117 /nfs/dbraw/zinc/92/41/17/664924117.db2.gz BCHOZIDMNBFMSM-PLNGDYQASA-N 0 0 303.318 0.300 10 30 DCEERN N#C[C@H]1CN(C(=O)CCn2ccccc2=O)CCN1C1CC1 ZINC000732649416 664950277 /nfs/dbraw/zinc/95/02/77/664950277.db2.gz ILWAVJKWKLXDQQ-AWEZNQCLSA-N 0 0 300.362 0.437 10 30 DCEERN N#C[C@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)CCN1C1CC1 ZINC000732665220 664950538 /nfs/dbraw/zinc/95/05/38/664950538.db2.gz ZXLQMBNMXVQJPY-SWLSCSKDSA-N 0 0 320.418 0.251 10 30 DCEERN N#C[C@@H]1CN(Cc2ccc(OCC(N)=O)cc2)CCN1C1CC1 ZINC000732668505 664951006 /nfs/dbraw/zinc/95/10/06/664951006.db2.gz MIVVPYAYEXVBEO-OAHLLOKOSA-N 0 0 314.389 0.723 10 30 DCEERN CC1CCN(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000732668906 664951025 /nfs/dbraw/zinc/95/10/25/664951025.db2.gz BQOPIHRUTAIQIP-AWEZNQCLSA-N 0 0 312.439 0.635 10 30 DCEERN N#C[C@@H]1CN(CN2C(=O)CC3(CCCC3)C2=O)CCN1C1CC1 ZINC000732673200 664951365 /nfs/dbraw/zinc/95/13/65/664951365.db2.gz XOBDPNWYDPQOQW-CQSZACIVSA-N 0 0 316.405 0.935 10 30 DCEERN CCCC[C@H]1NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000732672193 664951446 /nfs/dbraw/zinc/95/14/46/664951446.db2.gz FPEQZSYFVLMJEG-UONOGXRCSA-N 0 0 319.409 0.727 10 30 DCEERN C#CCCNC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000733246955 666358285 /nfs/dbraw/zinc/35/82/85/666358285.db2.gz XDXHMJLNSZUKQN-UHFFFAOYSA-N 0 0 300.362 0.951 10 30 DCEERN N#C[C@@H]1CN(C(=O)CCCn2ccccc2=O)CCN1C1CC1 ZINC000735012800 666935593 /nfs/dbraw/zinc/93/55/93/666935593.db2.gz IPVLTSVDGNJJMO-OAHLLOKOSA-N 0 0 314.389 0.827 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2cc(C#N)cnn2)C1 ZINC000702832297 667001227 /nfs/dbraw/zinc/00/12/27/667001227.db2.gz PWCDGVJAFHWDIR-NEPJUHHUSA-N 0 0 319.365 0.988 10 30 DCEERN CN(Cc1cnccn1)C(=O)NCCNc1ncccc1C#N ZINC000735581461 667008144 /nfs/dbraw/zinc/00/81/44/667008144.db2.gz IHVUFVIXKVOFDG-UHFFFAOYSA-N 0 0 311.349 0.997 10 30 DCEERN CC(C)(C)OC(=O)N1C[C@@H](CNc2nccnc2C#N)[C@H](O)C1 ZINC000702852573 667011128 /nfs/dbraw/zinc/01/11/28/667011128.db2.gz STUUWPMMCJWJFB-ZYHUDNBSSA-N 0 0 319.365 0.988 10 30 DCEERN C=CCN(CC=C)C(=O)COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000740401653 667742952 /nfs/dbraw/zinc/74/29/52/667742952.db2.gz XAOWXXZKIOGVBD-AGUYFDCRSA-N 0 0 321.373 0.972 10 30 DCEERN C#CCNC(=O)COC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000740422545 667743933 /nfs/dbraw/zinc/74/39/33/667743933.db2.gz PDPYYRZYMYEUHS-UHFFFAOYSA-N 0 0 316.235 0.929 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC)cc2C1=O ZINC000005569525 668148934 /nfs/dbraw/zinc/14/89/34/668148934.db2.gz HBEKYIUOZOOSNO-UHFFFAOYSA-N 0 0 302.286 0.371 10 30 DCEERN C[C@H]1NC(C(=O)N[C@@H](C#N)C2CC2)=NN(c2ccccc2)C1=O ZINC000108829502 670842662 /nfs/dbraw/zinc/84/26/62/670842662.db2.gz LJPSHDHFIKGWQR-MFKMUULPSA-N 0 0 311.345 0.743 10 30 DCEERN COC[C@H](CCO)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000718553188 685305391 /nfs/dbraw/zinc/30/53/91/685305391.db2.gz YGGIRKSZGUCYBR-NSHDSACASA-N 0 0 302.327 0.373 10 30 DCEERN C[S@](=O)C1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000720081599 685311544 /nfs/dbraw/zinc/31/15/44/685311544.db2.gz CBVLDLGILCLPKZ-IBGZPJMESA-N 0 0 316.379 0.887 10 30 DCEERN CC[S@@](=O)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719977143 685311828 /nfs/dbraw/zinc/31/18/28/685311828.db2.gz SZTCKMLRFLFYMR-GOSISDBHSA-N 0 0 304.368 0.744 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C)nn1CC ZINC000726019036 685320471 /nfs/dbraw/zinc/32/04/71/685320471.db2.gz FNOAAGVKJTWAEB-JTQLQIEISA-N 0 0 308.338 0.769 10 30 DCEERN CCS(=O)(=O)N(C)CC(=O)Oc1ccc(C#N)cc1F ZINC000158301207 1180563985 /nfs/dbraw/zinc/56/39/85/1180563985.db2.gz ZBYWATIOMDLBLR-UHFFFAOYSA-N 0 0 300.311 0.884 10 30 DCEERN CC(C)NC(=O)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163069994 772977189 /nfs/dbraw/zinc/97/71/89/772977189.db2.gz QGBTVBGAJCSFRS-UHFFFAOYSA-N 0 0 309.391 0.446 10 30 DCEERN CNC(=O)c1ccn([C@H]2CCCN(c3cnc(C#N)cn3)C2)n1 ZINC000275726633 529952493 /nfs/dbraw/zinc/95/24/93/529952493.db2.gz UHXNADYGQJXMGJ-LBPRGKRZSA-N 0 0 311.349 0.746 10 30 DCEERN N#Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000115314149 185674866 /nfs/dbraw/zinc/67/48/66/185674866.db2.gz FUTRPCRDOAVXLW-UHFFFAOYSA-N 0 0 302.315 0.853 10 30 DCEERN CC(C)[C@H](CNC(=O)c1cc(C#N)cn1C)N1CCOCC1 ZINC000080979474 192206733 /nfs/dbraw/zinc/20/67/33/192206733.db2.gz CFJWLNCKBYVTMB-HNNXBMFYSA-N 0 0 304.394 0.983 10 30 DCEERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cc1 ZINC000119109421 236925723 /nfs/dbraw/zinc/92/57/23/236925723.db2.gz KGTVHGAQYXDJKD-UHFFFAOYSA-N 0 0 307.375 0.742 10 30 DCEERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000155761433 237043727 /nfs/dbraw/zinc/04/37/27/237043727.db2.gz LEJGFTSCLZCDFU-ZYHUDNBSSA-N 0 0 314.345 0.609 10 30 DCEERN N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000157838970 237062212 /nfs/dbraw/zinc/06/22/12/237062212.db2.gz UPHWKACDJMFPAF-ZYHUDNBSSA-N 0 0 307.375 0.881 10 30 DCEERN Cc1cc(N2CCN(C(=O)C(C)(C)C#N)CC2)n2ncnc2n1 ZINC000193715038 237487509 /nfs/dbraw/zinc/48/75/09/237487509.db2.gz MIAHUSPNJJUWJL-UHFFFAOYSA-N 0 0 313.365 0.631 10 30 DCEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1CCO ZINC000188726551 200293972 /nfs/dbraw/zinc/29/39/72/200293972.db2.gz XOMTWHQTIVZCGF-LBPRGKRZSA-N 0 0 309.391 0.245 10 30 DCEERN CCc1nn(C[C@H](C)CS(C)(=O)=O)c(=O)c(C#N)c1CC ZINC000155595387 291220448 /nfs/dbraw/zinc/22/04/48/291220448.db2.gz XULJRZLULHCYMC-JTQLQIEISA-N 0 0 311.407 0.920 10 30 DCEERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000329522525 238631773 /nfs/dbraw/zinc/63/17/73/238631773.db2.gz RELATQJCBJXBFF-GRYCIOLGSA-N 0 0 304.412 0.834 10 30 DCEERN N#C[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCO1 ZINC000363663106 239112628 /nfs/dbraw/zinc/11/26/28/239112628.db2.gz ZBECFULXDFBIEO-QWHCGFSZSA-N 0 0 323.418 0.829 10 30 DCEERN N#C[C@@H]1CN(C(=O)CCOC2CCOCC2)CCN1C1CC1 ZINC000363665838 239113864 /nfs/dbraw/zinc/11/38/64/239113864.db2.gz LPJNCLWFKGDFNF-CQSZACIVSA-N 0 0 307.394 0.771 10 30 DCEERN C[S@@](=O)C1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000366709877 239135839 /nfs/dbraw/zinc/13/58/39/239135839.db2.gz OAARXECFDVESCF-MCMMXHMISA-N 0 0 324.450 0.669 10 30 DCEERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371137180 239181690 /nfs/dbraw/zinc/18/16/90/239181690.db2.gz AEOCCPRNTDWGSR-BPLDGKMQSA-N 0 0 322.409 0.562 10 30 DCEERN CCn1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000371622992 239185611 /nfs/dbraw/zinc/18/56/11/239185611.db2.gz ZSFFCGGLEZUMTA-GFCCVEGCSA-N 0 0 309.395 0.264 10 30 DCEERN N#C[C@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)CCN1C1CC1 ZINC000371622944 239186159 /nfs/dbraw/zinc/18/61/59/239186159.db2.gz ZIIDMEZBSOSXCQ-UONOGXRCSA-N 0 0 313.423 0.557 10 30 DCEERN N#C[C@@H]1CN(C(=O)COc2ccccc2O)CCN1C1CC1 ZINC000372086608 239188041 /nfs/dbraw/zinc/18/80/41/239188041.db2.gz MLVZKPAKXSQGPY-CYBMUJFWSA-N 0 0 301.346 0.970 10 30 DCEERN N#C[C@@H]1COCCN1C(=O)CN1C(=O)CSc2ccccc21 ZINC000408232676 239264013 /nfs/dbraw/zinc/26/40/13/239264013.db2.gz PQTLZVONZLFQJN-LLVKDONJSA-N 0 0 317.370 0.876 10 30 DCEERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)CC(C)(C)CC#N ZINC000408456037 239269531 /nfs/dbraw/zinc/26/95/31/239269531.db2.gz FYRPBWLUYPJSFJ-LLVKDONJSA-N 0 0 301.412 0.809 10 30 DCEERN C=CCCn1cc(C(=O)N2CCN(C(=O)CC#N)CC2)nn1 ZINC000425210271 240312515 /nfs/dbraw/zinc/31/25/15/240312515.db2.gz WGGCUIOHHTWZTQ-UHFFFAOYSA-N 0 0 302.338 0.052 10 30 DCEERN Cc1ncc(S(=O)(=O)N[C@H](CO)CC(F)F)cc1C#N ZINC000489798432 241093535 /nfs/dbraw/zinc/09/35/35/241093535.db2.gz QMRJOXOKAAZUFT-VIFPVBQESA-N 0 0 305.306 0.556 10 30 DCEERN C[C@@H](C(=O)NC(N)=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000064634228 184301491 /nfs/dbraw/zinc/30/14/91/184301491.db2.gz OGALTUDCBDAQQQ-NSHDSACASA-N 0 0 316.365 0.049 10 30 DCEERN COC[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H]1CCCO1 ZINC000370635296 533054830 /nfs/dbraw/zinc/05/48/30/533054830.db2.gz OMUMGDKGMVKXEO-KKUMJFAQSA-N 0 0 322.409 0.562 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@]1(CCO)CCOC1 ZINC000120149033 132139421 /nfs/dbraw/zinc/13/94/21/132139421.db2.gz VIZQFKUHDIABDW-HNNXBMFYSA-N 0 0 324.402 0.934 10 30 DCEERN CCCS(=O)(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC000121512487 132156107 /nfs/dbraw/zinc/15/61/07/132156107.db2.gz RVZMGIWGJQSDRM-UHFFFAOYSA-N 0 0 309.395 0.964 10 30 DCEERN COCCN(CCC#N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697259 395739113 /nfs/dbraw/zinc/73/91/13/395739113.db2.gz XJXXGUBWVRDEJT-ZDUSSCGKSA-N 0 0 303.428 0.520 10 30 DCEERN CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@@H]2/C(N)=N/O)C1 ZINC000093697483 395739195 /nfs/dbraw/zinc/73/91/95/395739195.db2.gz NFTSGNYPHSLCLK-VXGBXAGGSA-N 0 0 318.443 0.259 10 30 DCEERN C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000042541392 395746371 /nfs/dbraw/zinc/74/63/71/395746371.db2.gz GMEMUNCEQQNJCA-UONOGXRCSA-N 0 0 310.442 0.209 10 30 DCEERN CO[C@H](C)CS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000195067666 395814990 /nfs/dbraw/zinc/81/49/90/395814990.db2.gz RLXBHYWXKHJDKC-GFCCVEGCSA-N 0 0 324.406 0.440 10 30 DCEERN N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112725465 395823315 /nfs/dbraw/zinc/82/33/15/395823315.db2.gz DQAMFFBTKMPVIF-CYBMUJFWSA-N 0 0 324.344 0.011 10 30 DCEERN N#C[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CC1 ZINC000108828727 395793772 /nfs/dbraw/zinc/79/37/72/395793772.db2.gz BRETVDMUNDSZDB-UPJWGTAASA-N 0 0 303.362 0.970 10 30 DCEERN N#Cc1cnc(Nc2cnn(CC(=O)N3CCOCC3)c2)cn1 ZINC000125430881 395903244 /nfs/dbraw/zinc/90/32/44/395903244.db2.gz VJJNOZCCTMGXKI-UHFFFAOYSA-N 0 0 313.321 0.147 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000273412158 395920059 /nfs/dbraw/zinc/92/00/59/395920059.db2.gz JBKJWUOHUNYPJP-SECBINFHSA-N 0 0 316.335 0.819 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000273517465 395926830 /nfs/dbraw/zinc/92/68/30/395926830.db2.gz NGYDAJWODYGJKB-GHMZBOCLSA-N 0 0 301.368 0.060 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000273533706 395928156 /nfs/dbraw/zinc/92/81/56/395928156.db2.gz RERNXIJOWDXREJ-GFCCVEGCSA-N 0 0 322.390 0.791 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000053423245 395883396 /nfs/dbraw/zinc/88/33/96/395883396.db2.gz KLAACSXTIFVCIY-AWEZNQCLSA-N 0 0 310.442 0.067 10 30 DCEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1CC(=O)NC1=O ZINC000134707269 395934164 /nfs/dbraw/zinc/93/41/64/395934164.db2.gz FKKJJZYUXABDMN-UHFFFAOYSA-N 0 0 314.345 0.847 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCC(=O)OCC)cc2C1=O ZINC000057299064 395942386 /nfs/dbraw/zinc/94/23/86/395942386.db2.gz IIZHDVCQHQNKAB-UHFFFAOYSA-N 0 0 316.313 0.762 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCc2ccco2)CC1 ZINC000072995071 396140801 /nfs/dbraw/zinc/14/08/01/396140801.db2.gz WUIUNTODIAAIAT-UHFFFAOYSA-N 0 0 306.366 0.409 10 30 DCEERN C=CCNC(=O)CN1CCN(c2cc(C)nc(COC)n2)CC1 ZINC000075041315 396174900 /nfs/dbraw/zinc/17/49/00/396174900.db2.gz LKQBTNYHQMBHGQ-UHFFFAOYSA-N 0 0 319.409 0.356 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2nccs2)CC1 ZINC000078739883 396252833 /nfs/dbraw/zinc/25/28/33/396252833.db2.gz LVFUSDCAFVXHNH-UHFFFAOYSA-N 0 0 309.395 0.595 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183215461 396264882 /nfs/dbraw/zinc/26/48/82/396264882.db2.gz VBGZNUUQVGGSAP-JTQLQIEISA-N 0 0 307.306 0.895 10 30 DCEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)CC1 ZINC000282183118 396269568 /nfs/dbraw/zinc/26/95/68/396269568.db2.gz FOKGNAJQKDAEMD-UHFFFAOYSA-N 0 0 318.425 0.887 10 30 DCEERN N#Cc1ncn(CC(=O)Nc2c[nH]cc(Br)c2=O)n1 ZINC000179405795 396226820 /nfs/dbraw/zinc/22/68/20/396226820.db2.gz IPQITKSALJEFTQ-UHFFFAOYSA-N 0 0 323.110 0.652 10 30 DCEERN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000179767111 396229279 /nfs/dbraw/zinc/22/92/79/396229279.db2.gz FHUYCCIWYQGQPN-UHFFFAOYSA-N 0 0 316.317 0.493 10 30 DCEERN COC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC(C)(C)O1 ZINC000287521918 396405988 /nfs/dbraw/zinc/40/59/88/396405988.db2.gz VPAVTDRVMSQDKN-LLVKDONJSA-N 0 0 314.363 0.966 10 30 DCEERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000190683632 396410467 /nfs/dbraw/zinc/41/04/67/396410467.db2.gz JATXYZUDHKMLEL-JTQLQIEISA-N 0 0 300.318 0.234 10 30 DCEERN CCS(=O)(=O)N(C)CCCNC(=O)c1ccnc(C#N)c1 ZINC000192688778 396435576 /nfs/dbraw/zinc/43/55/76/396435576.db2.gz SORIHGMULUYHGL-UHFFFAOYSA-N 0 0 310.379 0.355 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C)n1 ZINC000515056193 396499040 /nfs/dbraw/zinc/49/90/40/396499040.db2.gz VSNNFZIFJMIRRT-JSGCOSHPSA-N 0 0 303.362 0.714 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)C2(OC)CCCC2)CC1 ZINC000580025901 396484064 /nfs/dbraw/zinc/48/40/64/396484064.db2.gz MMCZTXOHCVYHCL-UHFFFAOYSA-N 0 0 309.410 0.392 10 30 DCEERN C=CCOC[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)OC ZINC000581886615 396590541 /nfs/dbraw/zinc/59/05/41/396590541.db2.gz LXLXSFBTMYBBIP-YPMHNXCESA-N 0 0 321.377 0.939 10 30 DCEERN C[C@@]1(CO)CCCN1C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862387 396669973 /nfs/dbraw/zinc/66/99/73/396669973.db2.gz USGZCAIIMMEADT-INIZCTEOSA-N 0 0 319.336 0.687 10 30 DCEERN COCCN1C(=O)N[C@@H]2CN(c3ccc(C)c(C#N)n3)CC[C@@H]21 ZINC000299741435 396713363 /nfs/dbraw/zinc/71/33/63/396713363.db2.gz FZJOGPVFJLRZRY-KGLIPLIRSA-N 0 0 315.377 0.881 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC000624992270 396742399 /nfs/dbraw/zinc/74/23/99/396742399.db2.gz QYBDBODVZGFRQA-NSHDSACASA-N 0 0 315.381 0.911 10 30 DCEERN N#Cc1ncn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000610883888 396776720 /nfs/dbraw/zinc/77/67/20/396776720.db2.gz WRHFRDHNACSRQS-VXGBXAGGSA-N 0 0 321.406 0.663 10 30 DCEERN C=C(C)[C@H](CO)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000611237153 396841768 /nfs/dbraw/zinc/84/17/68/396841768.db2.gz AEEGTPXAGCOBBS-KBPBESRZSA-N 0 0 312.410 0.657 10 30 DCEERN CN(C[C@@H]1CCCC[C@H]1O)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329375532 396842699 /nfs/dbraw/zinc/84/26/99/396842699.db2.gz KVJJGNYCRANSLP-IGQOVBAYSA-N 0 0 323.397 0.615 10 30 DCEERN C=CCOCCNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000591178793 396884624 /nfs/dbraw/zinc/88/46/24/396884624.db2.gz WNQCPTMPZBTBKS-NSHDSACASA-N 0 0 302.396 0.737 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000625509289 396903505 /nfs/dbraw/zinc/90/35/05/396903505.db2.gz KECVDEUBUGNXCH-LBPRGKRZSA-N 0 0 309.410 0.784 10 30 DCEERN C=CCSCCNC(=O)C(=O)NC[C@H](OC)[C@@H]1CCOC1 ZINC000597217512 396915052 /nfs/dbraw/zinc/91/50/52/396915052.db2.gz DQSXKMZGKDGSBT-NEPJUHHUSA-N 0 0 316.423 0.190 10 30 DCEERN CCN1C(=O)[C@H]2CN(c3nc(C)cc(C#N)n3)CCN2C1=O ZINC000376408391 396923922 /nfs/dbraw/zinc/92/39/22/396923922.db2.gz PCMGGDQXRDDUPD-LLVKDONJSA-N 0 0 300.322 0.129 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000618332358 396966918 /nfs/dbraw/zinc/96/69/18/396966918.db2.gz WFOFQMYXFLWNDE-UHTWSYAYSA-N 0 0 316.423 0.539 10 30 DCEERN C=CCC1(NC(=O)[C@H]2CCN=C3C2=NNN3C)CCOCC1 ZINC000618250513 396941035 /nfs/dbraw/zinc/94/10/35/396941035.db2.gz DPRSLBJLGUXZHR-NSHDSACASA-N 0 0 305.382 0.452 10 30 DCEERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(C#N)n1C ZINC000591664791 396969000 /nfs/dbraw/zinc/96/90/00/396969000.db2.gz IBJQEUKTXPKDBX-HNNXBMFYSA-N 0 0 304.350 0.264 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1=O ZINC000618510081 396987216 /nfs/dbraw/zinc/98/72/16/396987216.db2.gz WWRJWKNRJSECQV-WOPDTQHZSA-N 0 0 319.361 0.516 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(C)CC2(F)F)C1=O ZINC000618603930 396998723 /nfs/dbraw/zinc/99/87/23/396998723.db2.gz 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306.341 0.878 10 30 DCEERN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1=O ZINC000121529900 415809350 /nfs/dbraw/zinc/80/93/50/415809350.db2.gz DVAKVNCIMQRQCO-UHFFFAOYSA-N 0 0 313.766 0.674 10 30 DCEERN C=C(C)CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000126554694 415876925 /nfs/dbraw/zinc/87/69/25/415876925.db2.gz VOFAQXOWGFBMHP-UHFFFAOYSA-N 0 0 301.306 0.293 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000337075850 415905768 /nfs/dbraw/zinc/90/57/68/415905768.db2.gz QKGOCWZYSLAHMY-RWMBFGLXSA-N 0 0 308.378 0.605 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000355289295 415859635 /nfs/dbraw/zinc/85/96/35/415859635.db2.gz CVTQCHMUHFKTHK-VXGBXAGGSA-N 0 0 300.424 0.905 10 30 DCEERN CN1C[C@H](NC(=O)Cc2ccc(OCC#N)cc2)CCC1=O ZINC000133331786 415944232 /nfs/dbraw/zinc/94/42/32/415944232.db2.gz LWDSHOFXILCMBC-CYBMUJFWSA-N 0 0 301.346 0.868 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000297599286 415965633 /nfs/dbraw/zinc/96/56/33/415965633.db2.gz 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/nfs/dbraw/zinc/21/52/61/396215261.db2.gz RNCQQFNJVXJGLY-OAHLLOKOSA-N 0 0 308.382 0.555 10 30 DCEERN COCCS(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185579326 396330496 /nfs/dbraw/zinc/33/04/96/396330496.db2.gz HQGWYLLUTKHSPS-UHFFFAOYSA-N 0 0 307.335 0.527 10 30 DCEERN N#Cc1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)nc1 ZINC000185667695 396332820 /nfs/dbraw/zinc/33/28/20/396332820.db2.gz WIZJVEMWBSUJMC-LLVKDONJSA-N 0 0 300.284 0.998 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C ZINC000185699537 396333202 /nfs/dbraw/zinc/33/32/02/396333202.db2.gz BASOHMBHWQEUFJ-LSDHHAIUSA-N 0 0 315.377 0.819 10 30 DCEERN Cc1cc(N2CCC[C@@H](Nc3cnc(C#N)cn3)C2=O)n(C)n1 ZINC000185500685 396328920 /nfs/dbraw/zinc/32/89/20/396328920.db2.gz LYZNMAFTDJAPLN-GFCCVEGCSA-N 0 0 311.349 0.998 10 30 DCEERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccnc(C#N)c1 ZINC000193077353 396443773 /nfs/dbraw/zinc/44/37/73/396443773.db2.gz WQIVQCHFSFDNHP-LBPRGKRZSA-N 0 0 304.375 0.947 10 30 DCEERN COCCN1CCCN(C[C@@H](O)c2ccc(C#N)cc2)CC1=O 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Cc1nnc(N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C#N)c1C ZINC000596478363 396783609 /nfs/dbraw/zinc/78/36/09/396783609.db2.gz LMLXTHNVTMIKOQ-SECBINFHSA-N 0 0 309.395 0.435 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000610579327 396731433 /nfs/dbraw/zinc/73/14/33/396731433.db2.gz CQHXLHSHGCEYTP-ZUZCIYMTSA-N 0 0 315.333 0.005 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)s1 ZINC000313642995 396771105 /nfs/dbraw/zinc/77/11/05/396771105.db2.gz JQSVVEDROHXOLM-NSHDSACASA-N 0 0 302.377 0.128 10 30 DCEERN C=C[C@H](CO)NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625283863 396828343 /nfs/dbraw/zinc/82/83/43/396828343.db2.gz CVDWHQMTKQSPES-CHWSQXEVSA-N 0 0 303.355 0.980 10 30 DCEERN C=CCOCCNS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000611542144 396884628 /nfs/dbraw/zinc/88/46/28/396884628.db2.gz UJAGVUHMLNKPQT-UHFFFAOYSA-N 0 0 303.336 0.856 10 30 DCEERN CC(C)(CNC(=O)N1CCC(C)(C#N)CC1)NS(C)(=O)=O ZINC000611544205 396884799 /nfs/dbraw/zinc/88/47/99/396884799.db2.gz CVLSGZNCXHXIQB-UHFFFAOYSA-N 0 0 316.427 0.649 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000611684238 396910078 /nfs/dbraw/zinc/91/00/78/396910078.db2.gz IHFSSSSRDOUHKK-ZDUSSCGKSA-N 0 0 310.394 0.913 10 30 DCEERN C=CCSCCNC(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000597218972 396916133 /nfs/dbraw/zinc/91/61/33/396916133.db2.gz WTQCVZSPKQEITF-VIFPVBQESA-N 0 0 308.350 0.562 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000625565658 396926839 /nfs/dbraw/zinc/92/68/39/396926839.db2.gz HIKIRIGRDSNNKU-VXGBXAGGSA-N 0 0 300.399 0.295 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000618332356 396967134 /nfs/dbraw/zinc/96/71/34/396967134.db2.gz WFOFQMYXFLWNDE-DRZSPHRISA-N 0 0 316.423 0.539 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCOC)[C@H]1CCOC1 ZINC000625583706 396933356 /nfs/dbraw/zinc/93/33/56/396933356.db2.gz VWMVCBYGXQAYPP-ZDUSSCGKSA-N 0 0 312.410 0.969 10 30 DCEERN COC[C@@]1(C(N)=O)CCCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000591663687 396968151 /nfs/dbraw/zinc/96/81/51/396968151.db2.gz QAJXJTGUVIAZIN-OAHLLOKOSA-N 0 0 323.299 0.943 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000625615295 396950617 /nfs/dbraw/zinc/95/06/17/396950617.db2.gz VZFWQBIKOXGODX-OLZOCXBDSA-N 0 0 312.410 0.703 10 30 DCEERN C=CC[C@H]1CCCN(C(=O)C(=O)NCCc2cn(C)cn2)C1 ZINC000611946764 396955905 /nfs/dbraw/zinc/95/59/05/396955905.db2.gz FAIZTVMSIAGXQQ-ZDUSSCGKSA-N 0 0 304.394 0.894 10 30 DCEERN C=CCOCCCNC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000618518043 396987562 /nfs/dbraw/zinc/98/75/62/396987562.db2.gz XRKOONLBSUVRGB-UHFFFAOYSA-N 0 0 312.391 0.965 10 30 DCEERN C=CCOCCCNC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000618514442 396987700 /nfs/dbraw/zinc/98/77/00/396987700.db2.gz JWVCSWBZBMNVGO-UHFFFAOYSA-N 0 0 311.382 0.806 10 30 DCEERN C=CCOCCCNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000618526131 396988882 /nfs/dbraw/zinc/98/88/82/396988882.db2.gz MECVQEFCFRYMKH-CYBMUJFWSA-N 0 0 318.439 0.755 10 30 DCEERN N#Cc1cccc(CC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 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DCEERN C=CCNc1ncc(C(=O)NCC(=O)NCc2ccco2)s1 ZINC000353349879 415516240 /nfs/dbraw/zinc/51/62/40/415516240.db2.gz YGJQVLBMPNMFEC-UHFFFAOYSA-N 0 0 320.374 1.380 10 30 DCEERN N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c(F)c1 ZINC000343480309 415613823 /nfs/dbraw/zinc/61/38/23/415613823.db2.gz UIUHMSMDTYUTEO-IUCAKERBSA-N 0 0 320.292 0.930 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)C2CCCC2)C1=O ZINC000287558485 415669039 /nfs/dbraw/zinc/66/90/39/415669039.db2.gz WTVGNTMLWYVYHN-TZMCWYRMSA-N 0 0 321.421 0.927 10 30 DCEERN C#CCC(CC#C)C(=O)NCCN(C)C(=O)C(CC#C)CC#C ZINC000288922382 415698375 /nfs/dbraw/zinc/69/83/75/415698375.db2.gz IDEVLEGUKDKESG-UHFFFAOYSA-N 0 0 310.397 0.887 10 30 DCEERN C=C(C)COCCNC(=O)N(CCO)Cc1ccnn1CC ZINC000353973846 415708710 /nfs/dbraw/zinc/70/87/10/415708710.db2.gz HNSYNTISQWDLAL-UHFFFAOYSA-N 0 0 310.398 1.000 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000289465174 415710539 /nfs/dbraw/zinc/71/05/39/415710539.db2.gz MJNOCQAMMIYVCT-GFCCVEGCSA-N 0 0 313.375 0.617 10 30 DCEERN C#C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000122979479 415839469 /nfs/dbraw/zinc/83/94/69/415839469.db2.gz RWNZLDNBUVXCCR-MRVPVSSYSA-N 0 0 312.303 0.681 10 30 DCEERN N#Cc1cccnc1N1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000121230543 415797002 /nfs/dbraw/zinc/79/70/02/415797002.db2.gz MJASHRHJJGCXNO-OAHLLOKOSA-N 0 0 318.402 0.470 10 30 DCEERN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000354592657 415808484 /nfs/dbraw/zinc/80/84/84/415808484.db2.gz BPDDVHCUYGNMGV-GFCCVEGCSA-N 0 0 317.455 0.976 10 30 DCEERN C=CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000336798208 415815950 /nfs/dbraw/zinc/81/59/50/415815950.db2.gz DCFABNUNAPGVKI-VXGBXAGGSA-N 0 0 309.453 0.342 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000122243714 415828350 /nfs/dbraw/zinc/82/83/50/415828350.db2.gz AETATMOPRFEDRB-UHFFFAOYSA-N 0 0 320.393 0.221 10 30 DCEERN C[C@@H](CNS(=O)(=O)c1ccccc1C#N)N1CCOCC1 ZINC000122314967 415829285 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415858894 /nfs/dbraw/zinc/85/88/94/415858894.db2.gz YBTRHDBULKTREN-LBPRGKRZSA-N 0 0 316.423 0.286 10 30 DCEERN CS(=O)(=O)NCC[C@@H]1CCCCN1c1cnc(C#N)cn1 ZINC000133482866 415946948 /nfs/dbraw/zinc/94/69/48/415946948.db2.gz OIMJIAXQIHWTCV-LBPRGKRZSA-N 0 0 309.395 0.646 10 30 DCEERN C=CCSCCNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000344560503 415952041 /nfs/dbraw/zinc/95/20/41/415952041.db2.gz RHWOKWQECNTKMI-UHFFFAOYSA-N 0 0 301.393 0.378 10 30 DCEERN CC#CCCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337686757 415995713 /nfs/dbraw/zinc/99/57/13/415995713.db2.gz QOOWBJCDLVUAGQ-NEPJUHHUSA-N 0 0 301.412 0.417 10 30 DCEERN C=CCOCCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296776976 415935970 /nfs/dbraw/zinc/93/59/70/415935970.db2.gz RTWMMGDHTGJYDF-UHFFFAOYSA-N 0 0 312.303 0.942 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000172611993 416047046 /nfs/dbraw/zinc/04/70/46/416047046.db2.gz WWHSMUYMUACUDC-NWDGAFQWSA-N 0 0 307.375 0.881 10 30 DCEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337728102 416002624 /nfs/dbraw/zinc/00/26/24/416002624.db2.gz MSKIUWWWEMLTJB-JHJVBQTASA-N 0 0 318.439 0.802 10 30 DCEERN C=CCN(C(=O)N1CC[C@H](COC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000337951778 416025960 /nfs/dbraw/zinc/02/59/60/416025960.db2.gz KCMCGSOHRIJFIQ-QWHCGFSZSA-N 0 0 316.423 0.750 10 30 DCEERN C[C@@H]1C[C@@H](CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329179884 416155186 /nfs/dbraw/zinc/15/51/86/416155186.db2.gz MVNUCABGAPISEP-MROQNXINSA-N 0 0 309.370 0.537 10 30 DCEERN Cc1nnc([C@@H]2CN(C(=O)c3cc(C#N)cn3C)CCO2)[nH]1 ZINC000176196819 416120862 /nfs/dbraw/zinc/12/08/62/416120862.db2.gz NAIVKYCNNZKKGH-LBPRGKRZSA-N 0 0 300.322 0.537 10 30 DCEERN CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329199112 416156456 /nfs/dbraw/zinc/15/64/56/416156456.db2.gz UXGBACBRBYLHRI-DTWKUNHWSA-N 0 0 322.325 0.345 10 30 DCEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)Nc1ccon1 ZINC000328636832 416124864 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Cc1ccc(C#N)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000179524868 416188142 /nfs/dbraw/zinc/18/81/42/416188142.db2.gz HUXSAGDGPRCZTG-AWEZNQCLSA-N 0 0 318.377 0.681 10 30 DCEERN CN1CN(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1=O ZINC000329855028 416191681 /nfs/dbraw/zinc/19/16/81/416191681.db2.gz SZQQZSQJDWRMQF-UHFFFAOYSA-N 0 0 302.334 0.592 10 30 DCEERN C[C@@H](C(=O)N[C@@H](CC(N)=O)c1ccccc1)n1cnc(C#N)n1 ZINC000358466034 416241942 /nfs/dbraw/zinc/24/19/42/416241942.db2.gz HXXSMCQRQNPELP-JQWIXIFHSA-N 0 0 312.333 0.444 10 30 DCEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000330919173 416248434 /nfs/dbraw/zinc/24/84/34/416248434.db2.gz YEDDEMAQBVNBNI-LOWVWBTDSA-N 0 0 304.412 0.148 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000350261816 416266757 /nfs/dbraw/zinc/26/67/57/416266757.db2.gz GENXQRPTCWTMJQ-GRYCIOLGSA-N 0 0 305.396 0.575 10 30 DCEERN C#CCOCCC(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O ZINC000189948601 416274043 /nfs/dbraw/zinc/27/40/43/416274043.db2.gz 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ZINC000424790911 416669014 /nfs/dbraw/zinc/66/90/14/416669014.db2.gz PWHFSTLVWTZCNU-UHFFFAOYSA-N 0 0 306.366 0.629 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000614872043 416718590 /nfs/dbraw/zinc/71/85/90/416718590.db2.gz GQOFUHCIGDBYHJ-HUUCEWRRSA-N 0 0 321.421 0.928 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000614872044 416719466 /nfs/dbraw/zinc/71/94/66/416719466.db2.gz GQOFUHCIGDBYHJ-LSDHHAIUSA-N 0 0 321.421 0.928 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)c1cccnc1 ZINC000614880387 416720497 /nfs/dbraw/zinc/72/04/97/416720497.db2.gz NYNBEBROVWMEBE-CABCVRRESA-N 0 0 305.378 0.745 10 30 DCEERN C=C[C@H](O)C(=O)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000614934905 416728971 /nfs/dbraw/zinc/72/89/71/416728971.db2.gz MUWNSSDGNLTZSQ-SKDRFNHKSA-N 0 0 303.318 0.925 10 30 DCEERN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1)n1cnc(C#N)n1 ZINC000443185584 416733536 /nfs/dbraw/zinc/73/35/36/416733536.db2.gz ZBIFUCQXIUYUIN-QMMMGPOBSA-N 0 0 311.305 0.942 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000425908964 416735312 /nfs/dbraw/zinc/73/53/12/416735312.db2.gz LLUXEPKLKNCJNP-YDHLFZDLSA-N 0 0 322.405 0.721 10 30 DCEERN C=CCNC(=O)CNC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000623862092 416907106 /nfs/dbraw/zinc/90/71/06/416907106.db2.gz LUOHUQUAMPUNOH-VIFPVBQESA-N 0 0 319.287 0.588 10 30 DCEERN Cc1noc(C)c1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371621320 416918141 /nfs/dbraw/zinc/91/81/41/416918141.db2.gz MPTPPSYMZUOKKE-GFCCVEGCSA-N 0 0 310.379 0.652 10 30 DCEERN C=CCCOCCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000632129558 416922879 /nfs/dbraw/zinc/92/28/79/416922879.db2.gz LFVWBCGBTGBKFU-UHFFFAOYSA-N 0 0 306.366 0.636 10 30 DCEERN C=CCOCCNC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000372502238 416934410 /nfs/dbraw/zinc/93/44/10/416934410.db2.gz GKUWWRDSFCTTSU-UHFFFAOYSA-N 0 0 308.367 1.561 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000372597894 416937828 /nfs/dbraw/zinc/93/78/28/416937828.db2.gz BKUCRVUGCJWBKI-UHFFFAOYSA-N 0 0 321.366 0.660 10 30 DCEERN Cn1ncc2c1C[C@H](C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 ZINC000373989820 416972271 /nfs/dbraw/zinc/97/22/71/416972271.db2.gz LRWUTUMEIBNTNE-DOMZBBRYSA-N 0 0 313.405 0.724 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ccc3c(n2)CCC3=O)CC1 ZINC000565386396 416974223 /nfs/dbraw/zinc/97/42/23/416974223.db2.gz NIISYKFGVKNORC-UHFFFAOYSA-N 0 0 314.389 0.635 10 30 DCEERN C=C(CC)CNC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000624178646 416974721 /nfs/dbraw/zinc/97/47/21/416974721.db2.gz WHGBJXKFUQPVDL-LBPRGKRZSA-N 0 0 303.428 0.923 10 30 DCEERN C=CCN1CC[C@H](N(C)S(=O)(=O)CC2(OC)CCC2)C1=O ZINC000632301748 417012140 /nfs/dbraw/zinc/01/21/40/417012140.db2.gz MEANYEDGKRADNL-LBPRGKRZSA-N 0 0 316.423 0.604 10 30 DCEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000624464529 417041799 /nfs/dbraw/zinc/04/17/99/417041799.db2.gz CWXUGSTZQYIMJP-LLVKDONJSA-N 0 0 303.428 0.922 10 30 DCEERN C=CCn1c(-c2cn[nH]c2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000624850047 417123779 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C=CC[C@@H](Cc1ccccc1)NC(=O)CN1CC(=O)NC1=O ZINC000412838237 417223961 /nfs/dbraw/zinc/22/39/61/417223961.db2.gz JOHJJJFPQNADME-ZDUSSCGKSA-N 0 0 301.346 0.842 10 30 DCEERN CNC(=O)NC(=O)CCN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000408452442 417163679 /nfs/dbraw/zinc/16/36/79/417163679.db2.gz PMHYVGJHIIMUIA-WFASDCNBSA-N 0 0 308.382 0.759 10 30 DCEERN C=C1CC(C)(C(=O)N2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000632808367 417267363 /nfs/dbraw/zinc/26/73/63/417267363.db2.gz QBGRIEPHZAXPID-UHFFFAOYSA-N 0 0 301.412 0.388 10 30 DCEERN C=C[C@@](C)(O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000620721414 417269728 /nfs/dbraw/zinc/26/97/28/417269728.db2.gz DPLWBAFFARFDAN-SJLPKXTDSA-N 0 0 317.433 0.856 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1=O ZINC000632845400 417279424 /nfs/dbraw/zinc/27/94/24/417279424.db2.gz HHNPBOJUVAVRGM-LLVKDONJSA-N 0 0 319.361 0.958 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN(CCc2cnccn2)CC1 ZINC000632713316 417235487 /nfs/dbraw/zinc/23/54/87/417235487.db2.gz XOAHKMDAFXGHIR-UHFFFAOYSA-N 0 0 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CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000369948408 528716108 /nfs/dbraw/zinc/71/61/08/528716108.db2.gz MTEOAGVZLSLXKQ-YVECIDJPSA-N 0 0 301.412 0.870 10 30 DCEERN C[C@H](NC([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCCO1 ZINC000329078237 546042974 /nfs/dbraw/zinc/04/29/74/546042974.db2.gz QJESDEQNKBWXSH-WUHRBBMRSA-N 0 0 309.370 0.679 10 30 DCEERN COc1cccc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000329134933 546043435 /nfs/dbraw/zinc/04/34/35/546043435.db2.gz QHFFIJBDZMSKSO-KGLIPLIRSA-N 0 0 320.393 0.909 10 30 DCEERN O=C(NCCN1CCSCC1)N1CCc2cncnc2C1 ZINC000329255069 546045441 /nfs/dbraw/zinc/04/54/41/546045441.db2.gz BHHPDSXCWHWERS-UHFFFAOYSA-N 0 0 307.423 0.798 10 30 DCEERN CCc1nc2n(n1)C[C@H]([NH+]=C([O-])NCCc1nc(C)no1)CC2 ZINC000329305987 546046890 /nfs/dbraw/zinc/04/68/90/546046890.db2.gz OZLWCTUMRVMPJM-SNVBAGLBSA-N 0 0 319.369 0.593 10 30 DCEERN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCCCO2)nn1 ZINC000329605288 546051728 /nfs/dbraw/zinc/05/17/28/546051728.db2.gz HIRACXJGUVWVAE-VXGBXAGGSA-N 0 0 311.342 0.306 10 30 DCEERN O=C(CN1CCS(=O)(=O)CC1)Nc1cccc2[nH]cnc21 ZINC000329641367 546052979 /nfs/dbraw/zinc/05/29/79/546052979.db2.gz ZSSSULSLIXBYGX-UHFFFAOYSA-N 0 0 308.363 0.881 10 30 DCEERN O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cnc2ccccn2c1=O ZINC000329717504 546053915 /nfs/dbraw/zinc/05/39/15/546053915.db2.gz XROUIUALNHWINH-SNVBAGLBSA-N 0 0 321.358 0.576 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C)c1 ZINC000179083394 658092739 /nfs/dbraw/zinc/09/27/39/658092739.db2.gz MNCJFGKPVWOWDV-ZDUSSCGKSA-N 0 0 301.346 0.493 10 30 DCEERN CCOCCCNC(=O)[C@H](C#N)C(=O)CCc1ccnn1C ZINC000123206999 659414207 /nfs/dbraw/zinc/41/42/07/659414207.db2.gz QMGJKDQARKTQKM-CYBMUJFWSA-N 0 0 306.366 0.604 10 30 DCEERN C#CCCCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000173320939 664628408 /nfs/dbraw/zinc/62/84/08/664628408.db2.gz ZDHYXMJJHJLZBK-KGLIPLIRSA-N 0 0 321.333 0.702 10 30 DCEERN CC(=O)NCCCCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732650392 664950076 /nfs/dbraw/zinc/95/00/76/664950076.db2.gz QCKKFYNTBVPNFU-HNNXBMFYSA-N 0 0 306.410 0.882 10 30 DCEERN N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCN1C1CC1 ZINC000732650435 664950125 /nfs/dbraw/zinc/95/01/25/664950125.db2.gz RDWBFXSZUXMGOC-BXUZGUMPSA-N 0 0 302.378 0.196 10 30 DCEERN Cc1nnc2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn12 ZINC000732648761 664950300 /nfs/dbraw/zinc/95/03/00/664950300.db2.gz ZBXOSVSAJVLLKZ-AWEZNQCLSA-N 0 0 310.361 0.850 10 30 DCEERN C=CCn1nnn(CN2CCN(C3CC3)[C@H](C#N)C2)c1=S ZINC000732666188 664951000 /nfs/dbraw/zinc/95/10/00/664951000.db2.gz KYGXTWUEPTWEHC-GFCCVEGCSA-N 0 0 305.411 0.625 10 30 DCEERN CC(C)CCN1C(=O)C[C@@H](N2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000732669059 664951012 /nfs/dbraw/zinc/95/10/12/664951012.db2.gz NTUCVZKWMLGLFS-LSDHHAIUSA-N 0 0 318.421 0.832 10 30 DCEERN COCCn1cnn(CN2CCN(C3CC3)[C@@H](C#N)C2)c1=S ZINC000732666076 664951199 /nfs/dbraw/zinc/95/11/99/664951199.db2.gz GWLZLWPZGUMQQV-ZDUSSCGKSA-N 0 0 322.438 0.690 10 30 DCEERN N#C[C@@H]1CN([C@H]2CC(=O)N(c3ccccc3)C2=O)CCN1C1CC1 ZINC000732670313 664951471 /nfs/dbraw/zinc/95/14/71/664951471.db2.gz ZBCFUVBAFJQJPK-CVEARBPZSA-N 0 0 324.384 0.991 10 30 DCEERN C[C@@H](Cn1cccn1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732674788 664951665 /nfs/dbraw/zinc/95/16/65/664951665.db2.gz SHEFHCXBTFGLGP-GXTWGEPZSA-N 0 0 302.382 0.653 10 30 DCEERN Cc1noc([C@@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000732699473 664953028 /nfs/dbraw/zinc/95/30/28/664953028.db2.gz ADVVHIKEIQNWLH-BXKDBHETSA-N 0 0 304.354 0.821 10 30 DCEERN C#CCCNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000733247290 666358382 /nfs/dbraw/zinc/35/83/82/666358382.db2.gz MNXMBAQEGRCCAP-UHFFFAOYSA-N 0 0 305.359 0.207 10 30 DCEERN CO[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F ZINC000733352563 666500947 /nfs/dbraw/zinc/50/09/47/666500947.db2.gz HKTBWXDZLNOCQR-QWRGUYRKSA-N 0 0 320.315 0.945 10 30 DCEERN C=CCc1ccc(OCC(=O)NCCNC(N)=O)c(OC)c1 ZINC000735811973 667036116 /nfs/dbraw/zinc/03/61/16/667036116.db2.gz DNNWTDYJNCZHLP-UHFFFAOYSA-N 0 0 307.350 0.587 10 30 DCEERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(C#N)n2C)cn1 ZINC000862922615 667092464 /nfs/dbraw/zinc/09/24/64/667092464.db2.gz YJJGJNJYBMLOSO-GXTWGEPZSA-N 0 0 315.333 0.206 10 30 DCEERN N#CC1(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000706114277 667401627 /nfs/dbraw/zinc/40/16/27/667401627.db2.gz JJQHIEOLEIFNOW-SNVBAGLBSA-N 0 0 302.421 0.859 10 30 DCEERN C#CC1(O)CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000707931465 667440900 /nfs/dbraw/zinc/44/09/00/667440900.db2.gz AKIRMWHIJRNXGT-UHFFFAOYSA-N 0 0 300.767 0.884 10 30 DCEERN Cc1nnc(SCCS(=O)(=O)c2cccc(C#N)c2)n1N ZINC000130273266 669601388 /nfs/dbraw/zinc/60/13/88/669601388.db2.gz GCYZPIPKAVDMSJ-UHFFFAOYSA-N 0 0 323.403 0.738 10 30 DCEERN C#CCOCCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000158526445 669926599 /nfs/dbraw/zinc/92/65/99/669926599.db2.gz SQJWCDWJQHTDBA-KGLIPLIRSA-N 0 0 307.346 0.970 10 30 DCEERN CC(C)[C@@H](C#N)OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000080385791 670300069 /nfs/dbraw/zinc/30/00/69/670300069.db2.gz LULCZFOPQOPWNT-GFCCVEGCSA-N 0 0 301.302 0.781 10 30 DCEERN COCC[C@H](CO)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000718550091 685305320 /nfs/dbraw/zinc/30/53/20/685305320.db2.gz JEWXKBKVVUHIRN-LLVKDONJSA-N 0 0 302.327 0.373 10 30 DCEERN COCC[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000718550094 685305347 /nfs/dbraw/zinc/30/53/47/685305347.db2.gz JEWXKBKVVUHIRN-NSHDSACASA-N 0 0 302.327 0.373 10 30 DCEERN O=C(Cn1ncc(=O)c2ccccc21)NC[C@H]1COCCO1 ZINC000328764238 1157809631 /nfs/dbraw/zinc/80/96/31/1157809631.db2.gz ZWKUYIDSEVYBGW-NSHDSACASA-N 0 0 303.318 0.768 10 30 DCEERN C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000384195983 1158194058 /nfs/dbraw/zinc/19/40/58/1158194058.db2.gz XZJHMWIKWOAJED-LBPRGKRZSA-N 0 0 316.404 0.414 10 30 DCEERN C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC ZINC000282928269 1187959920 /nfs/dbraw/zinc/95/99/20/1187959920.db2.gz IEMLMVCUQBXVSX-UHFFFAOYSA-N 0 0 305.382 0.620 10 30 DCEERN N#Cc1cc(Br)cnc1N[C@H]1CCC(=O)NC1=O ZINC000310874665 1190390883 /nfs/dbraw/zinc/39/08/83/1190390883.db2.gz GQAHXFNGZPLBRB-QMMMGPOBSA-N 0 0 309.123 0.933 10 30 DCEERN Cn1cc(/C=C\C(=O)OCC(C)(C)CCC#N)c(=O)n(C)c1=O ZINC000588616865 747548136 /nfs/dbraw/zinc/54/81/36/747548136.db2.gz YAENJORKGLZYRG-SREVYHEPSA-N 0 0 319.361 0.970 10 30 DCEERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)o3)[C@@H]2C1 ZINC000286598544 219075419 /nfs/dbraw/zinc/07/54/19/219075419.db2.gz GVOUBYFHRQBZQL-NEPJUHHUSA-N 0 0 311.363 0.245 10 30 DCEERN C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000272796099 210198562 /nfs/dbraw/zinc/19/85/62/210198562.db2.gz CKOZFZXSQLATTL-ZDUSSCGKSA-N 0 0 313.423 0.243 10 30 DCEERN CN(CC#Cc1ccccc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000192086173 529823235 /nfs/dbraw/zinc/82/32/35/529823235.db2.gz VCNATNINOQQJOQ-OAHLLOKOSA-N 0 0 320.414 0.273 10 30 DCEERN C=CCSc1nc2nnc3c(CC(=O)OC)nn(C)c3n2n1 ZINC000072462369 191172466 /nfs/dbraw/zinc/17/24/66/191172466.db2.gz GOFUOFOULRCQEE-UHFFFAOYSA-N 0 0 319.350 0.400 10 30 DCEERN N#Cc1ncn(CC(=O)NCCOc2ccc(F)cc2F)n1 ZINC000178538325 237230034 /nfs/dbraw/zinc/23/00/34/237230034.db2.gz FGEPPXBVHJTMDH-UHFFFAOYSA-N 0 0 307.260 0.623 10 30 DCEERN CCn1cc([C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)cn1 ZINC000189223155 237391921 /nfs/dbraw/zinc/39/19/21/237391921.db2.gz FGHGNOJQGJOOCF-ZDUSSCGKSA-N 0 0 324.406 0.910 10 30 DCEERN N#C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)CCO1 ZINC000264449568 238196582 /nfs/dbraw/zinc/19/65/82/238196582.db2.gz CPAMVPOJIROSFV-LLVKDONJSA-N 0 0 317.370 0.876 10 30 DCEERN N#C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)CCN1C1CC1 ZINC000369462765 239168996 /nfs/dbraw/zinc/16/89/96/239168996.db2.gz MKORDHHPQYUSKD-KRWDZBQOSA-N 0 0 323.404 0.894 10 30 DCEERN N#C[C@H]1CN(C(=O)c2ccccc2-n2cnnn2)CCN1C1CC1 ZINC000370967634 239180238 /nfs/dbraw/zinc/18/02/38/239180238.db2.gz HMTVLDOQBWBWET-ZDUSSCGKSA-N 0 0 323.360 0.475 10 30 DCEERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370996115 239180904 /nfs/dbraw/zinc/18/09/04/239180904.db2.gz CIISQZTWCDHOHZ-BXUZGUMPSA-N 0 0 316.361 0.597 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCCO[C@@H]2CCOC2)CCN1C1CC1 ZINC000370376470 239175263 /nfs/dbraw/zinc/17/52/63/239175263.db2.gz BBXCJYHHMUPOGQ-HUUCEWRRSA-N 0 0 322.409 0.564 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000375708420 239222021 /nfs/dbraw/zinc/22/20/21/239222021.db2.gz UUJNMXPYKDDVTL-NEPJUHHUSA-N 0 0 312.399 0.394 10 30 DCEERN Cc1nnc([C@H]2CCCCN2S(=O)(=O)N(C)CCC#N)[nH]1 ZINC000407976297 239257799 /nfs/dbraw/zinc/25/77/99/239257799.db2.gz KKMFHTLPZOGYBF-LLVKDONJSA-N 0 0 312.399 0.730 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000408114345 239261560 /nfs/dbraw/zinc/26/15/60/239261560.db2.gz DQLYOASMLPSIOC-ZYHUDNBSSA-N 0 0 315.395 0.145 10 30 DCEERN C=CCN1c2ccccc2/C(=c2/sc3ncnn3c2=O)C1=O ZINC000006562629 181355325 /nfs/dbraw/zinc/35/53/25/181355325.db2.gz WYDQKSSSALLDNP-QXMHVHEDSA-N 0 0 310.338 0.602 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC000424929240 240271997 /nfs/dbraw/zinc/27/19/97/240271997.db2.gz APWVSQNJJCTIOO-SDDRHHMPSA-N 0 0 304.412 0.268 10 30 DCEERN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2cnc(C#N)cn2)C1 ZINC000274626830 211771491 /nfs/dbraw/zinc/77/14/91/211771491.db2.gz WPIYHFNTPMSFKX-NWDGAFQWSA-N 0 0 303.366 0.716 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC ZINC000273456565 210789141 /nfs/dbraw/zinc/78/91/41/210789141.db2.gz HCPLXYZJGWQZCZ-TUAOUCFPSA-N 0 0 300.424 0.987 10 30 DCEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000407952875 285045824 /nfs/dbraw/zinc/04/58/24/285045824.db2.gz JXEQMDDCORWAGO-JHJVBQTASA-N 0 0 303.428 0.806 10 30 DCEERN COC(=O)C(C)(C)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000367856708 533128433 /nfs/dbraw/zinc/12/84/33/533128433.db2.gz MQRRMVDRBLLALJ-CYBMUJFWSA-N 0 0 322.409 0.957 10 30 DCEERN COC(=O)C12CCC(C(=O)N3CC(O)(CC#N)C3)(CC1)CC2 ZINC000408051209 533259356 /nfs/dbraw/zinc/25/93/56/533259356.db2.gz GZWMCBRDCPIADK-UHFFFAOYSA-N 0 0 306.362 0.987 10 30 DCEERN COc1ccc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nc1 ZINC000366059905 533439632 /nfs/dbraw/zinc/43/96/32/533439632.db2.gz XSBOTJNEHDZAOW-AWEZNQCLSA-N 0 0 300.362 0.831 10 30 DCEERN O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC2(C1)CCCOC2 ZINC000329370548 304789311 /nfs/dbraw/zinc/78/93/11/304789311.db2.gz ITBLZTYDKHFVEX-NSHDSACASA-N 0 0 302.396 0.590 10 30 DCEERN N#Cc1c(N2CCC[C@](O)(Cn3ccnn3)C2)nc2ccccn12 ZINC000284874633 131117913 /nfs/dbraw/zinc/11/79/13/131117913.db2.gz YWXISPSXVYLHLR-MRXNPFEDSA-N 0 0 323.360 0.829 10 30 DCEERN C=CCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(F)c1 ZINC000016630707 395690582 /nfs/dbraw/zinc/69/05/82/395690582.db2.gz QQVUERWESACDBH-UHFFFAOYSA-N 0 0 322.340 0.708 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N3CCNC(=O)C3)cc2C1=O ZINC000023787337 395692612 /nfs/dbraw/zinc/69/26/12/395692612.db2.gz JMQRKYYOCVYXDQ-UHFFFAOYSA-N 0 0 313.313 0.041 10 30 DCEERN N#Cc1ccccc1OCC(=O)NCC(=O)NCc1ccco1 ZINC000030554165 395703055 /nfs/dbraw/zinc/70/30/55/395703055.db2.gz NJACUWQWSMNLQP-UHFFFAOYSA-N 0 0 313.313 0.963 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NCCCCC)CC1 ZINC000042541466 395746242 /nfs/dbraw/zinc/74/62/42/395746242.db2.gz LMXAKRLMLWCGST-HNNXBMFYSA-N 0 0 324.469 0.601 10 30 DCEERN CN(C)C(=O)C1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000042979396 395751210 /nfs/dbraw/zinc/75/12/10/395751210.db2.gz NNVDHXJYJAPBOM-MRXNPFEDSA-N 0 0 306.410 0.595 10 30 DCEERN CS(=O)(=O)OCCc1ncsc1COS(C)(=O)=O ZINC000114492117 395835848 /nfs/dbraw/zinc/83/58/48/395835848.db2.gz OLSVAKMJHKINQS-UHFFFAOYSA-N 0 0 315.394 0.138 10 30 DCEERN CS(=O)(=O)N[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000116888855 395848689 /nfs/dbraw/zinc/84/86/89/395848689.db2.gz ZUXDWBZILLXYIQ-ZDUSSCGKSA-N 0 0 309.391 0.561 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000273557121 395929452 /nfs/dbraw/zinc/92/94/52/395929452.db2.gz XGMFNJLPPGDZQV-VIFPVBQESA-N 0 0 316.335 0.819 10 30 DCEERN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000128393929 395918518 /nfs/dbraw/zinc/91/85/18/395918518.db2.gz 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/nfs/dbraw/zinc/48/67/38/396486738.db2.gz IVSNBZSKRUMAEZ-UHFFFAOYSA-N 0 0 321.406 0.685 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000581247271 396537819 /nfs/dbraw/zinc/53/78/19/396537819.db2.gz TTZPDEYFKLIYSC-RYUDHWBXSA-N 0 0 302.334 0.203 10 30 DCEERN C=CCCSCCNC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000595725404 396652140 /nfs/dbraw/zinc/65/21/40/396652140.db2.gz WQASHWJBDNWKNE-NSHDSACASA-N 0 0 321.468 0.758 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CC=CCC2)C1=O ZINC000541337936 396610320 /nfs/dbraw/zinc/61/03/20/396610320.db2.gz SONLUOHNIJVEKU-GFCCVEGCSA-N 0 0 319.361 0.778 10 30 DCEERN C=CCN1CC[C@H](N(C)[C@H](CCC(=O)OC)C(=O)OC)C1=O ZINC000595472886 396613883 /nfs/dbraw/zinc/61/38/83/396613883.db2.gz HLWZHWRSIWUSIC-NWDGAFQWSA-N 0 0 312.366 0.200 10 30 DCEERN CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000586859700 396669149 /nfs/dbraw/zinc/66/91/49/396669149.db2.gz FRNHGJTVIFKRIV-CYBMUJFWSA-N 0 0 319.336 0.951 10 30 DCEERN CN(CC(=O)NCCn1cnc(C#N)n1)c1ccc(Cl)cn1 ZINC000588020897 396675602 /nfs/dbraw/zinc/67/56/02/396675602.db2.gz GSJFRFKQFWRTKU-UHFFFAOYSA-N 0 0 319.756 0.451 10 30 DCEERN N#CCCCS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374728589 396682529 /nfs/dbraw/zinc/68/25/29/396682529.db2.gz GUNSZBOJLAZOLT-CHWSQXEVSA-N 0 0 316.423 0.777 10 30 DCEERN C=CCN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@@H](C)COC ZINC000617581593 396758799 /nfs/dbraw/zinc/75/87/99/396758799.db2.gz UUIMHZUDIUQKBA-JTQLQIEISA-N 0 0 313.379 0.392 10 30 DCEERN C=CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](C)COC ZINC000617577188 396759234 /nfs/dbraw/zinc/75/92/34/396759234.db2.gz JSCRLCLPSSHEDK-NSHDSACASA-N 0 0 306.428 0.754 10 30 DCEERN Cc1ncc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc1C#N ZINC000312586447 396766368 /nfs/dbraw/zinc/76/63/68/396766368.db2.gz QGXSNSBVCOMNNY-VIFPVBQESA-N 0 0 309.269 0.463 10 30 DCEERN N#Cc1ccc(CNC(=O)c2coc(S(N)(=O)=O)c2)c(F)c1 ZINC000611140210 396822953 /nfs/dbraw/zinc/82/29/53/396822953.db2.gz MBCXKKXAQORVSW-UHFFFAOYSA-N 0 0 323.305 0.868 10 30 DCEERN C=CC[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)C1 ZINC000625349727 396843333 /nfs/dbraw/zinc/84/33/33/396843333.db2.gz FJLOBDAUSDAQPC-NSHDSACASA-N 0 0 310.441 0.154 10 30 DCEERN O=C1C[C@@]2(CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C2)CN1 ZINC000329494576 396845781 /nfs/dbraw/zinc/84/57/81/396845781.db2.gz UOMPVJZFGHKZDR-WDMOLILDSA-N 0 0 320.353 0.184 10 30 DCEERN N#Cc1ccc(CNC(=O)NCc2cc(C(N)=O)no2)c(F)c1 ZINC000611041832 396811648 /nfs/dbraw/zinc/81/16/48/396811648.db2.gz HBJULOGLPLZPFK-UHFFFAOYSA-N 0 0 317.280 0.784 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000600372188 396811875 /nfs/dbraw/zinc/81/18/75/396811875.db2.gz PZNWFZXEVDZDSB-RTXFEEFZSA-N 0 0 312.366 0.246 10 30 DCEERN C=C[C@H](NC[C@H]1CN(Cc2ccncc2)CCO1)C(=O)OC ZINC000600617565 396901618 /nfs/dbraw/zinc/90/16/18/396901618.db2.gz MIOVRHLWKWCAFI-GJZGRUSLSA-N 0 0 305.378 0.600 10 30 DCEERN CC#CCCn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O ZINC000600608614 396899878 /nfs/dbraw/zinc/89/98/78/396899878.db2.gz 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396965787 /nfs/dbraw/zinc/96/57/87/396965787.db2.gz WULMAVAYYFLIJT-MNOVXSKESA-N 0 0 312.395 0.550 10 30 DCEERN C=CCOCCCNC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000618516572 396987281 /nfs/dbraw/zinc/98/72/81/396987281.db2.gz CBOJKDAMHYWMIQ-UHFFFAOYSA-N 0 0 312.391 0.917 10 30 DCEERN C=CCOCCCNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000618525555 396988982 /nfs/dbraw/zinc/98/89/82/396988982.db2.gz FBJVYGOZHBHDLM-LBPRGKRZSA-N 0 0 319.423 0.678 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCO[C@@H](COCC)C1 ZINC000625741978 396995261 /nfs/dbraw/zinc/99/52/61/396995261.db2.gz MSGULOTUKPPDRH-CYBMUJFWSA-N 0 0 312.410 0.969 10 30 DCEERN C=C[C@](C)(O)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000612172056 397010735 /nfs/dbraw/zinc/01/07/35/397010735.db2.gz OPXRWECTUMQOIY-HNNXBMFYSA-N 0 0 302.334 0.829 10 30 DCEERN CNC(=O)C[C@@]1(O)CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000591670879 396971771 /nfs/dbraw/zinc/97/17/71/396971771.db2.gz NEIJLNOMRLKKTB-INIZCTEOSA-N 0 0 307.394 0.950 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000630620691 397065381 /nfs/dbraw/zinc/06/53/81/397065381.db2.gz KKNLJGKMKYTMPZ-MGPQQGTHSA-N 0 0 309.410 0.246 10 30 DCEERN C=CCC[C@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)OCC ZINC000597731459 397077648 /nfs/dbraw/zinc/07/76/48/397077648.db2.gz BTZZLWKCHPOIPX-ZDUSSCGKSA-N 0 0 323.393 0.901 10 30 DCEERN CC#CC[C@H](CO)NS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592110265 397095605 /nfs/dbraw/zinc/09/56/05/397095605.db2.gz BGEYGVQVDHYBGA-OAHLLOKOSA-N 0 0 306.387 0.946 10 30 DCEERN C=CCOc1cccnc1C(=O)N[C@@H](CO)CC(=O)OCC ZINC000597681939 397060912 /nfs/dbraw/zinc/06/09/12/397060912.db2.gz XMMXWTJPSRNTQZ-LLVKDONJSA-N 0 0 308.334 0.690 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(C2CCN(S(C)(=O)=O)CC2)C1=O ZINC000630966343 397147743 /nfs/dbraw/zinc/14/77/43/397147743.db2.gz WQZBHNFIXVBNLF-LLVKDONJSA-N 0 0 315.395 0.297 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)C)no2)C1=O ZINC000612861408 397151167 /nfs/dbraw/zinc/15/11/67/397151167.db2.gz 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C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccccn1)C(=O)OC ZINC000601783888 397243813 /nfs/dbraw/zinc/24/38/13/397243813.db2.gz ZCERQBXCPPGLRJ-GFCCVEGCSA-N 0 0 305.334 0.435 10 30 DCEERN C=C(C)C[C@H](NC(=O)CCSc1nnnn1C)C(=O)OC ZINC000601786846 397245438 /nfs/dbraw/zinc/24/54/38/397245438.db2.gz TXGCUKVXRDNVOM-VIFPVBQESA-N 0 0 313.383 0.316 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000620314549 397258781 /nfs/dbraw/zinc/25/87/81/397258781.db2.gz KRPMYMRLUJVSTE-BETUJISGSA-N 0 0 313.423 0.612 10 30 DCEERN C=CCC1(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)CCOCC1 ZINC000424749382 397402042 /nfs/dbraw/zinc/40/20/42/397402042.db2.gz QOWLTWTUKJDPTD-CYBMUJFWSA-N 0 0 310.394 0.411 10 30 DCEERN C=CCC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCOCC1 ZINC000424669013 397402243 /nfs/dbraw/zinc/40/22/43/397402243.db2.gz BZUPZDZTFMIHKN-LBPRGKRZSA-N 0 0 316.423 0.509 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)OC ZINC000594351271 397531786 /nfs/dbraw/zinc/53/17/86/397531786.db2.gz 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/nfs/dbraw/zinc/20/89/60/416208960.db2.gz DRAYVFWQVTXUMY-ZDUSSCGKSA-N 0 0 319.409 0.967 10 30 DCEERN Cc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CCc3ncnn3C1)CC2 ZINC000329300629 416162331 /nfs/dbraw/zinc/16/23/31/416162331.db2.gz VRYIOTGXBFVLCS-GHMZBOCLSA-N 0 0 316.369 0.011 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000341844164 416241749 /nfs/dbraw/zinc/24/17/49/416241749.db2.gz TWQSNLHKQMDBTN-KGLIPLIRSA-N 0 0 321.425 0.873 10 30 DCEERN C=CCNC(=O)CN1CCN(C[C@H](O)CCOC(C)C)CC1 ZINC000349252061 416253814 /nfs/dbraw/zinc/25/38/14/416253814.db2.gz KXVNGQFFEVAGFC-OAHLLOKOSA-N 0 0 313.442 0.082 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000350008031 416264779 /nfs/dbraw/zinc/26/47/79/416264779.db2.gz IBMFXPZPECZVKZ-MRVPVSSYSA-N 0 0 304.328 0.027 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000350261136 416267046 /nfs/dbraw/zinc/26/70/46/416267046.db2.gz FMHLQLOFPIESRP-NSHDSACASA-N 0 0 317.338 0.828 10 30 DCEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000352238189 416308542 /nfs/dbraw/zinc/30/85/42/416308542.db2.gz NTDOARMERVKBFL-CJNGLKHVSA-N 0 0 310.394 0.865 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000351655216 416280003 /nfs/dbraw/zinc/28/00/03/416280003.db2.gz JJYLUKPFWUHOAN-VIFPVBQESA-N 0 0 318.420 0.888 10 30 DCEERN CCN1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000191580978 416285995 /nfs/dbraw/zinc/28/59/95/416285995.db2.gz MFEPRSUNUDPEGI-UHFFFAOYSA-N 0 0 307.375 0.454 10 30 DCEERN COC(=O)CN(CC#Cc1ccccc1)CCN1CCOCC1 ZINC000192030528 416296116 /nfs/dbraw/zinc/29/61/16/416296116.db2.gz CPHWDEDTSDOXKE-UHFFFAOYSA-N 0 0 316.401 0.845 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247137873 416332490 /nfs/dbraw/zinc/33/24/90/416332490.db2.gz QZCYEJJVPBLTPL-CHWSQXEVSA-N 0 0 300.424 0.694 10 30 DCEERN C=CCCCNC(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000360005819 416367886 /nfs/dbraw/zinc/36/78/86/416367886.db2.gz VEXDYRAPNRVNTJ-UHFFFAOYSA-N 0 0 317.393 0.644 10 30 DCEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H]1C ZINC000360079781 416369077 /nfs/dbraw/zinc/36/90/77/416369077.db2.gz UALJDLQSHQHXQL-MDZLAQPJSA-N 0 0 321.402 0.997 10 30 DCEERN CC(C)[C@@]1(CO)CCCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 ZINC000360158843 416375411 /nfs/dbraw/zinc/37/54/11/416375411.db2.gz UCUALRHNLUQYPB-WFASDCNBSA-N 0 0 305.382 0.968 10 30 DCEERN N#Cc1cccc(CC(=O)Nc2n[nH]c(SCCO)n2)c1 ZINC000536544962 416543973 /nfs/dbraw/zinc/54/39/73/416543973.db2.gz FQLVCBFIKODRAF-UHFFFAOYSA-N 0 0 303.347 0.942 10 30 DCEERN C=C[C@H](C)NC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000487774887 416555848 /nfs/dbraw/zinc/55/58/48/416555848.db2.gz XJGQJFOXMUKPBJ-QMMMGPOBSA-N 0 0 320.301 0.831 10 30 DCEERN C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000538112994 416566234 /nfs/dbraw/zinc/56/62/34/416566234.db2.gz VOGMZODBGSHHMB-LLVKDONJSA-N 0 0 301.350 0.896 10 30 DCEERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c1 ZINC000540311313 416590535 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C=CCCn1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)nn1 ZINC000424686964 240260922 /nfs/dbraw/zinc/26/09/22/240260922.db2.gz BLJJRDQCISIIQQ-LOWVWBTDSA-N 0 0 303.366 0.593 10 30 DCEERN C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H](C)CO ZINC000091245326 193026125 /nfs/dbraw/zinc/02/61/25/193026125.db2.gz WZGUWAIJESDUJC-NXEZZACHSA-N 0 0 321.381 0.581 10 30 DCEERN C=CCCCS(=O)(=O)N[C@H](C(=O)OC)c1ccn(C)n1 ZINC000489864564 241097441 /nfs/dbraw/zinc/09/74/41/241097441.db2.gz UQIZGQZDLTWYPA-NSHDSACASA-N 0 0 301.368 0.520 10 30 DCEERN C#CCNC(=O)CN1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000491070451 241108770 /nfs/dbraw/zinc/10/87/70/241108770.db2.gz BSUWGUXKRKWPMC-SFHVURJKSA-N 0 0 315.417 0.261 10 30 DCEERN CNC(=O)[C@H]1CN(c2cc(C#N)ccn2)C[C@@H]1c1cnn(C)c1 ZINC000574060806 291672137 /nfs/dbraw/zinc/67/21/37/291672137.db2.gz GPMKIVBBCNVCSQ-KGLIPLIRSA-N 0 0 310.361 0.653 10 30 DCEERN C[C@H](CNC(=O)c1ccc(Br)cn1)/C(N)=N/O ZINC000061871143 184190533 /nfs/dbraw/zinc/19/05/33/184190533.db2.gz 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303.428 0.036 10 30 DCEERN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000154124742 396032457 /nfs/dbraw/zinc/03/24/57/396032457.db2.gz KHSOKHBJXCIRCP-ZDUSSCGKSA-N 0 0 311.426 0.636 10 30 DCEERN CCCCCCCCS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000072400241 396131351 /nfs/dbraw/zinc/13/13/51/396131351.db2.gz CGVLVOOFCGWBCS-RYMFRWLXSA-N 0 0 308.440 0.880 10 30 DCEERN C=CCCCN(C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000076650815 396207294 /nfs/dbraw/zinc/20/72/94/396207294.db2.gz XLTYDIOSGIRDST-UHFFFAOYSA-N 0 0 300.384 0.123 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCc2cccn2C)CC1 ZINC000074922449 396173580 /nfs/dbraw/zinc/17/35/80/396173580.db2.gz LTDMOBRITNTBDU-UHFFFAOYSA-N 0 0 319.409 0.155 10 30 DCEERN C=CCNC(=O)NC(=O)CN1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075924878 396190116 /nfs/dbraw/zinc/19/01/16/396190116.db2.gz DQNXJLUWIGHAJG-UHFFFAOYSA-N 0 0 310.398 0.329 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181773146 396242051 /nfs/dbraw/zinc/24/20/51/396242051.db2.gz 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/nfs/dbraw/zinc/15/54/94/397155494.db2.gz GLVFZJWNCYGIKA-QWRGUYRKSA-N 0 0 323.353 0.136 10 30 DCEERN C[C@@H](C(=O)N1CCN(c2nccs2)CC1)n1cnc(C#N)n1 ZINC000619610584 397158466 /nfs/dbraw/zinc/15/84/66/397158466.db2.gz SBSGPRHDANDTRM-JTQLQIEISA-N 0 0 317.378 0.516 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)C1=O ZINC000601545073 397173742 /nfs/dbraw/zinc/17/37/42/397173742.db2.gz DIMRKUAARWVJDF-FDYHWXHSSA-N 0 0 324.377 0.198 10 30 DCEERN C=C[C@H](O)C(=O)N[C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000597827567 397114951 /nfs/dbraw/zinc/11/49/51/397114951.db2.gz CLRGNWHXFVJVOI-OLZOCXBDSA-N 0 0 306.362 0.998 10 30 DCEERN C=C[C@H](C(=O)OC)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000619717554 397182197 /nfs/dbraw/zinc/18/21/97/397182197.db2.gz PQIBXKCNSCTSQQ-UKRRQHHQSA-N 0 0 323.437 0.779 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000619742885 397187118 /nfs/dbraw/zinc/18/71/18/397187118.db2.gz BFNQYDPXLQAGCW-SMDDNHRTSA-N 0 0 307.329 0.994 10 30 DCEERN CC#CCNC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O ZINC000613123190 397197322 /nfs/dbraw/zinc/19/73/22/397197322.db2.gz VWSFPQZWUHVHEV-UHFFFAOYSA-N 0 0 315.329 0.704 10 30 DCEERN CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)C1=O ZINC000619843477 397198942 /nfs/dbraw/zinc/19/89/42/397198942.db2.gz GMSSQXDQGZJCOJ-ZDUSSCGKSA-N 0 0 314.345 0.542 10 30 DCEERN CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)C1=O ZINC000619843383 397199389 /nfs/dbraw/zinc/19/93/89/397199389.db2.gz YWDGNMXDDJKXFH-ZDUSSCGKSA-N 0 0 314.345 0.542 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000613292269 397238670 /nfs/dbraw/zinc/23/86/70/397238670.db2.gz CKDQQIMQZGUCRH-NXEZZACHSA-N 0 0 324.299 0.389 10 30 DCEERN C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)OC ZINC000601779140 397243230 /nfs/dbraw/zinc/24/32/30/397243230.db2.gz RQFMFTYKWUDRQN-NWDGAFQWSA-N 0 0 312.366 0.105 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)C(=O)OC ZINC000601784755 397243964 /nfs/dbraw/zinc/24/39/64/397243964.db2.gz MNZPSBPTIQFAQH-VXGBXAGGSA-N 0 0 322.365 0.552 10 30 DCEERN COC[C@@](C)(CO)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000613534372 397274767 /nfs/dbraw/zinc/27/47/67/397274767.db2.gz MIFPFIWFVHIIJJ-MRXNPFEDSA-N 0 0 321.377 0.722 10 30 DCEERN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000386981371 397292325 /nfs/dbraw/zinc/29/23/25/397292325.db2.gz SNKDUUXPRZUICY-LBPRGKRZSA-N 0 0 308.363 0.161 10 30 DCEERN C=C(CNC(=O)[C@H](O)C1CCC1)CNC(=O)[C@@H](O)C1CCC1 ZINC000620747982 397299851 /nfs/dbraw/zinc/29/98/51/397299851.db2.gz WLKKZMICXJLRRX-OKILXGFUSA-N 0 0 310.394 0.097 10 30 DCEERN C=C(CNC(=O)C1CC(C)(O)C1)CNC(=O)C1CC(C)(O)C1 ZINC000620746988 397300273 /nfs/dbraw/zinc/30/02/73/397300273.db2.gz JVAPLVLJVJQQNJ-UHFFFAOYSA-N 0 0 310.394 0.097 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNS(=O)(=O)CCOCC ZINC000620306200 397259106 /nfs/dbraw/zinc/25/91/06/397259106.db2.gz BHOHWSYXFHUCHF-BETUJISGSA-N 0 0 316.423 0.652 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CO)Cc1ccncc1 ZINC000613882266 397341994 /nfs/dbraw/zinc/34/19/94/397341994.db2.gz CPZPDBIOMXMIQY-HUUCEWRRSA-N 0 0 305.378 0.572 10 30 DCEERN CC(C)(C)n1cc(C(=O)C(=O)NC2CCN(CC#N)CC2)cn1 ZINC000593092312 397323389 /nfs/dbraw/zinc/32/33/89/397323389.db2.gz WDKIUDHDTOSBJX-UHFFFAOYSA-N 0 0 317.393 0.925 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccn(CC)c1=O ZINC000614171994 397392564 /nfs/dbraw/zinc/39/25/64/397392564.db2.gz UCDCHPGDXQBWEE-CQSZACIVSA-N 0 0 305.378 0.955 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000593577026 397399282 /nfs/dbraw/zinc/39/92/82/397399282.db2.gz YDYGSYJMUUOLTI-NSHDSACASA-N 0 0 324.358 0.560 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000614244660 397404670 /nfs/dbraw/zinc/40/46/70/397404670.db2.gz KIHYPMNTTHLVDN-DUVNUKRYSA-N 0 0 310.394 0.864 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)c(Cl)c1 ZINC000599494331 397458964 /nfs/dbraw/zinc/45/89/64/397458964.db2.gz YHJZQYBPALXFOT-WDEREUQCSA-N 0 0 316.766 0.640 10 30 DCEERN C=C(C)C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)OC ZINC000602738000 397473640 /nfs/dbraw/zinc/47/36/40/397473640.db2.gz FQIVQTVWXAPZLA-CYBMUJFWSA-N 0 0 312.391 0.931 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000579731079 397591348 /nfs/dbraw/zinc/59/13/48/397591348.db2.gz GLBCMFCEHFZJAZ-PBHICJAKSA-N 0 0 302.374 0.888 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000579733695 397591495 /nfs/dbraw/zinc/59/14/95/397591495.db2.gz GKPMQCFLUDWCAU-MRVPVSSYSA-N 0 0 309.338 0.881 10 30 DCEERN N#Cc1ccc(CNC(=O)CN2CCC(=O)NC2=O)c(F)c1 ZINC000609506323 397777648 /nfs/dbraw/zinc/77/76/48/397777648.db2.gz ZUPYFUBBMSOXMF-UHFFFAOYSA-N 0 0 304.281 0.255 10 30 DCEERN N#Cc1cccc(CS(=O)(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000120163389 158195414 /nfs/dbraw/zinc/19/54/14/158195414.db2.gz VGOOKYBMKACWKS-OAHLLOKOSA-N 0 0 324.402 0.767 10 30 DCEERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000121264932 158209295 /nfs/dbraw/zinc/20/92/95/158209295.db2.gz NWBMIIXVNTXZLX-AWEZNQCLSA-N 0 0 314.345 0.624 10 30 DCEERN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 ZINC000122299665 158220137 /nfs/dbraw/zinc/22/01/37/158220137.db2.gz HLGDSMBSSYUJJY-DOMZBBRYSA-N 0 0 303.362 0.902 10 30 DCEERN N#Cc1nccn1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000123917236 158235863 /nfs/dbraw/zinc/23/58/63/158235863.db2.gz NSRILKOIMZXQNA-UHFFFAOYSA-N 0 0 311.345 0.659 10 30 DCEERN CCCS(=O)(=O)CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130743780 158297213 /nfs/dbraw/zinc/29/72/13/158297213.db2.gz JFNSGFBEBGHTQI-UHFFFAOYSA-N 0 0 322.386 0.973 10 30 DCEERN N#Cc1cccc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000170812205 158377457 /nfs/dbraw/zinc/37/74/57/158377457.db2.gz GCHLFSKUELCLLN-MRXNPFEDSA-N 0 0 314.389 0.903 10 30 DCEERN N#Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c[nH]1 ZINC000181184239 158483230 /nfs/dbraw/zinc/48/32/30/158483230.db2.gz DKTNIHZLNHEHFX-LBPRGKRZSA-N 0 0 316.361 0.597 10 30 DCEERN CCc1nn(Cc2nc(N(C)C)no2)c(=O)c(C#N)c1CC ZINC000184550326 158509501 /nfs/dbraw/zinc/50/95/01/158509501.db2.gz JVKKLQSMAVEZPI-UHFFFAOYSA-N 0 0 302.338 0.737 10 30 DCEERN CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000188512458 158545169 /nfs/dbraw/zinc/54/51/69/158545169.db2.gz GBXITRIKLYMAPZ-UHFFFAOYSA-N 0 0 301.755 0.708 10 30 DCEERN C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191717971 158570230 /nfs/dbraw/zinc/57/02/30/158570230.db2.gz FNNDAKRTVJCTIH-GXTWGEPZSA-N 0 0 324.402 0.414 10 30 DCEERN N#Cc1cc(C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1F ZINC000376464735 159858639 /nfs/dbraw/zinc/85/86/39/159858639.db2.gz UNRBEGNQCHLBSX-GXFFZTMASA-N 0 0 308.334 0.956 10 30 DCEERN Cc1cc(C#N)nc(N2CCC[C@](O)(C(=O)N3CCCC3)C2)n1 ZINC000408036132 160018487 /nfs/dbraw/zinc/01/84/87/160018487.db2.gz PQPFYMRWXZEASG-MRXNPFEDSA-N 0 0 315.377 0.610 10 30 DCEERN Cc1onc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1C#N ZINC000408064274 160026523 /nfs/dbraw/zinc/02/65/23/160026523.db2.gz KJYDSLNDBUMULD-DFBGVHRSSA-N 0 0 319.361 0.786 10 30 DCEERN N#Cc1ccnc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000408066167 160027432 /nfs/dbraw/zinc/02/74/32/160027432.db2.gz VMAYHWJPDNJYTN-YUELXQCFSA-N 0 0 301.346 0.955 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1C#N ZINC000408359514 160091469 /nfs/dbraw/zinc/09/14/69/160091469.db2.gz UPBBJTCBTWIQQH-ZDUSSCGKSA-N 0 0 322.390 0.407 10 30 DCEERN CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)C1 ZINC000408437349 160107650 /nfs/dbraw/zinc/10/76/50/160107650.db2.gz UZNNDNHVLWZJRP-ZDUSSCGKSA-N 0 0 307.375 0.766 10 30 DCEERN Cc1cc(NC(=O)N2CC[C@H](NC(N)=O)C2)nn1CCC#N ZINC000611481445 412394931 /nfs/dbraw/zinc/39/49/31/412394931.db2.gz ORPBETXHTZSWDU-JTQLQIEISA-N 0 0 305.342 0.380 10 30 DCEERN CCOC(=O)c1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)[nH]n1 ZINC000619615419 412429756 /nfs/dbraw/zinc/42/97/56/412429756.db2.gz XHVSWUNXUFRQJF-ZETCQYMHSA-N 0 0 303.282 0.249 10 30 DCEERN C=CCCCNC(=O)C(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000342476453 415184938 /nfs/dbraw/zinc/18/49/38/415184938.db2.gz HXQREOSOQKLLHY-XJKSGUPXSA-N 0 0 310.394 0.865 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000273246764 415320208 /nfs/dbraw/zinc/32/02/08/415320208.db2.gz OTBOXHBCLCOJME-UHFFFAOYSA-N 0 0 309.326 0.021 10 30 DCEERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061890179 415345826 /nfs/dbraw/zinc/34/58/26/415345826.db2.gz NGJXETRUYDCMFJ-SCZZXKLOSA-N 0 0 312.351 0.557 10 30 DCEERN Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)CCCC#N)cn1 ZINC000275304440 415372384 /nfs/dbraw/zinc/37/23/84/415372384.db2.gz NDTIYXPWNAMPMH-QWHCGFSZSA-N 0 0 312.395 0.863 10 30 DCEERN C#CCC(CC#C)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000278827796 415496372 /nfs/dbraw/zinc/49/63/72/415496372.db2.gz JJXGXYNHNPQPKX-HNNXBMFYSA-N 0 0 324.446 0.970 10 30 DCEERN C#CCC(CC#C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000287289777 415650060 /nfs/dbraw/zinc/65/00/60/415650060.db2.gz VXDXLOLTNHIDBD-UHFFFAOYSA-N 0 0 304.371 0.613 10 30 DCEERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108830987 415683453 /nfs/dbraw/zinc/68/34/53/415683453.db2.gz SHCKSKTVRAOHBM-SCZZXKLOSA-N 0 0 313.404 0.833 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCc2cc(C)no2)CC1 ZINC000114948701 415725422 /nfs/dbraw/zinc/72/54/22/415725422.db2.gz HMCHZEUPFOTKSB-UHFFFAOYSA-N 0 0 321.381 0.112 10 30 DCEERN C#Cc1cccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116999368 415732415 /nfs/dbraw/zinc/73/24/15/415732415.db2.gz ZGSLSJKMYAJPLM-ZDUSSCGKSA-N 0 0 307.375 0.823 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000333974477 415775742 /nfs/dbraw/zinc/77/57/42/415775742.db2.gz QEKXDZIASIFYNV-CHWSQXEVSA-N 0 0 324.425 0.623 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)Nc2ccnc(C)c2)CC1 ZINC000119718508 415750021 /nfs/dbraw/zinc/75/00/21/415750021.db2.gz ZKZJQQRITIKGOL-UHFFFAOYSA-N 0 0 317.393 0.842 10 30 DCEERN N#CCc1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000119749375 415750820 /nfs/dbraw/zinc/75/08/20/415750820.db2.gz VRVGRKFVDPMTMJ-HNNXBMFYSA-N 0 0 318.377 0.567 10 30 DCEERN C#CCN(CC#C)C(=O)[C@H]1CCC[C@@H]1C(=O)N(CC#C)CC#C ZINC000120720943 415782842 /nfs/dbraw/zinc/78/28/42/415782842.db2.gz JYJBFWKRNWRXTB-IRXDYDNUSA-N 0 0 308.381 0.593 10 30 DCEERN C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354474091 415798718 /nfs/dbraw/zinc/79/87/18/415798718.db2.gz ZTGDHGMBZVLQNF-ZDUSSCGKSA-N 0 0 302.440 0.778 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000122216183 415828428 /nfs/dbraw/zinc/82/84/28/415828428.db2.gz CZCLFAYVGUKCHD-UHFFFAOYSA-N 0 0 313.405 0.983 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000355655775 415867258 /nfs/dbraw/zinc/86/72/58/415867258.db2.gz IKHDZSIUOWBJIT-LBPRGKRZSA-N 0 0 323.397 0.197 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000337070553 415903430 /nfs/dbraw/zinc/90/34/30/415903430.db2.gz MYVWIVHGSHTXRC-JTQLQIEISA-N 0 0 312.329 0.843 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])C1=O ZINC000337103935 415910748 /nfs/dbraw/zinc/91/07/48/415910748.db2.gz YFZJJWMLYSBTHJ-VIFPVBQESA-N 0 0 307.310 0.187 10 30 DCEERN C=CCSCCNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000337401041 415955648 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/nfs/dbraw/zinc/07/09/02/546070902.db2.gz CJCBZVAHMBQLKZ-CBBWQLFWSA-N 0 0 309.410 0.835 10 30 DCEERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)C1CN(c2ccccc2C#N)C1 ZINC000888100956 661179842 /nfs/dbraw/zinc/17/98/42/661179842.db2.gz GUBLUEJGXAIOSQ-SMDDNHRTSA-N 0 0 312.373 0.778 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1cccc2ncccc21 ZINC000180285868 665430538 /nfs/dbraw/zinc/43/05/38/665430538.db2.gz NGRIRDIDPFGCQR-UHFFFAOYSA-N 0 0 305.359 0.815 10 30 DCEERN C#CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000723034595 658206590 /nfs/dbraw/zinc/20/65/90/658206590.db2.gz YKNYRZPARKSBPM-LBPRGKRZSA-N 0 0 300.424 0.918 10 30 DCEERN C[C@@](C#N)(NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)C1CC1 ZINC000329204652 658969032 /nfs/dbraw/zinc/96/90/32/658969032.db2.gz XPQGJOWMPARPRE-SUHUHFCYSA-N 0 0 311.407 0.754 10 30 DCEERN C=CCn1cnc2oc(C)c(C(=O)NCC(=O)OCC)c2c1=O ZINC000222771188 661632914 /nfs/dbraw/zinc/63/29/14/661632914.db2.gz FBBSOPUCLJFQFP-UHFFFAOYSA-N 0 0 319.317 0.777 10 30 DCEERN C#Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000728863730 662493836 /nfs/dbraw/zinc/49/38/36/662493836.db2.gz FPSWGNZZHMWPTO-UHFFFAOYSA-N 0 0 307.375 0.218 10 30 DCEERN C#CCCCNC(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000174095509 664635605 /nfs/dbraw/zinc/63/56/05/664635605.db2.gz VDRLPFMVOIFTMQ-UHFFFAOYSA-N 0 0 303.366 0.730 10 30 DCEERN CN(CCCC(=O)OCC(=O)NCC#N)C(=O)OC(C)(C)C ZINC000731243748 664848672 /nfs/dbraw/zinc/84/86/72/664848672.db2.gz BXGJTADFGXTEJQ-UHFFFAOYSA-N 0 0 313.354 0.816 10 30 DCEERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000731625480 664874167 /nfs/dbraw/zinc/87/41/67/664874167.db2.gz YYLFJFSXLPKVMU-ZIAGYGMSSA-N 0 0 324.450 0.600 10 30 DCEERN N#C[C@H]1CN(C(=O)NCC(=O)NC2CCCC2)CCN1C1CC1 ZINC000732674951 664951648 /nfs/dbraw/zinc/95/16/48/664951648.db2.gz NUERXCZNARYBBN-AWEZNQCLSA-N 0 0 319.409 0.427 10 30 DCEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCCCNC2=O)CCN1C1CC1 ZINC000732673877 664951748 /nfs/dbraw/zinc/95/17/48/664951748.db2.gz ALGMVSFOGAPHAP-CHWSQXEVSA-N 0 0 305.382 0.037 10 30 DCEERN C#CCCNC(=O)CCc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC000733288158 666474524 /nfs/dbraw/zinc/47/45/24/666474524.db2.gz BOMKZUFSVXWFLU-UHFFFAOYSA-N 0 0 300.362 0.951 10 30 DCEERN Cc1ccc(CS(=O)(=O)CCS(C)(=O)=O)cc1C#N ZINC000701838920 666881525 /nfs/dbraw/zinc/88/15/25/666881525.db2.gz VHNGOSVEGOQJIP-UHFFFAOYSA-N 0 0 301.389 0.826 10 30 DCEERN C=C(Cl)CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000737224700 667109846 /nfs/dbraw/zinc/10/98/46/667109846.db2.gz KLEOFCKHNLSRTN-UHFFFAOYSA-N 0 0 309.709 0.825 10 30 DCEERN Cn1nccc1[C@H]1[C@H](CNC(=O)C#CC2CC2)OCCN1C ZINC000886079527 667729654 /nfs/dbraw/zinc/72/96/54/667729654.db2.gz DUHIPBJIHCZHFX-HOCLYGCPSA-N 0 0 302.378 0.321 10 30 DCEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@H](C(=O)OCC)C1 ZINC000741256682 667764391 /nfs/dbraw/zinc/76/43/91/667764391.db2.gz ZGAKYHVWDWCUKP-KBPBESRZSA-N 0 0 310.394 0.839 10 30 DCEERN CC[S@@](=O)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742407045 667791141 /nfs/dbraw/zinc/79/11/41/667791141.db2.gz 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/nfs/dbraw/zinc/30/54/94/685305494.db2.gz RXCIBPJPMROCGA-VXGBXAGGSA-N 0 0 300.311 0.125 10 30 DCEERN CCN(CC(=O)OC)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720315430 685312731 /nfs/dbraw/zinc/31/27/31/685312731.db2.gz XWEADYMMDHXIGE-UHFFFAOYSA-N 0 0 300.311 0.881 10 30 DCEERN C=CCNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000171002202 1183704412 /nfs/dbraw/zinc/70/44/12/1183704412.db2.gz BMXHUQAASQMJPZ-HNNXBMFYSA-N 0 0 302.334 0.726 10 30 DCEERN C#CCCCCCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588456590 747312145 /nfs/dbraw/zinc/31/21/45/747312145.db2.gz XMQCKLCHSBABNE-KTKRTIGZSA-N 0 0 304.346 0.834 10 30 DCEERN CC(C)[C@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)N1CCOCC1 ZINC000181343534 199283351 /nfs/dbraw/zinc/28/33/51/199283351.db2.gz PINYJCUSZUSXBG-ZDUSSCGKSA-N 0 0 304.350 0.500 10 30 DCEERN CN(CC#Cc1ccccc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000192086180 529822880 /nfs/dbraw/zinc/82/28/80/529822880.db2.gz VCNATNINOQQJOQ-HNNXBMFYSA-N 0 0 320.414 0.273 10 30 DCEERN CN(CC(N)=O)C[C@H]1CN(C(=O)C2(C#N)CCCCC2)CCO1 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Cc1cc(N2CCC[C@@H](NC(=O)CSCC#N)C2=O)n(C)n1 ZINC000174976270 237174341 /nfs/dbraw/zinc/17/43/41/237174341.db2.gz PBVFVBJIRWFEJI-LLVKDONJSA-N 0 0 321.406 0.597 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188731773 200296041 /nfs/dbraw/zinc/29/60/41/200296041.db2.gz GZBUNKCAXNBKAS-CYBMUJFWSA-N 0 0 323.418 0.554 10 30 DCEERN Cn1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000157756063 291229429 /nfs/dbraw/zinc/22/94/29/291229429.db2.gz GPPMAAJLEPZEDH-UHFFFAOYSA-N 0 0 313.317 0.425 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC ZINC000272010097 209381380 /nfs/dbraw/zinc/38/13/80/209381380.db2.gz ZVCCYVZZZDWCFD-MNOVXSKESA-N 0 0 313.423 0.352 10 30 DCEERN CN(C(=O)CN1CCN2CCOC[C@@H]2C1)C1(C#N)CCCCC1 ZINC000368814372 239161051 /nfs/dbraw/zinc/16/10/51/239161051.db2.gz RFWTXRGVJYAUHV-HNNXBMFYSA-N 0 0 320.437 0.688 10 30 DCEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cnn(C)c1 ZINC000369796793 239171118 /nfs/dbraw/zinc/17/11/18/239171118.db2.gz 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/nfs/dbraw/zinc/54/90/90/182549090.db2.gz USBMOHGBJHPSAK-UHFFFAOYSA-N 0 0 318.358 0.923 10 30 DCEERN CS(=O)(=O)CCS(=O)(=O)N[C@H](C#N)C1CCCCC1 ZINC000063142989 184273861 /nfs/dbraw/zinc/27/38/61/184273861.db2.gz GYDVCYIVVPHWNJ-LLVKDONJSA-N 0 0 308.425 0.423 10 30 DCEERN N#Cc1ccc(OCCNC(=O)NCCNC(=O)C2CC2)cc1 ZINC000175327133 252601518 /nfs/dbraw/zinc/60/15/18/252601518.db2.gz FCTCHTAJSQXRRU-UHFFFAOYSA-N 0 0 316.361 0.762 10 30 DCEERN Cc1ncc(S(=O)(=O)NCCSCCCO)cc1C#N ZINC000336844487 252803231 /nfs/dbraw/zinc/80/32/31/252803231.db2.gz ZQRQTMXSPZTDRP-UHFFFAOYSA-N 0 0 315.420 0.656 10 30 DCEERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000408206533 533037065 /nfs/dbraw/zinc/03/70/65/533037065.db2.gz OQBVWVJNLQPRNX-IUCAKERBSA-N 0 0 307.397 0.013 10 30 DCEERN Cn1cc(N2CC[C@H](NC(=O)c3cc(C#N)cn3C)C2=O)cn1 ZINC000177397941 220453799 /nfs/dbraw/zinc/45/37/99/220453799.db2.gz CUPWJZHMCRJRIO-LBPRGKRZSA-N 0 0 312.333 0.166 10 30 DCEERN COC(=O)C(C)(C)N1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358637408 533152068 /nfs/dbraw/zinc/15/20/68/533152068.db2.gz RREWYEVICGWHDA-UHFFFAOYSA-N 0 0 310.398 0.815 10 30 DCEERN COc1ncc(/C=C/C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 ZINC000368421568 533189179 /nfs/dbraw/zinc/18/91/79/533189179.db2.gz DZZSIEHXPQZWEG-IWZWCOEHSA-N 0 0 313.361 0.697 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122056914 132161367 /nfs/dbraw/zinc/16/13/67/132161367.db2.gz HUPZLLKEODLAIX-NWDGAFQWSA-N 0 0 322.386 0.971 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)[nH]c2C)CC1 ZINC000022474604 395691892 /nfs/dbraw/zinc/69/18/92/395691892.db2.gz OUGOPRBCUBZXGA-UHFFFAOYSA-N 0 0 318.421 0.734 10 30 DCEERN CC(=O)N[C@@H]1/C(=N/O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O ZINC000035636106 395721361 /nfs/dbraw/zinc/72/13/61/395721361.db2.gz PIYCZWMJRKZNLW-BZHWPZESSA-N 0 0 322.317 0.153 10 30 DCEERN C[C@H]1OCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000270608758 395788812 /nfs/dbraw/zinc/78/88/12/395788812.db2.gz CFTGUOZRQGHALS-OCCSQVGLSA-N 0 0 315.377 0.962 10 30 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/nfs/dbraw/zinc/60/66/74/415606674.db2.gz MXACNIVMGLKZAI-CABCVRRESA-N 0 0 316.405 0.907 10 30 DCEERN C=CCN1CC[C@H](N2CCN(CC(F)(F)F)C(=O)C2)C1=O ZINC000286289432 415626082 /nfs/dbraw/zinc/62/60/82/415626082.db2.gz CVZOQZUALHNUBV-JTQLQIEISA-N 0 0 305.300 0.480 10 30 DCEERN C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875562 415637252 /nfs/dbraw/zinc/63/72/52/415637252.db2.gz PEQJNHAQKBNAEI-UHFFFAOYSA-N 0 0 319.409 0.686 10 30 DCEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)NC ZINC000287045712 415639936 /nfs/dbraw/zinc/63/99/36/415639936.db2.gz IZYHAEIILIAISA-CQSZACIVSA-N 0 0 323.418 0.469 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101552117 415594694 /nfs/dbraw/zinc/59/46/94/415594694.db2.gz QEKXDZIASIFYNV-STQMWFEESA-N 0 0 324.425 0.623 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)CC ZINC000287458033 415666055 /nfs/dbraw/zinc/66/60/55/415666055.db2.gz RXLHGLNUJDELKQ-AWEZNQCLSA-N 0 0 308.403 0.677 10 30 DCEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000287514450 415670295 /nfs/dbraw/zinc/67/02/95/415670295.db2.gz ZOEMNHXJWPGSQZ-OCCSQVGLSA-N 0 0 308.403 0.675 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1S(N)(=O)=O ZINC000287823695 415674407 /nfs/dbraw/zinc/67/44/07/415674407.db2.gz AJMFWYGQLAQBOK-NSHDSACASA-N 0 0 313.379 0.070 10 30 DCEERN C[C@H]1CN(C2CCN(S(=O)(=O)CCCC#N)CC2)CCO1 ZINC000111330081 415693902 /nfs/dbraw/zinc/69/39/02/415693902.db2.gz VCVVYIIMIMABGW-ZDUSSCGKSA-N 0 0 315.439 0.805 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]2C)CC1 ZINC000114960158 415724500 /nfs/dbraw/zinc/72/45/00/415724500.db2.gz FILFJICTQOOKMV-ZIAGYGMSSA-N 0 0 308.426 0.804 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000289465175 415707890 /nfs/dbraw/zinc/70/78/90/415707890.db2.gz MJNOCQAMMIYVCT-LBPRGKRZSA-N 0 0 313.375 0.617 10 30 DCEERN Cn1nccc1CCC(=O)N(CCC#N)CCN1CCOCC1 ZINC000122301034 415829883 /nfs/dbraw/zinc/82/98/83/415829883.db2.gz KGDTXDCNLVZPQY-UHFFFAOYSA-N 0 0 319.409 0.427 10 30 DCEERN C=CCS(=O)(=O)CCNC(=O)NCCCc1nccs1 ZINC000292540884 415844696 /nfs/dbraw/zinc/84/46/96/415844696.db2.gz QCDQLVAALARINV-UHFFFAOYSA-N 0 0 317.436 0.976 10 30 DCEERN C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354448459 415798589 /nfs/dbraw/zinc/79/85/89/415798589.db2.gz HPCXGXHUPVRZTE-ZDUSSCGKSA-N 0 0 300.424 0.554 10 30 DCEERN C=CCSCCNC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000336961707 415876524 /nfs/dbraw/zinc/87/65/24/415876524.db2.gz CJFVZDQRLMFUGZ-JTQLQIEISA-N 0 0 307.441 0.368 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000337042980 415896768 /nfs/dbraw/zinc/89/67/68/415896768.db2.gz CQOGFDGXEKQESG-MNOVXSKESA-N 0 0 309.366 0.293 10 30 DCEERN C=CC[C@H](CO)NC(=O)CSCC(=O)N1CCCCC1 ZINC000337061643 415902205 /nfs/dbraw/zinc/90/22/05/415902205.db2.gz XSRNCQDPZFELFP-GFCCVEGCSA-N 0 0 300.424 0.785 10 30 DCEERN C=CCOc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128986089 415903392 /nfs/dbraw/zinc/90/33/92/415903392.db2.gz ZQORHMMNCHOIIK-HNNXBMFYSA-N 0 0 320.389 0.674 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccccc1OCC(=O)N(C)C ZINC000337076221 415905479 /nfs/dbraw/zinc/90/54/79/415905479.db2.gz QSSNQAZIBFELQI-LBPRGKRZSA-N 0 0 306.362 0.820 10 30 DCEERN N#CCCn1ccc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000129882837 415914136 /nfs/dbraw/zinc/91/41/36/415914136.db2.gz CWZWMLKJCDTXIZ-QWRGUYRKSA-N 0 0 304.354 0.962 10 30 DCEERN C#CCOCCC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000132235800 415934204 /nfs/dbraw/zinc/93/42/04/415934204.db2.gz QKQZAIUEPDRNQM-INIZCTEOSA-N 0 0 307.438 0.655 10 30 DCEERN N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000172612000 416046516 /nfs/dbraw/zinc/04/65/16/416046516.db2.gz WWHSMUYMUACUDC-VXGBXAGGSA-N 0 0 307.375 0.881 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000337809126 416011647 /nfs/dbraw/zinc/01/16/47/416011647.db2.gz KARICAIRMPKFMB-RYUDHWBXSA-N 0 0 322.365 0.551 10 30 DCEERN C=CCNC(=O)CN1CCN(CCc2ccnn2CC)CC1 ZINC000338552959 416110626 /nfs/dbraw/zinc/11/06/26/416110626.db2.gz YPNGOKCYQKYTIJ-UHFFFAOYSA-N 0 0 305.426 0.365 10 30 DCEERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]3CCO)C[C@H]21 ZINC000329200045 416156587 /nfs/dbraw/zinc/15/65/87/416156587.db2.gz VDOFHIJHXBJHBS-KBUPBQIOSA-N 0 0 311.426 0.856 10 30 DCEERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[C@H]1CCOC1 ZINC000328669535 416127153 /nfs/dbraw/zinc/12/71/53/416127153.db2.gz MAPSCJQEWGLYJR-QWRGUYRKSA-N 0 0 305.400 0.080 10 30 DCEERN Cc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CCO2)[nH]1 ZINC000328812285 416134061 /nfs/dbraw/zinc/13/40/61/416134061.db2.gz BKSIEXGXVUUNNN-FRRDWIJNSA-N 0 0 321.381 0.968 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000176867215 416135866 /nfs/dbraw/zinc/13/58/66/416135866.db2.gz YSTYMZIIUJKYAF-UHFFFAOYSA-N 0 0 322.324 0.923 10 30 DCEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CCC(=O)NC ZINC000338785799 416138016 /nfs/dbraw/zinc/13/80/16/416138016.db2.gz CMSYMNMNGLXCMD-GFCCVEGCSA-N 0 0 323.397 0.514 10 30 DCEERN C=CCN1C(=O)C(=O)N(Cc2cn(-c3ccccc3)nn2)C1=O ZINC000338841946 416146546 /nfs/dbraw/zinc/14/65/46/416146546.db2.gz UFHUVPUKDBMFJG-UHFFFAOYSA-N 0 0 311.301 0.744 10 30 DCEERN CN1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1=O ZINC000329652009 416182547 /nfs/dbraw/zinc/18/25/47/416182547.db2.gz DBWJHQBDYAOSQQ-QWRGUYRKSA-N 0 0 311.407 0.875 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000340827964 416195096 /nfs/dbraw/zinc/19/50/96/416195096.db2.gz VIQWGTBWAZWZHT-UHFFFAOYSA-N 0 0 321.381 0.334 10 30 DCEERN CC(=O)N1CCC(NC(=O)c2cc(=O)[nH]c(N(C)C)n2)CC1 ZINC000330454174 416208112 /nfs/dbraw/zinc/20/81/12/416208112.db2.gz VUJPEKLEIMZTTE-UHFFFAOYSA-N 0 0 307.354 0.564 10 30 DCEERN COCc1nc(CN2CCN(c3ncccc3C#N)CC2)no1 ZINC000182376627 416220782 /nfs/dbraw/zinc/22/07/82/416220782.db2.gz YZVFAJJQZLUIIW-UHFFFAOYSA-N 0 0 314.349 0.805 10 30 DCEERN C=C(C)CN(C)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000350186551 416265976 /nfs/dbraw/zinc/26/59/76/416265976.db2.gz GIRTWQNXVBKNQQ-UHFFFAOYSA-N 0 0 300.322 0.635 10 30 DCEERN C=C(C)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000189604233 416269077 /nfs/dbraw/zinc/26/90/77/416269077.db2.gz LIPDJPHUUXJHOY-NSHDSACASA-N 0 0 314.411 0.963 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000189933541 416272500 /nfs/dbraw/zinc/27/25/00/416272500.db2.gz BJEPVKNZTVMRTR-GFCCVEGCSA-N 0 0 302.330 0.620 10 30 DCEERN C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCCCO2)c1=O ZINC000351675506 416280852 /nfs/dbraw/zinc/28/08/52/416280852.db2.gz MRFSICYXVCHGRJ-CYBMUJFWSA-N 0 0 321.377 0.503 10 30 DCEERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000190683846 416281719 /nfs/dbraw/zinc/28/17/19/416281719.db2.gz QEJHAGMBWWCZKT-LLVKDONJSA-N 0 0 314.345 0.428 10 30 DCEERN CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[C@H]1C ZINC000191289962 416284758 /nfs/dbraw/zinc/28/47/58/416284758.db2.gz KKGOAWIJDWJBRY-VXGBXAGGSA-N 0 0 319.365 0.619 10 30 DCEERN C=CC[C@H](CO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000342180350 416289465 /nfs/dbraw/zinc/28/94/65/416289465.db2.gz MPBKULWADQZQCL-NSHDSACASA-N 0 0 317.345 0.403 10 30 DCEERN C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515627 416326545 /nfs/dbraw/zinc/32/65/45/416326545.db2.gz XHLFNRLGKNJEOE-ZDUSSCGKSA-N 0 0 317.393 0.827 10 30 DCEERN N#CCN(CC#N)C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000195452162 416326667 /nfs/dbraw/zinc/32/66/67/416326667.db2.gz ONPOTSVGACIYOR-UHFFFAOYSA-N 0 0 311.389 0.680 10 30 DCEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@@H]1C ZINC000360079780 416369128 /nfs/dbraw/zinc/36/91/28/416369128.db2.gz UALJDLQSHQHXQL-GVXVVHGQSA-N 0 0 321.402 0.997 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nc(C(=O)OCC)co2)CC1 ZINC000418818416 416390326 /nfs/dbraw/zinc/39/03/26/416390326.db2.gz OOICVGBIUNEQAJ-UHFFFAOYSA-N 0 0 322.365 0.276 10 30 DCEERN C=CCNc1ncc(C(=O)N[C@@H](CCF)C(=O)OC)s1 ZINC000593897885 416549369 /nfs/dbraw/zinc/54/93/69/416549369.db2.gz KFRMQKZMKWUHBR-QMMMGPOBSA-N 0 0 301.343 1.372 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCCc2nnc3ccccn32)CCO1 ZINC000489494739 416566044 /nfs/dbraw/zinc/56/60/44/416566044.db2.gz AVEMZOIAFJHGIG-GFCCVEGCSA-N 0 0 314.349 0.596 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1ccn(C2CCOCC2)n1 ZINC000594709322 416566910 /nfs/dbraw/zinc/56/69/10/416566910.db2.gz AIKWGUVESCVPOM-NSHDSACASA-N 0 0 321.381 1.047 10 30 DCEERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363079599 416574422 /nfs/dbraw/zinc/57/44/22/416574422.db2.gz CYBNNLUQFVHSDC-GJZGRUSLSA-N 0 0 318.421 0.976 10 30 DCEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCN2CCOC[C@@H]2C1 ZINC000363856782 416577183 /nfs/dbraw/zinc/57/71/83/416577183.db2.gz BWJYAEJSCDOEQE-AWEZNQCLSA-N 0 0 314.341 0.310 10 30 DCEERN C=CCn1cc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nn1 ZINC000424296048 416637389 /nfs/dbraw/zinc/63/73/89/416637389.db2.gz OAIRGOVNCXJNBV-NSHDSACASA-N 0 0 321.406 0.962 10 30 DCEERN COc1ncncc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000443325656 416751106 /nfs/dbraw/zinc/75/11/06/416751106.db2.gz HJJRBVWEPNGKFQ-UHFFFAOYSA-N 0 0 317.349 0.870 10 30 DCEERN C=CCCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000552632913 416700613 /nfs/dbraw/zinc/70/06/13/416700613.db2.gz KMBWFDFHRMYHKS-SNVBAGLBSA-N 0 0 307.316 0.822 10 30 DCEERN CC#CCN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000615407051 416821591 /nfs/dbraw/zinc/82/15/91/416821591.db2.gz PJSSJSZVVXYXRW-LSDHHAIUSA-N 0 0 301.346 0.462 10 30 DCEERN CNC(=O)c1cc(S(=O)(=O)N2CC[C@](F)(C#N)C2)cn1C ZINC000615546489 416855220 /nfs/dbraw/zinc/85/52/20/416855220.db2.gz TYXJRCOFTFNUIN-LBPRGKRZSA-N 0 0 314.342 0.011 10 30 DCEERN C=C(C)CN(C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632186858 416950537 /nfs/dbraw/zinc/95/05/37/416950537.db2.gz RMJCIELVDWNMER-NSHDSACASA-N 0 0 310.441 0.106 10 30 DCEERN C=CCCNC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624345507 417012054 /nfs/dbraw/zinc/01/20/54/417012054.db2.gz KIRPJAUBTMWXPG-LLVKDONJSA-N 0 0 301.354 0.578 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)n1cnc2c1ncnc2N ZINC000616409757 417036342 /nfs/dbraw/zinc/03/63/42/417036342.db2.gz VIOGISAFWRWVLY-VWYCJHECSA-N 0 0 316.365 0.677 10 30 DCEERN C=CC(C)(C)CCNC(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000624459401 417040528 /nfs/dbraw/zinc/04/05/28/417040528.db2.gz AXEAQHHHVJRLOB-GFCCVEGCSA-N 0 0 312.414 0.928 10 30 DCEERN C=CC(C)(C)CCNC(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000624459402 417042964 /nfs/dbraw/zinc/04/29/64/417042964.db2.gz AXEAQHHHVJRLOB-LBPRGKRZSA-N 0 0 312.414 0.928 10 30 DCEERN C=CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)NC ZINC000448818158 417102747 /nfs/dbraw/zinc/10/27/47/417102747.db2.gz IQAUSDJMWJSWSX-UHFFFAOYSA-N 0 0 322.390 0.127 10 30 DCEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632414544 417075455 /nfs/dbraw/zinc/07/54/55/417075455.db2.gz BTWCPBKSTHIKFS-XQQFMLRXSA-N 0 0 314.407 0.403 10 30 DCEERN C=C(CC)CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632426416 417080150 /nfs/dbraw/zinc/08/01/50/417080150.db2.gz ZCJCMPNSCBOXIY-LLVKDONJSA-N 0 0 310.441 0.154 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000617179698 417177039 /nfs/dbraw/zinc/17/70/39/417177039.db2.gz 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/nfs/dbraw/zinc/36/63/64/417366364.db2.gz BGZWJROFDSODHN-NSHDSACASA-N 0 0 303.380 0.404 10 30 DCEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)C1 ZINC000627733676 417493836 /nfs/dbraw/zinc/49/38/36/417493836.db2.gz AEEPLGZGKGJMLL-JTQLQIEISA-N 0 0 302.334 0.544 10 30 DCEERN C=CCn1cc(CNC(=O)[C@@]2(CC(C)C)CCNC2=O)nn1 ZINC000633487207 417441386 /nfs/dbraw/zinc/44/13/86/417441386.db2.gz SVFXXSCSEIXRKG-OAHLLOKOSA-N 0 0 305.382 0.633 10 30 DCEERN C=CCCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000573910106 417476165 /nfs/dbraw/zinc/47/61/65/417476165.db2.gz RYQDCUNXTZDNBD-GFCCVEGCSA-N 0 0 303.428 0.923 10 30 DCEERN C=CCCOCC(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000628578034 417659935 /nfs/dbraw/zinc/65/99/35/417659935.db2.gz XTYOLCZDIQTJKR-INIZCTEOSA-N 0 0 312.410 0.311 10 30 DCEERN N#Cc1ccc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c(F)c1 ZINC000194930522 261149632 /nfs/dbraw/zinc/14/96/32/261149632.db2.gz SRNRVMDIWYTHLT-LBPRGKRZSA-N 0 0 316.336 0.482 10 30 DCEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1nnn(C)n1 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C=C(C)C[C@H](C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000185502427 526711075 /nfs/dbraw/zinc/71/10/75/526711075.db2.gz NKTFBXRJWSCNTM-ZDUSSCGKSA-N 0 0 309.410 0.786 10 30 DCEERN C#CCOCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179242837 527064144 /nfs/dbraw/zinc/06/41/44/527064144.db2.gz OHXRBDDVNQWBBN-CQSZACIVSA-N 0 0 308.378 0.124 10 30 DCEERN C#CCOCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000160189577 527064980 /nfs/dbraw/zinc/06/49/80/527064980.db2.gz YMZKZMNWXSQEQW-ZDUSSCGKSA-N 0 0 314.407 0.053 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000354794719 527090146 /nfs/dbraw/zinc/09/01/46/527090146.db2.gz QHVKZMQPCBDPQB-AWEZNQCLSA-N 0 0 323.368 0.721 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000185848096 527096831 /nfs/dbraw/zinc/09/68/31/527096831.db2.gz JCLYVDYWZVZVDK-YPMHNXCESA-N 0 0 301.350 0.954 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184883288 527102379 /nfs/dbraw/zinc/10/23/79/527102379.db2.gz MXKYQVSJSGKEKK-NSHDSACASA-N 0 0 300.336 0.951 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000183391850 527195109 /nfs/dbraw/zinc/19/51/09/527195109.db2.gz FFKQMEMDPAWWSM-CYBMUJFWSA-N 0 0 309.341 0.792 10 30 DCEERN C=CCCCNC(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000342478671 527201846 /nfs/dbraw/zinc/20/18/46/527201846.db2.gz JTYSTNVLYKWCMP-UHFFFAOYSA-N 0 0 309.410 0.927 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)CC=C ZINC000248511579 527203425 /nfs/dbraw/zinc/20/34/25/527203425.db2.gz BNWGNMIWMGHQLR-LXTVHRRPSA-N 0 0 324.421 0.509 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000185889844 527208392 /nfs/dbraw/zinc/20/83/92/527208392.db2.gz DWRKZZPVGYOZMS-CYBMUJFWSA-N 0 0 324.402 0.893 10 30 DCEERN C#C[C@@H](NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C(C)C ZINC000374194666 527280883 /nfs/dbraw/zinc/28/08/83/527280883.db2.gz QBOJZTKWNWBTEH-ZIAGYGMSSA-N 0 0 307.394 0.723 10 30 DCEERN CC1(C)NC(=O)N(CC(=O)N(CCC#N)Cc2ccco2)C1=O ZINC000072621992 527784543 /nfs/dbraw/zinc/78/45/43/527784543.db2.gz BNJHRUOXMOMQPC-UHFFFAOYSA-N 0 0 318.333 0.852 10 30 DCEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408203393 527936014 /nfs/dbraw/zinc/93/60/14/527936014.db2.gz QHUZYBMFUGIQHA-BZPMIXESSA-N 0 0 315.439 0.548 10 30 DCEERN CCCNC(=O)CCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369221587 528350037 /nfs/dbraw/zinc/35/00/37/528350037.db2.gz QLIXSEYWBIENDZ-AWEZNQCLSA-N 0 0 306.410 0.882 10 30 DCEERN CCN(CCC#N)C(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173659403 528360187 /nfs/dbraw/zinc/36/01/87/528360187.db2.gz RQDZBKABXVWNSY-GFCCVEGCSA-N 0 0 306.370 0.249 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000122251863 545752165 /nfs/dbraw/zinc/75/21/65/545752165.db2.gz PCPJDCNOUCCYRE-UHFFFAOYSA-N 0 0 317.437 0.567 10 30 DCEERN C[C@@H](O)CN1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000328964802 546041540 /nfs/dbraw/zinc/04/15/40/546041540.db2.gz LZQGPLUUROEMDN-LLVKDONJSA-N 0 0 307.350 0.959 10 30 DCEERN Cn1cc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4ncnn4C3)C2)cn1 ZINC000329455078 546048341 /nfs/dbraw/zinc/04/83/41/546048341.db2.gz PPNHUKIMAKYZFH-DGCLKSJQSA-N 0 0 315.381 0.730 10 30 DCEERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)[nH]n1 ZINC000329677104 546053380 /nfs/dbraw/zinc/05/33/80/546053380.db2.gz VBGRSAWZZVWHPC-YGOYTEALSA-N 0 0 314.411 0.586 10 30 DCEERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H]2CCC[C@@H]2C#N)n1 ZINC000332975517 546067799 /nfs/dbraw/zinc/06/77/99/546067799.db2.gz PHEHUGKEMVEWNC-WISYIIOYSA-N 0 0 305.338 0.888 10 30 DCEERN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CCc1ccnn1C ZINC000123264034 659415549 /nfs/dbraw/zinc/41/55/49/659415549.db2.gz ICZWOBGJVLULNO-AWEZNQCLSA-N 0 0 320.393 0.993 10 30 DCEERN C#Cc1ccc(C(=O)OCCn2nc3ccccn3c2=O)nc1 ZINC000729012882 662589419 /nfs/dbraw/zinc/58/94/19/662589419.db2.gz RUYCAMANJRVUBY-UHFFFAOYSA-N 0 0 308.297 0.729 10 30 DCEERN C=C(C)CCOC(=O)c1ccc2c(n1)n(C)c(=O)n(C)c2=O ZINC000174802535 662597483 /nfs/dbraw/zinc/59/74/83/662597483.db2.gz GIPSPZYYMHQCBE-UHFFFAOYSA-N 0 0 303.318 0.755 10 30 DCEERN C#CCOc1cccc(OC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000730497437 664776246 /nfs/dbraw/zinc/77/62/46/664776246.db2.gz HKHKJMBVTLXORU-UHFFFAOYSA-N 0 0 302.246 0.804 10 30 DCEERN C[C@@H]1CCCCN1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732669796 664951059 /nfs/dbraw/zinc/95/10/59/664951059.db2.gz RIFYRQUAKOADLB-TZMCWYRMSA-N 0 0 312.439 0.778 10 30 DCEERN CC(C)N1C(=O)CN(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O ZINC000732666195 664951128 /nfs/dbraw/zinc/95/11/28/664951128.db2.gz LCURGLUBKRESJC-CYBMUJFWSA-N 0 0 305.382 0.289 10 30 DCEERN N#C[C@H]1CN(C(=O)NCCOCC(F)(F)F)CCN1C1CC1 ZINC000732674527 664951558 /nfs/dbraw/zinc/95/15/58/664951558.db2.gz NRIJMEKDKNHCTJ-NSHDSACASA-N 0 0 320.315 0.947 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO ZINC000184954906 666308338 /nfs/dbraw/zinc/30/83/38/666308338.db2.gz JEXYSMIQAVZIGY-VXGBXAGGSA-N 0 0 304.346 0.770 10 30 DCEERN C#C[C@@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000700603067 666746037 /nfs/dbraw/zinc/74/60/37/666746037.db2.gz TUVIPIDJMSGWRA-NEPJUHHUSA-N 0 0 301.433 0.779 10 30 DCEERN C=C(COC(=O)c1cc(S(=O)(=O)NC)c[nH]1)C(=O)OCC ZINC000734026451 666836937 /nfs/dbraw/zinc/83/69/37/666836937.db2.gz FSVGFFNMSSGTTP-UHFFFAOYSA-N 0 0 316.335 0.199 10 30 DCEERN N#CCN1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742403598 667791265 /nfs/dbraw/zinc/79/12/65/667791265.db2.gz CXBYINJFHIWOGM-UHFFFAOYSA-N 0 0 319.390 0.606 10 30 DCEERN N#Cc1cc(S(N)(=O)=O)ccc1NCCSCCCO ZINC000742402830 667791444 /nfs/dbraw/zinc/79/14/44/667791444.db2.gz YUEJANSGXXYBDZ-UHFFFAOYSA-N 0 0 315.420 0.733 10 30 DCEERN C#CCOCCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000124810798 668145844 /nfs/dbraw/zinc/14/58/44/668145844.db2.gz KCVPIBWFZRHXGV-UHFFFAOYSA-N 0 0 318.377 0.920 10 30 DCEERN C#CCN1CCN(C(=O)[C@H](CCCC)NC(=O)NCC)CC1 ZINC000132928338 669756577 /nfs/dbraw/zinc/75/65/77/669756577.db2.gz LUWMCCGIUSUROI-AWEZNQCLSA-N 0 0 308.426 0.642 10 30 DCEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000159091925 669933496 /nfs/dbraw/zinc/93/34/96/669933496.db2.gz BMUVGOVYFXNSQS-NSHDSACASA-N 0 0 310.375 0.551 10 30 DCEERN N#C[C@@H]1CN(Cn2nnn(-c3ccccc3)c2=S)CCO1 ZINC000106064951 672278923 /nfs/dbraw/zinc/27/89/23/672278923.db2.gz DEFCODCJWUAVED-GFCCVEGCSA-N 0 0 302.363 0.980 10 30 DCEERN C=CCC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)OCC ZINC000456627858 685289677 /nfs/dbraw/zinc/28/96/77/685289677.db2.gz NJGAJKZQMJAQAU-RYUDHWBXSA-N 0 0 314.407 0.922 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000718149823 685304764 /nfs/dbraw/zinc/30/47/64/685304764.db2.gz IABOJJNMUDXJNC-MRVPVSSYSA-N 0 0 303.361 0.116 10 30 DCEERN COC(=O)C[C@H](C)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720315513 685312276 /nfs/dbraw/zinc/31/22/76/685312276.db2.gz YNKJPGOANBURNF-QMMMGPOBSA-N 0 0 300.311 0.927 10 30 DCEERN CCC(C#N)(CC)C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 ZINC000720861914 685316204 /nfs/dbraw/zinc/31/62/04/685316204.db2.gz KQFFIJSWGUHUQQ-ZDUSSCGKSA-N 0 0 302.396 0.636 10 30 DCEERN C=CCOC[C@H](NC(=O)Cc1cccc(OC)n1)C(=O)OC ZINC000338929555 1158852561 /nfs/dbraw/zinc/85/25/61/1158852561.db2.gz PJZYXWCNYCGMIE-LBPRGKRZSA-N 0 0 308.334 0.493 10 30 DCEERN CCc1nnc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC000181349817 199284606 /nfs/dbraw/zinc/28/46/06/199284606.db2.gz ACUAWKHDBPJMQY-NSHDSACASA-N 0 0 300.322 0.781 10 30 DCEERN CNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cn1 ZINC000185380779 530028086 /nfs/dbraw/zinc/02/80/86/530028086.db2.gz NSLBPWDRWSKJJM-UHFFFAOYSA-N 0 0 308.363 0.556 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000274929674 186441479 /nfs/dbraw/zinc/44/14/79/186441479.db2.gz LCORBNIEMJULCJ-GXTWGEPZSA-N 0 0 316.357 0.914 10 30 DCEERN C#CCN(CC#C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000174527135 198346801 /nfs/dbraw/zinc/34/68/01/198346801.db2.gz HPFDCBLQXIDGAY-UHFFFAOYSA-N 0 0 323.396 0.998 10 30 DCEERN CN(C)[C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000005674820 181270723 /nfs/dbraw/zinc/27/07/23/181270723.db2.gz ZUXPMFFUTUJZPE-CWFACMBSSA-N 0 0 311.363 0.741 10 30 DCEERN C[C@](C#N)(NC(=O)CN1CCC[C@H](n2cncn2)C1)C1CC1 ZINC000171616328 237138432 /nfs/dbraw/zinc/13/84/32/237138432.db2.gz XFKMIGJJKNENOS-DZGCQCFKSA-N 0 0 302.382 0.723 10 30 DCEERN C[C@](C#N)(NC(=O)CN1CCN(Cc2ccon2)CC1)C1CC1 ZINC000173931714 237162288 /nfs/dbraw/zinc/16/22/88/237162288.db2.gz KBKDFRJZUNCENG-MRXNPFEDSA-N 0 0 317.393 0.601 10 30 DCEERN N#CC1(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000173947693 237162786 /nfs/dbraw/zinc/16/27/86/237162786.db2.gz YCVRMIKSCWVHHY-OAHLLOKOSA-N 0 0 320.437 0.736 10 30 DCEERN C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@H]1N1CCOCC1 ZINC000246453784 238159791 /nfs/dbraw/zinc/15/97/91/238159791.db2.gz IZDYMVNSZPTZOJ-QWHCGFSZSA-N 0 0 301.412 0.272 10 30 DCEERN C=CCNC(=O)CNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000271911583 209316636 /nfs/dbraw/zinc/31/66/36/209316636.db2.gz AVCHRJANCPLAEQ-UHFFFAOYSA-N 0 0 303.366 0.863 10 30 DCEERN Cc1noc(CCNC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC000328731956 238556452 /nfs/dbraw/zinc/55/64/52/238556452.db2.gz IUGKWHBZBCZOMG-UHFFFAOYSA-N 0 0 317.353 0.447 10 30 DCEERN COCC(=O)NC1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC000329837036 238664131 /nfs/dbraw/zinc/66/41/31/238664131.db2.gz IBUQJGXPDDMFJP-JTQLQIEISA-N 0 0 322.365 0.351 10 30 DCEERN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000365590807 239125669 /nfs/dbraw/zinc/12/56/69/239125669.db2.gz VECOSRLNRUCFHM-GXTWGEPZSA-N 0 0 304.394 0.444 10 30 DCEERN N#C[C@H]1CN(S(=O)(=O)CC2CCOCC2)CCN1C1CC1 ZINC000363167876 239107609 /nfs/dbraw/zinc/10/76/09/239107609.db2.gz QBZXOYHYMIONEE-AWEZNQCLSA-N 0 0 313.423 0.415 10 30 DCEERN N#C[C@H]1CN(C(=O)CCCCc2c[nH]nn2)CCN1C1CC1 ZINC000373349514 239200960 /nfs/dbraw/zinc/20/09/60/239200960.db2.gz VKOMUTWDYYIKJU-AWEZNQCLSA-N 0 0 302.382 0.716 10 30 DCEERN N#C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)CCN1C1CC1 ZINC000374553062 239212777 /nfs/dbraw/zinc/21/27/77/239212777.db2.gz VLEUIAXUVNVMIJ-OAHLLOKOSA-N 0 0 323.360 0.475 10 30 DCEERN N#Cc1ccc(C[C@H](C#N)C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000376161739 239225025 /nfs/dbraw/zinc/22/50/25/239225025.db2.gz JMQZXWGOWSCICJ-CQSZACIVSA-N 0 0 306.329 0.916 10 30 DCEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(F)F)CC1 ZINC000407975772 239258224 /nfs/dbraw/zinc/25/82/24/239258224.db2.gz LKLKYTZREWUPPP-SNVBAGLBSA-N 0 0 310.370 0.348 10 30 DCEERN COC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC(C)(C)O1 ZINC000408028461 239259173 /nfs/dbraw/zinc/25/91/73/239259173.db2.gz SCMDWUGYOPPXRA-RYUDHWBXSA-N 0 0 319.427 0.591 10 30 DCEERN N#Cc1ccc(NC(=O)CCN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229931 193177371 /nfs/dbraw/zinc/17/73/71/193177371.db2.gz VJFQOFAJNZDRJH-CYBMUJFWSA-N 0 0 302.334 0.073 10 30 DCEERN N#Cc1ccnc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 ZINC000282870781 217291709 /nfs/dbraw/zinc/29/17/09/217291709.db2.gz APMGPQQNDPGOLW-ZDUSSCGKSA-N 0 0 316.386 0.995 10 30 DCEERN CNC(=O)CCN(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000175978304 252602450 /nfs/dbraw/zinc/60/24/50/252602450.db2.gz GHKGCIKQDJKCEG-UHFFFAOYSA-N 0 0 304.350 0.715 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000282630019 533141984 /nfs/dbraw/zinc/14/19/84/533141984.db2.gz KKNIDCZELIATDH-NWDGAFQWSA-N 0 0 312.399 0.251 10 30 DCEERN C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000374743255 533147087 /nfs/dbraw/zinc/14/70/87/533147087.db2.gz HSOJZPUTBDVUTP-QWRGUYRKSA-N 0 0 314.411 0.114 10 30 DCEERN CN1CC2(C1)[C@H](COc1ccc(C#N)cn1)CCS2(=O)=O ZINC000247963260 257113262 /nfs/dbraw/zinc/11/32/62/257113262.db2.gz GCFQEOXEVXAWPU-LBPRGKRZSA-N 0 0 307.375 0.451 10 30 DCEERN C=CCCC(=O)N1CC[C@H]2OCCN(S(C)(=O)=O)[C@@H]2C1 ZINC000247523413 257118710 /nfs/dbraw/zinc/11/87/10/257118710.db2.gz MCXJCYIJTLZSMR-VXGBXAGGSA-N 0 0 302.396 0.214 10 30 DCEERN CN1CCO[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000284719789 131106842 /nfs/dbraw/zinc/10/68/42/131106842.db2.gz RFUUEFQPWWMUDS-GJZGRUSLSA-N 0 0 321.402 0.652 10 30 DCEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@]1(CCO)CCOC1 ZINC000120149181 132139860 /nfs/dbraw/zinc/13/98/60/132139860.db2.gz VIZQFKUHDIABDW-OAHLLOKOSA-N 0 0 324.402 0.934 10 30 DCEERN CCOC(=O)CC[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000089657035 395714030 /nfs/dbraw/zinc/71/40/30/395714030.db2.gz ZZTSFPUIDIWJAO-SECBINFHSA-N 0 0 308.338 0.099 10 30 DCEERN C=CCOc1ccccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091866349 395727762 /nfs/dbraw/zinc/72/77/62/395727762.db2.gz RDWSIBNITWTJDP-AWEZNQCLSA-N 0 0 315.373 0.394 10 30 DCEERN CN(OCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000092826199 395733291 /nfs/dbraw/zinc/73/32/91/395733291.db2.gz DHHWXLSEZUTMSW-UHFFFAOYSA-N 0 0 300.318 0.524 10 30 DCEERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000042747739 395748689 /nfs/dbraw/zinc/74/86/89/395748689.db2.gz YMBUZDUKZBTRHF-PWSUYJOCSA-N 0 0 307.375 0.833 10 30 DCEERN COC(=O)CCN1CCN(C(=O)c2ccnc(C#N)c2)[C@@H](C)C1 ZINC000193753237 395778046 /nfs/dbraw/zinc/77/80/46/395778046.db2.gz UVGSNJLHOMNPCH-LBPRGKRZSA-N 0 0 316.361 0.663 10 30 DCEERN COC(=O)CCN1CCN(C(=O)c2ccnc(C#N)c2)[C@H](C)C1 ZINC000193753222 395778117 /nfs/dbraw/zinc/77/81/17/395778117.db2.gz UVGSNJLHOMNPCH-GFCCVEGCSA-N 0 0 316.361 0.663 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000273354400 395914937 /nfs/dbraw/zinc/91/49/37/395914937.db2.gz CHPZYFSVAYEOJR-ZDUSSCGKSA-N 0 0 317.345 0.405 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(OCC(=O)OC)c1 ZINC000273424552 395920573 /nfs/dbraw/zinc/92/05/73/395920573.db2.gz SMNWUDOYFUVYEA-ZDUSSCGKSA-N 0 0 322.361 0.975 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273578018 395931186 /nfs/dbraw/zinc/93/11/86/395931186.db2.gz MCWDDDOEIQQOKO-LBPRGKRZSA-N 0 0 321.333 0.768 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000273535612 395928325 /nfs/dbraw/zinc/92/83/25/395928325.db2.gz RUZHONZHPZPGAE-LBPRGKRZSA-N 0 0 307.350 0.287 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)N2CCC(C)CC2)CC1 ZINC000053422677 395883494 /nfs/dbraw/zinc/88/34/94/395883494.db2.gz GCLNUDHEIHLCQN-UHFFFAOYSA-N 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C=CCOCCCNC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000618526104 396988703 /nfs/dbraw/zinc/98/87/03/396988703.db2.gz KHTLEPBFQIJCGJ-UHFFFAOYSA-N 0 0 316.354 0.796 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@@H](C)O2)C1=O ZINC000618576306 396995090 /nfs/dbraw/zinc/99/50/90/396995090.db2.gz NTTMZJUTFJVDON-GHMZBOCLSA-N 0 0 323.349 0.037 10 30 DCEERN C=CCN1C(=O)C(=O)N(Cc2cnc(C(=O)OCC)s2)C1=O ZINC000601070702 396999123 /nfs/dbraw/zinc/99/91/23/396999123.db2.gz QOWCAHMHVWQBAF-UHFFFAOYSA-N 0 0 323.330 0.797 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000597567543 397016108 /nfs/dbraw/zinc/01/61/08/397016108.db2.gz QKTPFYNOULXYPW-POEZALAKSA-N 0 0 300.424 0.684 10 30 DCEERN C=CCOC[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)OC ZINC000597607107 397030262 /nfs/dbraw/zinc/03/02/62/397030262.db2.gz NKJGUGXISOUHCZ-GFCCVEGCSA-N 0 0 310.350 0.557 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CCO ZINC000612004103 396978639 /nfs/dbraw/zinc/97/86/39/396978639.db2.gz 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C=CC[C@@H](CO)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC000613485714 397265724 /nfs/dbraw/zinc/26/57/24/397265724.db2.gz ABANWGKZQXSALA-CFVMTHIKSA-N 0 0 319.361 0.033 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C(=O)OC)nc1 ZINC000602105702 397302097 /nfs/dbraw/zinc/30/20/97/397302097.db2.gz GCEJKEDBMQRYED-CQSZACIVSA-N 0 0 319.361 0.955 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000613850973 397335739 /nfs/dbraw/zinc/33/57/39/397335739.db2.gz WPAFRDHNLBSRLW-TZMCWYRMSA-N 0 0 309.410 0.975 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CC(COC)(C2CC2)C1 ZINC000602237738 397349522 /nfs/dbraw/zinc/34/95/22/397349522.db2.gz BDLXLJAFSDUQBN-UHFFFAOYSA-N 0 0 312.435 0.907 10 30 DCEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000599216794 397366853 /nfs/dbraw/zinc/36/68/53/397366853.db2.gz WFFZVLJDMPDCOE-JTQLQIEISA-N 0 0 302.338 0.854 10 30 DCEERN C=C(C)[C@@H](CO)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382898 397383405 /nfs/dbraw/zinc/38/34/05/397383405.db2.gz 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CN1CCOC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000408035929 160018311 /nfs/dbraw/zinc/01/83/11/160018311.db2.gz OPVVYYNQGPOJIG-MRXNPFEDSA-N 0 0 314.389 0.537 10 30 DCEERN Cc1cc(C#N)nc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)n1 ZINC000408036128 160018427 /nfs/dbraw/zinc/01/84/27/160018427.db2.gz PQPFYMRWXZEASG-INIZCTEOSA-N 0 0 315.377 0.610 10 30 DCEERN Cc1onc(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C#N ZINC000408151966 160048226 /nfs/dbraw/zinc/04/82/26/160048226.db2.gz YWJGDAJRWLDEKB-IAQYHMDHSA-N 0 0 318.377 0.576 10 30 DCEERN N#Cc1ncn(CC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)n1 ZINC000408369364 160093645 /nfs/dbraw/zinc/09/36/45/160093645.db2.gz WELZYYBISCCXEG-JTQLQIEISA-N 0 0 303.244 0.066 10 30 DCEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000132159363 287003820 /nfs/dbraw/zinc/00/38/20/287003820.db2.gz MSDZMQRDRKYACH-LLVKDONJSA-N 0 0 310.379 0.051 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000246068468 287076070 /nfs/dbraw/zinc/07/60/70/287076070.db2.gz CPMYIZXEJRZPKB-ZIAGYGMSSA-N 0 0 319.386 0.990 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000246127644 287077317 /nfs/dbraw/zinc/07/73/17/287077317.db2.gz UKXWUCFHQWGAKC-QWHCGFSZSA-N 0 0 320.374 0.385 10 30 DCEERN CC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000408342525 287204072 /nfs/dbraw/zinc/20/40/72/287204072.db2.gz XVTGEAOJNMIXGR-CHWSQXEVSA-N 0 0 317.411 0.347 10 30 DCEERN C=CCCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000076853657 415458303 /nfs/dbraw/zinc/45/83/03/415458303.db2.gz MCDMOKSIRGFDCU-UHFFFAOYSA-N 0 0 323.374 0.803 10 30 DCEERN CN1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)CCC1=O ZINC000089771342 415522583 /nfs/dbraw/zinc/52/25/83/415522583.db2.gz VHKGQBMJYFIHHE-ZDUSSCGKSA-N 0 0 301.346 0.868 10 30 DCEERN C#CCOc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531204 415542954 /nfs/dbraw/zinc/54/29/54/415542954.db2.gz PMIXFRZESXEDSU-CQSZACIVSA-N 0 0 308.403 0.822 10 30 DCEERN CN(CCC#N)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093884656 415548474 /nfs/dbraw/zinc/54/84/74/415548474.db2.gz VMNDWHPAJDYTCM-HUUCEWRRSA-N 0 0 300.362 0.866 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000285951741 415624537 /nfs/dbraw/zinc/62/45/37/415624537.db2.gz QFDFJVRPHIGRKS-AWEZNQCLSA-N 0 0 311.426 0.496 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)C2CCCC2)C1=O ZINC000287558476 415669145 /nfs/dbraw/zinc/66/91/45/415669145.db2.gz WTVGNTMLWYVYHN-GXTWGEPZSA-N 0 0 321.421 0.927 10 30 DCEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000288696356 415682416 /nfs/dbraw/zinc/68/24/16/415682416.db2.gz HZKIRTPTGLGIDM-AWEZNQCLSA-N 0 0 312.373 0.613 10 30 DCEERN C#CCC(CC#C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C ZINC000288520801 415683345 /nfs/dbraw/zinc/68/33/45/415683345.db2.gz SOYRTFOCKFSVNA-UHFFFAOYSA-N 0 0 318.398 0.921 10 30 DCEERN C#CCSCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000121441148 415806138 /nfs/dbraw/zinc/80/61/38/415806138.db2.gz BFISCLKDEOBLEL-CYBMUJFWSA-N 0 0 308.407 0.660 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(CCOC)nn1C ZINC000127151488 415884848 /nfs/dbraw/zinc/88/48/48/415884848.db2.gz VQHYGFZSPMIHPX-UHFFFAOYSA-N 0 0 308.382 0.972 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCC)c1 ZINC000337073840 415902734 /nfs/dbraw/zinc/90/27/34/415902734.db2.gz PCSZNBJPJWFDKC-GFCCVEGCSA-N 0 0 312.391 0.652 10 30 DCEERN CS(=O)(=O)c1cc(N2CCO[C@@H](C#N)C2)ccc1[N+](=O)[O-] ZINC000124824484 415853180 /nfs/dbraw/zinc/85/31/80/415853180.db2.gz PPMGHCPPDPTCTC-JTQLQIEISA-N 0 0 311.319 0.727 10 30 DCEERN CC#CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000293594831 415857991 /nfs/dbraw/zinc/85/79/91/415857991.db2.gz XIAARYOSLDDTBY-UHFFFAOYSA-N 0 0 302.330 0.822 10 30 DCEERN C=CCn1c(C)nnc1N1CCN(c2cc(OC)ncn2)CC1 ZINC000337708050 415999678 /nfs/dbraw/zinc/99/96/78/415999678.db2.gz ATXCTAQLKLKOMS-UHFFFAOYSA-N 0 0 315.381 0.898 10 30 DCEERN CCCS(=O)(=O)CC(=O)NCCOc1ccc(C#N)cc1 ZINC000173895885 416067690 /nfs/dbraw/zinc/06/76/90/416067690.db2.gz AMEFGPDAJIDLKR-UHFFFAOYSA-N 0 0 310.375 0.878 10 30 DCEERN Cc1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)no1 ZINC000174155665 416073520 /nfs/dbraw/zinc/07/35/20/416073520.db2.gz TUQQCGWLJPYGCQ-UHFFFAOYSA-N 0 0 314.301 0.988 10 30 DCEERN Cc1cnc(CCN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)s1 ZINC000165986368 416020990 /nfs/dbraw/zinc/02/09/90/416020990.db2.gz BOEFWFXCTJYIIV-UHFFFAOYSA-N 0 0 319.390 0.400 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000298831052 416031848 /nfs/dbraw/zinc/03/18/48/416031848.db2.gz VREBXVANDPPUJF-OLZOCXBDSA-N 0 0 307.394 0.681 10 30 DCEERN C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@@H]1N1CCOCC1 ZINC000176197958 416120079 /nfs/dbraw/zinc/12/00/79/416120079.db2.gz LCIDOWOGMSARRD-DOMZBBRYSA-N 0 0 302.378 0.689 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NC)CC1 ZINC000320438233 416120881 /nfs/dbraw/zinc/12/08/81/416120881.db2.gz CHUSABRFLTZHBK-UHFFFAOYSA-N 0 0 316.405 0.788 10 30 DCEERN CN1CCO[C@@H]2CCN(C(=O)NCC3([S@](C)=O)CC3)C[C@@H]21 ZINC000328891942 416136788 /nfs/dbraw/zinc/13/67/88/416136788.db2.gz STTZADZCQGZGFI-DCVWQXJKSA-N 0 0 315.439 0.216 10 30 DCEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](C(N)=O)C1 ZINC000338858814 416148191 /nfs/dbraw/zinc/14/81/91/416148191.db2.gz FQJRYLZWIUZJCQ-GFCCVEGCSA-N 0 0 317.349 0.805 10 30 DCEERN CC#CCN(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000339127081 416152441 /nfs/dbraw/zinc/15/24/41/416152441.db2.gz BHOZNJGXGMCQSL-UHFFFAOYSA-N 0 0 306.387 0.796 10 30 DCEERN CC1(CO)CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329372546 416166940 /nfs/dbraw/zinc/16/69/40/416166940.db2.gz JKCDYAAKXSAOGG-NWDGAFQWSA-N 0 0 309.370 0.226 10 30 DCEERN O=C(NC[C@@H]1COc2ccccc2O1)N1CCn2cnnc2C1 ZINC000329386230 416167042 /nfs/dbraw/zinc/16/70/42/416167042.db2.gz SIMJIRGAAGKZLF-LLVKDONJSA-N 0 0 315.333 0.848 10 30 DCEERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000329565859 416176303 /nfs/dbraw/zinc/17/63/03/416176303.db2.gz OMNWSHPFFTWKFE-STQMWFEESA-N 0 0 319.365 0.493 10 30 DCEERN Cc1nccn1CC[NH+]=C([O-])N1CCS(=O)(=O)[C@H](C)C1 ZINC000329747931 416189455 /nfs/dbraw/zinc/18/94/55/416189455.db2.gz SRGXJLJJUCEOEE-SNVBAGLBSA-N 0 0 300.384 0.224 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000346444389 416194861 /nfs/dbraw/zinc/19/48/61/416194861.db2.gz XBPREPPORXJNIZ-CYBMUJFWSA-N 0 0 303.362 0.709 10 30 DCEERN CC[C@@H]1CCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330274592 416199664 /nfs/dbraw/zinc/19/96/64/416199664.db2.gz KJYQXSIWTTXQAJ-VHSXEESVSA-N 0 0 303.384 0.528 10 30 DCEERN C=CCNC(=O)CNC(=O)NCc1cccc(OCCOC)c1 ZINC000346719437 416203813 /nfs/dbraw/zinc/20/38/13/416203813.db2.gz AVJBJIUHDHPUON-UHFFFAOYSA-N 0 0 321.377 0.813 10 30 DCEERN C=CCn1c(C)nnc1S(=O)(=O)Cc1cnc(OC)nc1C ZINC000341211223 416205363 /nfs/dbraw/zinc/20/53/63/416205363.db2.gz SGNCOJBIKXSNFR-UHFFFAOYSA-N 0 0 323.378 0.853 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000350006940 416263542 /nfs/dbraw/zinc/26/35/42/416263542.db2.gz GJKOXQDQEDHHOI-VIFPVBQESA-N 0 0 303.336 0.672 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000349967217 416264755 /nfs/dbraw/zinc/26/47/55/416264755.db2.gz GSCQVLSPEJTAEE-LLVKDONJSA-N 0 0 313.375 0.997 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000350386725 416267732 /nfs/dbraw/zinc/26/77/32/416267732.db2.gz COOQJXNAPWLPLJ-FRRDWIJNSA-N 0 0 302.371 0.043 10 30 DCEERN C[C@@H]1CCNC(=O)[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000193573517 416317505 /nfs/dbraw/zinc/31/75/05/416317505.db2.gz GVIDQPYZZJJNQC-RISCZKNCSA-N 0 0 321.402 0.446 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1CCOC ZINC000190926725 416283803 /nfs/dbraw/zinc/28/38/03/416283803.db2.gz LGVIGUJLDIGKHM-CYBMUJFWSA-N 0 0 306.362 0.867 10 30 DCEERN C#CCN(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000191129923 416285445 /nfs/dbraw/zinc/28/54/45/416285445.db2.gz LWIMKCNFMJHYNO-JTQLQIEISA-N 0 0 305.359 0.205 10 30 DCEERN N#Cc1ccsc1NC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000368814865 416694636 /nfs/dbraw/zinc/69/46/36/416694636.db2.gz XDGJTMASDSGGNF-GFCCVEGCSA-N 0 0 306.391 0.575 10 30 DCEERN N#CCNC(=O)CNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000554172544 416705817 /nfs/dbraw/zinc/70/58/17/416705817.db2.gz WFWNDDBCXGLBHI-UHFFFAOYSA-N 0 0 317.349 0.284 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(C(C)C)n1 ZINC000425794986 416726842 /nfs/dbraw/zinc/72/68/42/416726842.db2.gz FMPZCRVVMWAOAA-RYUDHWBXSA-N 0 0 306.366 1.110 10 30 DCEERN N#Cc1cc(NCCN2CCN(C(=O)C3CCC3)CC2)ncn1 ZINC000562419592 416863833 /nfs/dbraw/zinc/86/38/33/416863833.db2.gz LYIFPUOBSLGILJ-UHFFFAOYSA-N 0 0 314.393 0.704 10 30 DCEERN O=C(C#Cc1ccccc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000369991496 416864874 /nfs/dbraw/zinc/86/48/74/416864874.db2.gz RRGDWKBBLUTDMF-MRXNPFEDSA-N 0 0 312.369 0.934 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000519100431 416890901 /nfs/dbraw/zinc/89/09/01/416890901.db2.gz DRQIYDXNGWMBOW-KGLIPLIRSA-N 0 0 324.425 0.135 10 30 DCEERN C=CC[C@H]1CCN(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000623526593 416836688 /nfs/dbraw/zinc/83/66/88/416836688.db2.gz IBSQNHYNQUKSEI-LBPRGKRZSA-N 0 0 301.412 0.630 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC000615556639 416858506 /nfs/dbraw/zinc/85/85/06/416858506.db2.gz PIZKAQDUDQXOSE-JKSUJKDBSA-N 0 0 323.437 0.781 10 30 DCEERN C=CCCn1cc(C(=O)N2CCN(c3ncns3)CC2)nn1 ZINC000615808974 416913361 /nfs/dbraw/zinc/91/33/61/416913361.db2.gz VSCJVXMPOMMILD-UHFFFAOYSA-N 0 0 319.394 0.668 10 30 DCEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC000519543883 416914624 /nfs/dbraw/zinc/91/46/24/416914624.db2.gz ARPQPTVVYQVHHY-VXGBXAGGSA-N 0 0 321.381 0.219 10 30 DCEERN C=CC[C@@H]1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000624008401 416936954 /nfs/dbraw/zinc/93/69/54/416936954.db2.gz XKYXEYBDAIZBCA-VOMCLLRMSA-N 0 0 301.412 0.674 10 30 DCEERN C#CCCCS(=O)(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000376344778 417028306 /nfs/dbraw/zinc/02/83/06/417028306.db2.gz UVOLAKZKUIOGLO-GFCCVEGCSA-N 0 0 308.407 0.981 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000565919177 417033040 /nfs/dbraw/zinc/03/30/40/417033040.db2.gz FOOCWYIYFUZDHD-LLVKDONJSA-N 0 0 305.334 0.086 10 30 DCEERN C[Si](C)(C)CCOCn1cc(N2C=CC(=O)[C@@H](CO)N2)cn1 ZINC000616214995 416988812 /nfs/dbraw/zinc/98/88/12/416988812.db2.gz QLCGLRVYUZBHSG-CYBMUJFWSA-N 0 0 324.457 0.964 10 30 DCEERN C=CCC1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCOCC1 ZINC000566122378 417042411 /nfs/dbraw/zinc/04/24/11/417042411.db2.gz IQJIVVMZMIPTCR-LLVKDONJSA-N 0 0 307.350 0.122 10 30 DCEERN C=CCCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000447942146 417047926 /nfs/dbraw/zinc/04/79/26/417047926.db2.gz UCUWLEFOWRVFSZ-UHFFFAOYSA-N 0 0 309.347 0.461 10 30 DCEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1O ZINC000616583158 417081397 /nfs/dbraw/zinc/08/13/97/417081397.db2.gz OMBCPFYQIULSGV-HLZFJGBKSA-N 0 0 308.330 0.750 10 30 DCEERN C[C@@H](CNc1ncc(Br)cc1C#N)S(N)(=O)=O ZINC000398241529 417106181 /nfs/dbraw/zinc/10/61/81/417106181.db2.gz PGLBRVQONIVSIR-LURJTMIESA-N 0 0 319.184 0.805 10 30 DCEERN C=CCN([C@H](C)COC)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000632547772 417155474 /nfs/dbraw/zinc/15/54/74/417155474.db2.gz UOLPSLWRZOJMPI-VXGBXAGGSA-N 0 0 304.412 0.460 10 30 DCEERN C=C(C)CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC000632572488 417169100 /nfs/dbraw/zinc/16/91/00/417169100.db2.gz YENYMJVMBATAHA-KGLIPLIRSA-N 0 0 306.366 0.401 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617254647 417187746 /nfs/dbraw/zinc/18/77/46/417187746.db2.gz RCRCSZWAEPZTFC-ZIAGYGMSSA-N 0 0 305.382 0.598 10 30 DCEERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C#N)n1C ZINC000451245581 417322371 /nfs/dbraw/zinc/32/23/71/417322371.db2.gz OXQFWXYRUMKGJL-UWVGGRQHSA-N 0 0 320.349 0.083 10 30 DCEERN C=C(C)CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000451800601 417399661 /nfs/dbraw/zinc/39/96/61/417399661.db2.gz DQVVXYAFUDEHLW-UHFFFAOYSA-N 0 0 324.468 0.544 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000571277286 417442535 /nfs/dbraw/zinc/44/25/35/417442535.db2.gz FSTXHOYTWISGCW-QWRGUYRKSA-N 0 0 311.363 0.050 10 30 DCEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000529751065 417498125 /nfs/dbraw/zinc/49/81/25/417498125.db2.gz JCFRZGRLDSRACF-JKIFEVAISA-N 0 0 324.421 0.310 10 30 DCEERN C=CCCCCCNC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000575138004 417515026 /nfs/dbraw/zinc/51/50/26/417515026.db2.gz MFXOACXOPWLIAW-UHFFFAOYSA-N 0 0 323.437 0.830 10 30 DCEERN C=C(C)[C@@H](CC(=O)N1CCN(c2nccnn2)CC1)OCC ZINC000628380973 417615266 /nfs/dbraw/zinc/61/52/66/417615266.db2.gz MHCDOQLDCJMTLL-CYBMUJFWSA-N 0 0 305.382 0.892 10 30 DCEERN C=CCOCCCNC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635208930 417609217 /nfs/dbraw/zinc/60/92/17/417609217.db2.gz CDQSFBFINWYKOD-UHFFFAOYSA-N 0 0 306.366 0.867 10 30 DCEERN CC(=O)N1CCN(CCNC(=O)Cc2cccc(C#N)c2)CC1 ZINC000531384735 417621881 /nfs/dbraw/zinc/62/18/81/417621881.db2.gz GWGMTZZQTCYXTQ-UHFFFAOYSA-N 0 0 314.389 0.381 10 30 DCEERN C=CC[C@H]1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000628490765 417626959 /nfs/dbraw/zinc/62/69/59/417626959.db2.gz GHMOUYIPFILUFY-STQMWFEESA-N 0 0 300.424 0.530 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[C@H]2C2CC2)C1=O ZINC000456878658 417668635 /nfs/dbraw/zinc/66/86/35/417668635.db2.gz KBUGPOIGXSMOEE-QWRGUYRKSA-N 0 0 305.334 0.126 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000487136690 267130516 /nfs/dbraw/zinc/13/05/16/267130516.db2.gz YNBOMXJDSFRKSY-WDEREUQCSA-N 0 0 317.345 0.744 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C#N)cs1 ZINC000488259713 267131131 /nfs/dbraw/zinc/13/11/31/267131131.db2.gz CGAFPGSTPYTFQO-RKDXNWHRSA-N 0 0 323.374 0.806 10 30 DCEERN COC(=O)C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)CCO1 ZINC000531462605 267368749 /nfs/dbraw/zinc/36/87/49/267368749.db2.gz ONFSEEKVKROMDI-AWEZNQCLSA-N 0 0 302.330 0.891 10 30 DCEERN N#Cc1cccc(CC(=O)NCCN2CCCS2(=O)=O)c1 ZINC000531386612 268274709 /nfs/dbraw/zinc/27/47/09/268274709.db2.gz PENQCRDKEVEUNO-UHFFFAOYSA-N 0 0 307.375 0.252 10 30 DCEERN C[C@H](C(=O)NCC[C@H]1c2ccccc2NC1=O)n1cnc(C#N)n1 ZINC000546671052 288024647 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C=CCCCN(C)C(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000341540605 527179029 /nfs/dbraw/zinc/17/90/29/527179029.db2.gz BEXYUZPKGNVOOF-UHFFFAOYSA-N 0 0 321.381 0.914 10 30 DCEERN C=CC[C@H](CO)NC(=O)CCN1C(=O)COc2ccccc21 ZINC000185833705 527192852 /nfs/dbraw/zinc/19/28/52/527192852.db2.gz VTOFCBMLEACSMO-GFCCVEGCSA-N 0 0 304.346 0.855 10 30 DCEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000186329225 527201813 /nfs/dbraw/zinc/20/18/13/527201813.db2.gz VCVPIYGYYDIIFU-NEPJUHHUSA-N 0 0 321.381 0.070 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000185812139 527204007 /nfs/dbraw/zinc/20/40/07/527204007.db2.gz NGRJLADAZGTQFB-HUUCEWRRSA-N 0 0 317.389 0.987 10 30 DCEERN C=CCCCNC(=O)C(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000342476449 527205158 /nfs/dbraw/zinc/20/51/58/527205158.db2.gz HXQREOSOQKLLHY-CZUORRHYSA-N 0 0 310.394 0.865 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000282446988 527210260 /nfs/dbraw/zinc/21/02/60/527210260.db2.gz HBRYGRQHAZSFGK-GFCCVEGCSA-N 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546045187 /nfs/dbraw/zinc/04/51/87/546045187.db2.gz JCKPBQLNPPPLGW-GFCCVEGCSA-N 0 0 305.382 0.469 10 30 DCEERN CCn1nc(C(=O)N2CCO[C@H](C#N)C2)c(=O)c2ccccc21 ZINC000329574989 546052071 /nfs/dbraw/zinc/05/20/71/546052071.db2.gz RXQIBASBVJLLNO-LLVKDONJSA-N 0 0 312.329 0.781 10 30 DCEERN C#CCN1CCN(C(=O)c2cnc3c(cnn3C)c2OC)CC1 ZINC000182300039 665775888 /nfs/dbraw/zinc/77/58/88/665775888.db2.gz UECJNRZPUXRHIU-UHFFFAOYSA-N 0 0 313.361 0.368 10 30 DCEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)NCC(N)=O ZINC000727082530 662133674 /nfs/dbraw/zinc/13/36/74/662133674.db2.gz MCMYTSZKAUVOAN-UHFFFAOYSA-N 0 0 308.363 0.943 10 30 DCEERN C#Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cn1 ZINC000728819916 662457288 /nfs/dbraw/zinc/45/72/88/662457288.db2.gz OTPPJXJDSSYZAG-UHFFFAOYSA-N 0 0 322.324 0.530 10 30 DCEERN C#CCN(C(=O)COc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332721 662788168 /nfs/dbraw/zinc/78/81/68/662788168.db2.gz VYIYXHRGWUCRIA-LLVKDONJSA-N 0 0 312.347 0.011 10 30 DCEERN CC(C)Cn1ncc2cc(C(=O)OCC(=O)NCC#N)cnc21 ZINC000731245888 664850203 /nfs/dbraw/zinc/85/02/03/664850203.db2.gz QJWTYYNGLUAREY-UHFFFAOYSA-N 0 0 315.333 0.884 10 30 DCEERN N#C[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)CCN1C1CC1 ZINC000732663604 664950432 /nfs/dbraw/zinc/95/04/32/664950432.db2.gz ALAUDAFUFMSVTM-OAHLLOKOSA-N 0 0 318.421 0.882 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCOC[C@H]2CCOC2)CCN1C1CC1 ZINC000732677397 664950658 /nfs/dbraw/zinc/95/06/58/664950658.db2.gz MJBCGUOCYCAZCL-DZGCQCFKSA-N 0 0 322.409 0.421 10 30 DCEERN N#C[C@H]1CN(C(=O)c2cc3c(cc2O)OCO3)CCN1C1CC1 ZINC000732677884 664950830 /nfs/dbraw/zinc/95/08/30/664950830.db2.gz CJWILQZWJPWNFU-NSHDSACASA-N 0 0 315.329 0.933 10 30 DCEERN C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732669926 664951383 /nfs/dbraw/zinc/95/13/83/664951383.db2.gz RKYUWLJCFFWILN-BXUZGUMPSA-N 0 0 312.439 0.634 10 30 DCEERN CS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)o1 ZINC000733107559 665072096 /nfs/dbraw/zinc/07/20/96/665072096.db2.gz 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301.350 0.594 10 30 DCEERN Cc1cnnn1C[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C1(C#N)CC1 ZINC000253598674 238163948 /nfs/dbraw/zinc/16/39/48/238163948.db2.gz BTQGIXWIMTUCLV-IHRRRGAJSA-N 0 0 315.377 0.896 10 30 DCEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000286465211 238417881 /nfs/dbraw/zinc/41/78/81/238417881.db2.gz VDRGKOGYTGTHNF-UKRRQHHQSA-N 0 0 317.393 0.556 10 30 DCEERN O=C(Cc1ccon1)NCCS(=O)(=O)N1CCSCC1 ZINC000329500330 238629457 /nfs/dbraw/zinc/62/94/57/238629457.db2.gz HHOVJITVPIZTLJ-UHFFFAOYSA-N 0 0 319.408 0.552 10 30 DCEERN NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)[nH]1 ZINC000006330108 181330282 /nfs/dbraw/zinc/33/02/82/181330282.db2.gz OVTUZOMTYBPXOM-YIXHJXPBSA-N 0 0 308.323 0.239 10 30 DCEERN N#C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000363662428 239113729 /nfs/dbraw/zinc/11/37/29/239113729.db2.gz VMAIGAYNZOVWPB-VXGBXAGGSA-N 0 0 309.391 0.439 10 30 DCEERN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000367490500 239146211 /nfs/dbraw/zinc/14/62/11/239146211.db2.gz 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/nfs/dbraw/zinc/29/87/58/240298758.db2.gz KRGLCTBYFZTTPY-STQMWFEESA-N 0 0 317.411 0.274 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000425177325 240300376 /nfs/dbraw/zinc/30/03/76/240300376.db2.gz FSUWXDQLDQWEQK-JSGCOSHPSA-N 0 0 324.402 0.916 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000425182218 240301102 /nfs/dbraw/zinc/30/11/02/240301102.db2.gz ZMJXJWQYKLNFHV-AGIUHOORSA-N 0 0 301.412 0.893 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nc(C(F)F)no2)CC1 ZINC000425382630 240337199 /nfs/dbraw/zinc/33/71/99/240337199.db2.gz IPXDCBGEXXQQAA-UHFFFAOYSA-N 0 0 315.324 0.427 10 30 DCEERN N#Cc1ccnc(NC(=O)Cn2nnc3ccccc3c2=O)c1 ZINC000435990666 240454303 /nfs/dbraw/zinc/45/43/03/240454303.db2.gz BWGVZJPIQRFCLP-UHFFFAOYSA-N 0 0 306.285 0.697 10 30 DCEERN Cn1c(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(C#N)c(=O)n(C)c1=O ZINC000333726724 252757058 /nfs/dbraw/zinc/75/70/58/252757058.db2.gz SNRXIOFYQIYREJ-PBYNLASCSA-N 0 0 314.389 0.828 10 30 DCEERN COc1c2cnn(C)c2ncc1C(=O)N1CCO[C@@H](C#N)C1 ZINC000408186037 533452374 /nfs/dbraw/zinc/45/23/74/533452374.db2.gz OZTPMOVJHWQHKX-VIFPVBQESA-N 0 0 301.306 0.341 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122056696 132161334 /nfs/dbraw/zinc/16/13/34/132161334.db2.gz HUPZLLKEODLAIX-VXGBXAGGSA-N 0 0 322.386 0.971 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)OC)cc2C1=O ZINC000023150220 395692263 /nfs/dbraw/zinc/69/22/63/395692263.db2.gz UDLRVYTYNGRAJK-UHFFFAOYSA-N 0 0 316.313 0.762 10 30 DCEERN CN1CCO[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000108399492 395789079 /nfs/dbraw/zinc/78/90/79/395789079.db2.gz YDRXWJLOIVZBCR-AWEZNQCLSA-N 0 0 309.391 0.308 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000116891157 395848625 /nfs/dbraw/zinc/84/86/25/395848625.db2.gz WJOOOKDXPOBLRL-CYBMUJFWSA-N 0 0 309.391 0.561 10 30 DCEERN N#C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CC1 ZINC000108828731 395793760 /nfs/dbraw/zinc/79/37/60/395793760.db2.gz BRETVDMUNDSZDB-AVGNSLFASA-N 0 0 303.362 0.970 10 30 DCEERN Cc1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)ccc1C#N ZINC000234348837 395888456 /nfs/dbraw/zinc/88/84/56/395888456.db2.gz KDSUPWNNYFBSKB-LBPRGKRZSA-N 0 0 307.375 0.766 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000273416239 395919993 /nfs/dbraw/zinc/91/99/93/395919993.db2.gz JTPGESXOAIWVFU-SNVBAGLBSA-N 0 0 317.338 0.828 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccnc1OC(C)C ZINC000273419084 395920033 /nfs/dbraw/zinc/92/00/33/395920033.db2.gz MEWBFTQVHZEBGV-LLVKDONJSA-N 0 0 307.350 0.861 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC(C)C)nc1 ZINC000273470485 395924047 /nfs/dbraw/zinc/92/40/47/395924047.db2.gz XJUJCZVKQJIDAY-GFCCVEGCSA-N 0 0 307.350 0.861 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)nc1Cl ZINC000273478141 395924051 /nfs/dbraw/zinc/92/40/51/395924051.db2.gz ZDZKDGTZTFEBCP-QMMMGPOBSA-N 0 0 313.741 0.735 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000273534782 395928178 /nfs/dbraw/zinc/92/81/78/395928178.db2.gz RLRSMXJNRUQKLD-VIFPVBQESA-N 0 0 316.335 0.819 10 30 DCEERN CC[C@H]1CN(C(=O)c2ccc(C#N)cn2)CCN1C[C@H](C)O ZINC000246736699 395956320 /nfs/dbraw/zinc/95/63/20/395956320.db2.gz FXCLUMFNEGDYJG-JSGCOSHPSA-N 0 0 302.378 0.870 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCCCSC)CC1 ZINC000153503349 396025180 /nfs/dbraw/zinc/02/51/80/396025180.db2.gz ZUXPOWHFEZLDJI-UHFFFAOYSA-N 0 0 314.455 0.369 10 30 DCEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1O ZINC000255992510 396033134 /nfs/dbraw/zinc/03/31/34/396033134.db2.gz OMBCPFYQIULSGV-VTMBPIDISA-N 0 0 308.330 0.750 10 30 DCEERN O=C(N=S(=O)([O-])c1ccccc1)NC[C@H]1C[NH2+]CCOC1 ZINC000072141859 396127401 /nfs/dbraw/zinc/12/74/01/396127401.db2.gz XBAOJDKKBORKSU-LLVKDONJSA-N 0 0 313.379 0.115 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279509616 396180594 /nfs/dbraw/zinc/18/05/94/396180594.db2.gz QEUJMVHDTLWYOK-QGZVFWFLSA-N 0 0 311.341 0.345 10 30 DCEERN CC1(C)CNC(=O)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000281963677 396252100 /nfs/dbraw/zinc/25/21/00/396252100.db2.gz JMWOADJNYFZZBF-UHFFFAOYSA-N 0 0 307.375 0.598 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCCCC2CC2)CC1 ZINC000077624009 396227947 /nfs/dbraw/zinc/22/79/47/396227947.db2.gz QOYULVLTPIELGL-UHFFFAOYSA-N 0 0 308.426 0.806 10 30 DCEERN Cn1c(NCc2cn3c(n2)CCCC3)c(C#N)c(=O)n(C)c1=O ZINC000263762558 396229394 /nfs/dbraw/zinc/22/93/94/396229394.db2.gz IKWFDURKVAYPAG-UHFFFAOYSA-N 0 0 314.349 0.101 10 30 DCEERN C=CCCCN(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000265641654 396333464 /nfs/dbraw/zinc/33/34/64/396333464.db2.gz RZSOZCMWTVMGME-UHFFFAOYSA-N 0 0 300.384 0.345 10 30 DCEERN CN1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000191108114 396415713 /nfs/dbraw/zinc/41/57/13/396415713.db2.gz WKHKYSCABJDSGH-CQSZACIVSA-N 0 0 303.362 0.462 10 30 DCEERN CC[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)N1CCOCC1 ZINC000193477961 396452109 /nfs/dbraw/zinc/45/21/09/396452109.db2.gz QWJQRXLJJLOBSM-ZDUSSCGKSA-N 0 0 302.334 0.320 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1F ZINC000292300873 396543841 /nfs/dbraw/zinc/54/38/41/396543841.db2.gz MWZGAEMMNSRQSD-CQSZACIVSA-N 0 0 323.349 0.598 10 30 DCEERN C=CCOCCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000595168962 396560165 /nfs/dbraw/zinc/56/01/65/396560165.db2.gz YSQDJRIWDFNCKP-UHFFFAOYSA-N 0 0 302.334 0.909 10 30 DCEERN CNC(=O)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1c1cnn(C)c1 ZINC000585790237 396656481 /nfs/dbraw/zinc/65/64/81/396656481.db2.gz UBJGBLVLJJUGLJ-KGLIPLIRSA-N 0 0 310.361 0.653 10 30 DCEERN N#Cc1ccc(F)c(CN2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000585803662 396659019 /nfs/dbraw/zinc/65/90/19/396659019.db2.gz VOKZRRIGLYYQAC-OAHLLOKOSA-N 0 0 301.325 0.926 10 30 DCEERN C=CCSCCNC(=O)C(=O)N1CCn2cc(C)nc2C1 ZINC000586813231 396667738 /nfs/dbraw/zinc/66/77/38/396667738.db2.gz FMFXRQHZXUWZOB-UHFFFAOYSA-N 0 0 308.407 0.569 10 30 DCEERN C[C@H]1COCCCN1C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860086 396669224 /nfs/dbraw/zinc/66/92/24/396669224.db2.gz RYUPXGGXBWAFII-NSHDSACASA-N 0 0 319.336 0.951 10 30 DCEERN Cc1cc(S(N)(=O)=O)ccc1CNc1ccncc1C#N ZINC000588035025 396675196 /nfs/dbraw/zinc/67/51/96/396675196.db2.gz UXSHUTUWQADJKY-UHFFFAOYSA-N 0 0 302.359 0.943 10 30 DCEERN C=CCOc1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)cc1 ZINC000629418960 396752114 /nfs/dbraw/zinc/75/21/14/396752114.db2.gz OWYNHDVCCDESBW-CQSZACIVSA-N 0 0 304.346 0.968 10 30 DCEERN C[C@H](O)C[C@H]1CCCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329383313 396844312 /nfs/dbraw/zinc/84/43/12/396844312.db2.gz OVXMXZCUYXYJEI-RFQIPJPRSA-N 0 0 323.397 0.757 10 30 DCEERN C=CCn1c(COCCOC)nnc1N1CC2(C1)CCCO2 ZINC000634339063 396844387 /nfs/dbraw/zinc/84/43/87/396844387.db2.gz WDKQFWOASFZZAU-UHFFFAOYSA-N 0 0 308.382 0.996 10 30 DCEERN C=C(C)Cn1c(COCCOC)nnc1N1CCNC(=O)CC1 ZINC000634383468 396847014 /nfs/dbraw/zinc/84/70/14/396847014.db2.gz ASDYMGOVWGGMTB-UHFFFAOYSA-N 0 0 323.397 0.344 10 30 DCEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329639508 396848218 /nfs/dbraw/zinc/84/82/18/396848218.db2.gz ZHGGBVAJEHGYFS-FRRDWIJNSA-N 0 0 320.397 0.350 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000611548235 396884822 /nfs/dbraw/zinc/88/48/22/396884822.db2.gz MWSJQFNODSGWSM-UHFFFAOYSA-N 0 0 303.318 0.824 10 30 DCEERN C=CCOCCNS(=O)(=O)N1CCC(C(=O)OCC)CC1 ZINC000611542014 396884926 /nfs/dbraw/zinc/88/49/26/396884926.db2.gz AODZVIGDLHPUSD-UHFFFAOYSA-N 0 0 320.411 0.299 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000611725782 396918323 /nfs/dbraw/zinc/91/83/23/396918323.db2.gz QMJBVTWZPLFDDT-MJBXVCDLSA-N 0 0 322.405 0.769 10 30 DCEERN C=CCC1(NC(=O)c2ccc(-n3cnnn3)cn2)CCOCC1 ZINC000618252782 396942455 /nfs/dbraw/zinc/94/24/55/396942455.db2.gz YDQDLUPXRJLHMT-UHFFFAOYSA-N 0 0 314.349 0.912 10 30 DCEERN C=CCOCCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000618514883 396987201 /nfs/dbraw/zinc/98/72/01/396987201.db2.gz OTUYZPBAVNVVIR-UHFFFAOYSA-N 0 0 320.345 0.854 10 30 DCEERN C=CCOCCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000618513943 396987247 /nfs/dbraw/zinc/98/72/47/396987247.db2.gz HCMFFTYYXXLGLQ-UHFFFAOYSA-N 0 0 318.333 0.357 10 30 DCEERN C=CCOCCCNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000618526136 396988258 /nfs/dbraw/zinc/98/82/58/396988258.db2.gz MECVQEFCFRYMKH-ZDUSSCGKSA-N 0 0 318.439 0.755 10 30 DCEERN C=CCOCCCNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000618522897 396988708 /nfs/dbraw/zinc/98/87/08/396988708.db2.gz XSTUXEMYAAILTQ-UHFFFAOYSA-N 0 0 312.391 0.798 10 30 DCEERN C=CCOCCCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O ZINC000618521469 396988991 /nfs/dbraw/zinc/98/89/91/396988991.db2.gz WDGTUPIBGOVAOA-UHFFFAOYSA-N 0 0 316.379 0.866 10 30 DCEERN C=CCOCCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000618525613 396988996 /nfs/dbraw/zinc/98/89/96/396988996.db2.gz GCDJRYDIPDRGGV-NSHDSACASA-N 0 0 306.428 0.659 10 30 DCEERN C=CCOCCCC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676366 397010270 /nfs/dbraw/zinc/01/02/70/397010270.db2.gz QOKXUJCFWPHDPK-GFCCVEGCSA-N 0 0 304.412 0.462 10 30 DCEERN C=CCOC[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)OC ZINC000597606141 397030168 /nfs/dbraw/zinc/03/01/68/397030168.db2.gz DXCKUZZZGKUVNT-GWCFXTLKSA-N 0 0 307.350 0.375 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000611991226 396975061 /nfs/dbraw/zinc/97/50/61/396975061.db2.gz PERPODXTZVRYET-LLVKDONJSA-N 0 0 319.352 0.151 10 30 DCEERN C=C[C@@H](C)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000626066775 397066194 /nfs/dbraw/zinc/06/61/94/397066194.db2.gz QTJCUYBSVJBWIP-WXHSDQCUSA-N 0 0 306.366 0.399 10 30 DCEERN C=CCN1C(=O)C(=O)N(Cc2nc(C[C@@H]3CCCO3)no2)C1=O ZINC000349825449 397078627 /nfs/dbraw/zinc/07/86/27/397078627.db2.gz BRCNXDCFFNARKH-VIFPVBQESA-N 0 0 320.305 0.268 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000612522138 397078695 /nfs/dbraw/zinc/07/86/95/397078695.db2.gz HBVBOYKWIHIHSO-NWDGAFQWSA-N 0 0 302.396 0.151 10 30 DCEERN C=C[C@](C)(CC)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000619222331 397099910 /nfs/dbraw/zinc/09/99/10/397099910.db2.gz IXHYZIFMSCSQMP-GFQSEFKGSA-N 0 0 301.408 0.859 10 30 DCEERN 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520428452 /nfs/dbraw/zinc/42/84/52/520428452.db2.gz OVZJKLUJIZZJOF-UHFFFAOYSA-N 0 0 322.386 0.973 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCSCC1 ZINC000425874361 534586791 /nfs/dbraw/zinc/58/67/91/534586791.db2.gz CJIFFEIIHRGQKR-STQMWFEESA-N 0 0 312.435 0.953 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cccn1 ZINC000425864120 534586240 /nfs/dbraw/zinc/58/62/40/534586240.db2.gz BEISRAFHNXKNKW-AVGNSLFASA-N 0 0 306.366 0.095 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000424928743 534595219 /nfs/dbraw/zinc/59/52/19/534595219.db2.gz AEORVEDPKQGNMN-SDDRHHMPSA-N 0 0 318.439 0.658 10 30 DCEERN N#CCCN(CCC#N)C(=O)CN1CCO[C@@]2(CCOC2)C1 ZINC000185170583 534643777 /nfs/dbraw/zinc/64/37/77/534643777.db2.gz OKRQICFSYKHJIP-HNNXBMFYSA-N 0 0 306.366 0.134 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000410914712 526279207 /nfs/dbraw/zinc/27/92/07/526279207.db2.gz ZVMYAHBSXLJEGV-GFCCVEGCSA-N 0 0 324.299 0.173 10 30 DCEERN 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C=CCOC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C ZINC000156603402 657534058 /nfs/dbraw/zinc/53/40/58/657534058.db2.gz LGQOIHAHTKMYTR-UHFFFAOYSA-N 0 0 303.318 0.537 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1Cl ZINC000168142354 657785812 /nfs/dbraw/zinc/78/58/12/657785812.db2.gz TTWKZHFRWRJNCZ-SNVBAGLBSA-N 0 0 316.766 0.593 10 30 DCEERN Cn1cc(C2CCN(C(=O)NCc3cnnn3C)CC2)cn1 ZINC000329301597 659129734 /nfs/dbraw/zinc/12/97/34/659129734.db2.gz MZICRWBERDJZMO-UHFFFAOYSA-N 0 0 303.370 0.842 10 30 DCEERN C#CCNC(=O)COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000016330134 661739754 /nfs/dbraw/zinc/73/97/54/661739754.db2.gz PVCDEALBCDNCHO-GFCCVEGCSA-N 0 0 324.377 0.926 10 30 DCEERN Cn1nncc1CNC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000329705448 661832707 /nfs/dbraw/zinc/83/27/07/661832707.db2.gz KHBHVUMYSAVWOG-AWEZNQCLSA-N 0 0 322.413 0.272 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)O[C@@H](CC)C(N)=O)cc2C1=O ZINC000726988628 662077542 /nfs/dbraw/zinc/07/75/42/662077542.db2.gz SLUWVDNPVVHHSV-LBPRGKRZSA-N 0 0 316.313 0.889 10 30 DCEERN CCC(CC)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000152212786 662490314 /nfs/dbraw/zinc/49/03/14/662490314.db2.gz RXVKCCRUCZKIBM-GFCCVEGCSA-N 0 0 314.407 0.779 10 30 DCEERN C#Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)nc1 ZINC000728863781 662493904 /nfs/dbraw/zinc/49/39/04/662493904.db2.gz HGLFQUYESUELHX-UHFFFAOYSA-N 0 0 307.375 0.218 10 30 DCEERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732665225 664950595 /nfs/dbraw/zinc/95/05/95/664950595.db2.gz WMTANOHEVGVARE-DOMZBBRYSA-N 0 0 318.421 0.880 10 30 DCEERN C[C@H](Cn1cccn1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732674792 664951759 /nfs/dbraw/zinc/95/17/59/664951759.db2.gz SHEFHCXBTFGLGP-OCCSQVGLSA-N 0 0 302.382 0.653 10 30 DCEERN C[C@@H]1CN(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 ZINC000732702747 664953235 /nfs/dbraw/zinc/95/32/35/664953235.db2.gz ZHEUGLBDCHCZNR-HIFRSBDPSA-N 0 0 321.425 0.089 10 30 DCEERN C#CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000733248357 666358821 /nfs/dbraw/zinc/35/88/21/666358821.db2.gz YKHDSMVEQQMNQZ-JTQLQIEISA-N 0 0 305.290 0.932 10 30 DCEERN C#CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000733287758 666474404 /nfs/dbraw/zinc/47/44/04/666474404.db2.gz PNAAYQGQIVXYOF-UHFFFAOYSA-N 0 0 304.306 0.534 10 30 DCEERN C#CCCNC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000733355679 666503534 /nfs/dbraw/zinc/50/35/34/666503534.db2.gz BPZNRJKWQRFSGJ-UHFFFAOYSA-N 0 0 301.412 0.465 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000733672833 666795258 /nfs/dbraw/zinc/79/52/58/666795258.db2.gz CYZSMLIBLDTCQQ-UHFFFAOYSA-N 0 0 318.329 0.707 10 30 DCEERN C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000703687183 667129464 /nfs/dbraw/zinc/12/94/64/667129464.db2.gz HDRQEXOWPREPQJ-CHWSQXEVSA-N 0 0 300.424 0.578 10 30 DCEERN N#Cc1ccncc1N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886095344 667731544 /nfs/dbraw/zinc/73/15/44/667731544.db2.gz SLECUEUJDUFFOH-OAHLLOKOSA-N 0 0 302.334 0.319 10 30 DCEERN 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282902017 /nfs/dbraw/zinc/90/20/17/282902017.db2.gz JFXGYTWYCZXEEI-IPYPFGDCSA-N 0 0 324.450 0.890 10 30 DCEERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000155759473 237043854 /nfs/dbraw/zinc/04/38/54/237043854.db2.gz NFZIOLVJQVXWEK-ZYHUDNBSSA-N 0 0 314.345 0.609 10 30 DCEERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000170885893 237129266 /nfs/dbraw/zinc/12/92/66/237129266.db2.gz IPVGZHGIBUAKNV-QMMMGPOBSA-N 0 0 313.766 0.721 10 30 DCEERN N#CCC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000186633371 237316998 /nfs/dbraw/zinc/31/69/98/237316998.db2.gz UGPOZDCCKOJZDX-CQSZACIVSA-N 0 0 303.362 0.484 10 30 DCEERN C=CCNC(=O)CNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000272020875 209391077 /nfs/dbraw/zinc/39/10/77/209391077.db2.gz BEMVHHRHSGZWBT-UHFFFAOYSA-N 0 0 305.334 0.826 10 30 DCEERN N#CC1(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCC1 ZINC000266259594 238209563 /nfs/dbraw/zinc/20/95/63/238209563.db2.gz XRYDYWOVHFQXRA-SNVBAGLBSA-N 0 0 301.350 0.908 10 30 DCEERN C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)N1CCCCC1 ZINC000328943598 238578163 /nfs/dbraw/zinc/57/81/63/238578163.db2.gz IYNXCBQVKYWRBH-KBPBESRZSA-N 0 0 310.442 0.980 10 30 DCEERN N#C[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000363662426 239113672 /nfs/dbraw/zinc/11/36/72/239113672.db2.gz VMAIGAYNZOVWPB-NWDGAFQWSA-N 0 0 309.391 0.439 10 30 DCEERN N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCN1C1CC1 ZINC000370660212 239177898 /nfs/dbraw/zinc/17/78/98/239177898.db2.gz JUJKPWSXNADSTD-LBPRGKRZSA-N 0 0 317.324 0.358 10 30 DCEERN C[C@H](Sc1nncn1C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370974137 239178912 /nfs/dbraw/zinc/17/89/12/239178912.db2.gz RVCVPYUATXUXKF-JQWIXIFHSA-N 0 0 320.422 0.494 10 30 DCEERN C[C@H](Sc1nncn1C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370974136 239179560 /nfs/dbraw/zinc/17/95/60/239179560.db2.gz RVCVPYUATXUXKF-CMPLNLGQSA-N 0 0 320.422 0.494 10 30 DCEERN N#CCC1(O)CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000408160258 239262861 /nfs/dbraw/zinc/26/28/61/239262861.db2.gz 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/nfs/dbraw/zinc/03/22/91/396032291.db2.gz KHSOKHBJXCIRCP-CYBMUJFWSA-N 0 0 311.426 0.636 10 30 DCEERN CCN(CC#N)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000068345507 396053559 /nfs/dbraw/zinc/05/35/59/396053559.db2.gz FOEZYOQEXAMCRR-UHFFFAOYSA-N 0 0 302.377 0.624 10 30 DCEERN COC(=O)[C@@H]1[C@H](O)CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000249322556 396006309 /nfs/dbraw/zinc/00/63/09/396006309.db2.gz GJAMEWVJUIOTBD-KFWWJZLASA-N 0 0 304.346 0.590 10 30 DCEERN CC1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2F)C1=O ZINC000170932618 396102324 /nfs/dbraw/zinc/10/23/24/396102324.db2.gz VGLSTZDOFMUBFZ-UHFFFAOYSA-N 0 0 318.308 0.644 10 30 DCEERN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCOC2)cc1 ZINC000171682343 396122420 /nfs/dbraw/zinc/12/24/20/396122420.db2.gz GBQRJPLRFSCELQ-AWEZNQCLSA-N 0 0 322.386 0.768 10 30 DCEERN N#C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000171723831 396123272 /nfs/dbraw/zinc/12/32/72/396123272.db2.gz RMUQNLNIRXBWLF-LLVKDONJSA-N 0 0 304.350 0.659 10 30 DCEERN C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@@H]1N1CCOCC1 ZINC000173821125 396136425 /nfs/dbraw/zinc/13/64/25/396136425.db2.gz LGNRASDIKRGKMI-DOMZBBRYSA-N 0 0 300.362 0.746 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628457 396180202 /nfs/dbraw/zinc/18/02/02/396180202.db2.gz ZGZJUYPXHJINEG-LBPRGKRZSA-N 0 0 324.344 0.528 10 30 DCEERN C#CCN(CC#C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000075400187 396180235 /nfs/dbraw/zinc/18/02/35/396180235.db2.gz INNMZWDEFDEVCI-SFHVURJKSA-N 0 0 323.352 0.549 10 30 DCEERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)C#N)ncn1 ZINC000182693154 396252438 /nfs/dbraw/zinc/25/24/38/396252438.db2.gz XNYCGYVRFBUHQA-RYUDHWBXSA-N 0 0 317.397 0.946 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000183180706 396264935 /nfs/dbraw/zinc/26/49/35/396264935.db2.gz IKLMNJLXBJVTIQ-SNVBAGLBSA-N 0 0 306.366 0.766 10 30 DCEERN CC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1noc(C)n1 ZINC000080679174 396283997 /nfs/dbraw/zinc/28/39/97/396283997.db2.gz 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/nfs/dbraw/zinc/61/57/75/396615775.db2.gz REZKVPAZBFINKX-UHFFFAOYSA-N 0 0 306.414 0.108 10 30 DCEERN C=CCOCCCNC(=O)NCC1(C(=O)OC)CCOCC1 ZINC000595581996 396634945 /nfs/dbraw/zinc/63/49/45/396634945.db2.gz OTMUMFXBCJTCDJ-UHFFFAOYSA-N 0 0 314.382 0.848 10 30 DCEERN COC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 ZINC000586864901 396669775 /nfs/dbraw/zinc/66/97/75/396669775.db2.gz QAFADWOJSDCWMI-AWEZNQCLSA-N 0 0 319.336 0.855 10 30 DCEERN C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000586864140 396669796 /nfs/dbraw/zinc/66/97/96/396669796.db2.gz MDRGMTAJDPMVOX-MFKMUULPSA-N 0 0 319.336 0.997 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@](C)(C(F)F)C1 ZINC000595915828 396682126 /nfs/dbraw/zinc/68/21/26/396682126.db2.gz LHVMAZXVMSGCKB-TVQRCGJNSA-N 0 0 305.325 0.743 10 30 DCEERN N#Cc1ncn(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000610883887 396776981 /nfs/dbraw/zinc/77/69/81/396776981.db2.gz WRHFRDHNACSRQS-RYUDHWBXSA-N 0 0 321.406 0.663 10 30 DCEERN 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0.262 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCN(CC)C(=O)C1 ZINC000625596797 396942270 /nfs/dbraw/zinc/94/22/70/396942270.db2.gz UOYSUCVMSCTGHE-UHFFFAOYSA-N 0 0 309.410 0.786 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1(C#N)CCCC1 ZINC000600815769 396950705 /nfs/dbraw/zinc/95/07/05/396950705.db2.gz FOTJYNITGADQKX-UHFFFAOYSA-N 0 0 322.409 0.748 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000597362394 396953217 /nfs/dbraw/zinc/95/32/17/396953217.db2.gz XXVYXGBQTRYOCF-MNOVXSKESA-N 0 0 323.422 0.826 10 30 DCEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CNC(=O)C1 ZINC000611959431 396961256 /nfs/dbraw/zinc/96/12/56/396961256.db2.gz GJSABZSGWIUBKJ-JHJVBQTASA-N 0 0 307.394 0.490 10 30 DCEERN C=CCOCCCNC(=O)c1sccc1S(N)(=O)=O ZINC000618516116 396987732 /nfs/dbraw/zinc/98/77/32/396987732.db2.gz JVXZXOGOZPZONJ-UHFFFAOYSA-N 0 0 304.393 0.718 10 30 DCEERN N#Cc1ccc(CNC(=O)CN2CCCC[C@@H](O)C2=O)cc1F ZINC000591721764 396990858 /nfs/dbraw/zinc/99/08/58/396990858.db2.gz 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C=C[C@H](CO)NC(=O)c1ccc(C)c(C(=O)N[C@H](C=C)CO)c1 ZINC000620591159 397288401 /nfs/dbraw/zinc/28/84/01/397288401.db2.gz LIHBECGQWYLDKX-ZIAGYGMSSA-N 0 0 318.373 0.548 10 30 DCEERN C=CCn1c(COC)nnc1N1CCO[C@@](C)(C(=O)OCC)C1 ZINC000601864604 397257347 /nfs/dbraw/zinc/25/73/47/397257347.db2.gz QYCDMAXDLSOGIG-OAHLLOKOSA-N 0 0 324.381 0.769 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)C[C@H](C)C#N ZINC000599141626 397347393 /nfs/dbraw/zinc/34/73/93/397347393.db2.gz JCVACPXJJPSICK-SNVBAGLBSA-N 0 0 310.398 0.414 10 30 DCEERN C=CC(C)(C)CCNC(=O)NCCn1cc(C(=O)OC)nn1 ZINC000599057078 397328909 /nfs/dbraw/zinc/32/89/09/397328909.db2.gz XGCLVZGBWHHBLO-UHFFFAOYSA-N 0 0 309.370 0.966 10 30 DCEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000368708353 397427268 /nfs/dbraw/zinc/42/72/68/397427268.db2.gz WFCASECONCSJSL-AWEZNQCLSA-N 0 0 321.402 0.572 10 30 DCEERN C=CCN1CC[C@H](N(C)Cc2cnc(C(=O)OC)cn2)C1=O ZINC000599396991 397428808 /nfs/dbraw/zinc/42/88/08/397428808.db2.gz MMHBYYSGAROPCC-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/07/58/75/287075875.db2.gz CPMYIZXEJRZPKB-UONOGXRCSA-N 0 0 319.386 0.990 10 30 DCEERN Cc1cc(NC(=O)N2CC[C@@H](NC(N)=O)C2)nn1CCC#N ZINC000611481446 412395442 /nfs/dbraw/zinc/39/54/42/412395442.db2.gz ORPBETXHTZSWDU-SNVBAGLBSA-N 0 0 305.342 0.380 10 30 DCEERN C=CCCN(C)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000342745913 415279614 /nfs/dbraw/zinc/27/96/14/415279614.db2.gz YVFWWQZSFINERU-UHFFFAOYSA-N 0 0 300.322 0.635 10 30 DCEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105888442 415638004 /nfs/dbraw/zinc/63/80/04/415638004.db2.gz XLKMWCGKRAULCI-HNNXBMFYSA-N 0 0 304.394 0.785 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C2CCCC2)C1=O ZINC000287558479 415669688 /nfs/dbraw/zinc/66/96/88/415669688.db2.gz WTVGNTMLWYVYHN-JSGCOSHPSA-N 0 0 321.421 0.927 10 30 DCEERN C=CCN(CC=C)C(=O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000354448458 415798552 /nfs/dbraw/zinc/79/85/52/415798552.db2.gz HPCXGXHUPVRZTE-CYBMUJFWSA-N 0 0 300.424 0.554 10 30 DCEERN C#CCOc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000121319179 415799981 /nfs/dbraw/zinc/79/99/81/415799981.db2.gz WREHXQFSMPYXTF-CYBMUJFWSA-N 0 0 322.386 0.462 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCC)c1 ZINC000337073841 415903580 /nfs/dbraw/zinc/90/35/80/415903580.db2.gz PCSZNBJPJWFDKC-LBPRGKRZSA-N 0 0 312.391 0.652 10 30 DCEERN C#CCOCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000131823229 415929746 /nfs/dbraw/zinc/92/97/46/415929746.db2.gz KKCOOUYNUNRHQP-UHFFFAOYSA-N 0 0 302.378 0.944 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000337083821 415907610 /nfs/dbraw/zinc/90/76/10/415907610.db2.gz YJXOKGAGTRTQOJ-JTQLQIEISA-N 0 0 309.391 0.866 10 30 DCEERN C=CCN1CC[C@H](N2CCN(Cc3nccn3C)CC2)C1=O ZINC000337184593 415923214 /nfs/dbraw/zinc/92/32/14/415923214.db2.gz NWIAIYXRSPUHHQ-AWEZNQCLSA-N 0 0 303.410 0.325 10 30 DCEERN C#Cc1ccc(CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000297501474 415963703 /nfs/dbraw/zinc/96/37/03/415963703.db2.gz GIEIMJJAGBLPQO-INIZCTEOSA-N 0 0 315.373 0.714 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N1CCCN(CCC)C(=O)C1 ZINC000297646576 415966633 /nfs/dbraw/zinc/96/66/33/415966633.db2.gz BOTMZWZJVCXCOH-UHFFFAOYSA-N 0 0 309.410 0.882 10 30 DCEERN C=CCNc1ncc(C(=O)N2CCN(C3CC3)C(=O)C2)s1 ZINC000337615685 415985154 /nfs/dbraw/zinc/98/51/54/415985154.db2.gz AQVWKFBPCUNFRZ-UHFFFAOYSA-N 0 0 306.391 1.188 10 30 DCEERN C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@@H](C)O)c1 ZINC000154349196 415991927 /nfs/dbraw/zinc/99/19/27/415991927.db2.gz NBYMOTCCHGEHMI-LLVKDONJSA-N 0 0 312.391 0.652 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000337237774 415932777 /nfs/dbraw/zinc/93/27/77/415932777.db2.gz CRKWNXVTQWNZKL-ZDUSSCGKSA-N 0 0 305.334 0.637 10 30 DCEERN Cc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1C#N ZINC000174905824 416091289 /nfs/dbraw/zinc/09/12/89/416091289.db2.gz AOPKTUNAFQZQIK-LBPRGKRZSA-N 0 0 316.361 0.252 10 30 DCEERN Cc1cc(N(C)C)nc(NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000328656345 416126204 /nfs/dbraw/zinc/12/62/04/416126204.db2.gz 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/nfs/dbraw/zinc/19/41/74/416194174.db2.gz UZIUCJGWZMRIJS-HNNXBMFYSA-N 0 0 324.402 0.934 10 30 DCEERN COC[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC(C)(C)O1 ZINC000330550919 416214754 /nfs/dbraw/zinc/21/47/54/416214754.db2.gz CGHZFZKPQWQRRU-ZDUSSCGKSA-N 0 0 318.377 1.018 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000347236434 416215267 /nfs/dbraw/zinc/21/52/67/416215267.db2.gz SHIITVDLFCRJRS-UHFFFAOYSA-N 0 0 318.377 0.156 10 30 DCEERN N#Cc1c[nH]c(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000178430237 416162414 /nfs/dbraw/zinc/16/24/14/416162414.db2.gz DWVYEFJJBOOAKD-GFCCVEGCSA-N 0 0 322.390 0.526 10 30 DCEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000330919175 416248757 /nfs/dbraw/zinc/24/87/57/416248757.db2.gz YEDDEMAQBVNBNI-WZRBSPASSA-N 0 0 304.412 0.148 10 30 DCEERN Cc1oc(NC(=O)CN2CCCNC(=O)[C@H]2C)c(C#N)c1C ZINC000189340097 416265872 /nfs/dbraw/zinc/26/58/72/416265872.db2.gz JMYSKCOSZHRCSC-SNVBAGLBSA-N 0 0 304.350 0.917 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000342257942 416301721 /nfs/dbraw/zinc/30/17/21/416301721.db2.gz KXIQDLXXYHLECV-LLVKDONJSA-N 0 0 304.350 0.421 10 30 DCEERN C=CC[C@H]1N(C(=O)CNS(=O)(=O)NC)CCCC1(C)C ZINC000331337372 416306526 /nfs/dbraw/zinc/30/65/26/416306526.db2.gz QVSJHVAOFZJQIR-LLVKDONJSA-N 0 0 303.428 0.634 10 30 DCEERN C=CCCOCCNC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597072704 416591671 /nfs/dbraw/zinc/59/16/71/416591671.db2.gz NOWDJWUUDQNVBB-UHFFFAOYSA-N 0 0 324.381 1.505 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000597146422 416593279 /nfs/dbraw/zinc/59/32/79/416593279.db2.gz NRZGYSFQXKJDKT-NSHDSACASA-N 0 0 324.381 1.283 10 30 DCEERN Cn1nnc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000490660615 416571289 /nfs/dbraw/zinc/57/12/89/416571289.db2.gz WEQICVNYYFNFPA-ZDUSSCGKSA-N 0 0 308.342 0.088 10 30 DCEERN C[C@@H](C(=O)N1CC(=O)N(C)[C@@H]1c1ccccc1)n1cnc(C#N)n1 ZINC000545240294 416669681 /nfs/dbraw/zinc/66/96/81/416669681.db2.gz 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303.366 0.906 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635146746 417589982 /nfs/dbraw/zinc/58/99/82/417589982.db2.gz VIDYYBZMGLYHQD-UHFFFAOYSA-N 0 0 306.366 0.819 10 30 DCEERN C=CCOCCCNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000628087619 417570232 /nfs/dbraw/zinc/57/02/32/417570232.db2.gz AVGGSWGDQNENDA-GFCCVEGCSA-N 0 0 306.366 0.482 10 30 DCEERN CCN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523572929 267053900 /nfs/dbraw/zinc/05/39/00/267053900.db2.gz KBZRCMTYPPWSCK-UHFFFAOYSA-N 0 0 300.311 0.881 10 30 DCEERN CC[C@H](NC(=O)c1ccc(C#N)n1C)C(=O)N1CCOCC1 ZINC000450124393 267220112 /nfs/dbraw/zinc/22/01/12/267220112.db2.gz GFZQOWWDXVEBBM-LBPRGKRZSA-N 0 0 304.350 0.264 10 30 DCEERN CC(C)NC(=O)C(=O)N1CCN(c2ccncc2C#N)CC1 ZINC000548153766 288116894 /nfs/dbraw/zinc/11/68/94/288116894.db2.gz RWQBJHIDEIQAMA-UHFFFAOYSA-N 0 0 301.350 0.126 10 30 DCEERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(CCC#N)CC1CC1 ZINC000173115385 297157762 /nfs/dbraw/zinc/15/77/62/297157762.db2.gz 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CUWWLEKDEKJKGL-WBVHZDCISA-N 0 0 319.405 0.726 10 30 DCEERN C=CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H](C)COC ZINC000617576524 396758471 /nfs/dbraw/zinc/75/84/71/396758471.db2.gz VVBPGASJNOSFGE-NSHDSACASA-N 0 0 319.365 0.180 10 30 DCEERN C=CCCC(C)(C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000633964973 396759919 /nfs/dbraw/zinc/75/99/19/396759919.db2.gz USLIESQPIZMFMS-UHFFFAOYSA-N 0 0 302.440 0.825 10 30 DCEERN C=CCCOCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629439664 396760452 /nfs/dbraw/zinc/76/04/52/396760452.db2.gz KMRYRHOMTXDVKL-INIZCTEOSA-N 0 0 319.405 0.991 10 30 DCEERN COCC[C@@H](COC)NS(=O)(=O)c1ccc(C#N)s1 ZINC000311565709 396761676 /nfs/dbraw/zinc/76/16/76/396761676.db2.gz SWXIZSBXHGVWSY-VIFPVBQESA-N 0 0 304.393 0.950 10 30 DCEERN N#Cc1ccc(CNC(=O)N2CC[C@H](NC(N)=O)C2)c(F)c1 ZINC000611196726 396832376 /nfs/dbraw/zinc/83/23/76/396832376.db2.gz UUGIICFCQDDBTD-NSHDSACASA-N 0 0 305.313 0.650 10 30 DCEERN C=C(C)[C@@H](CO)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000611237407 396841539 /nfs/dbraw/zinc/84/15/39/396841539.db2.gz JSBJPVORKULKJE-CQSZACIVSA-N 0 0 312.410 0.657 10 30 DCEERN C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329493263 396845446 /nfs/dbraw/zinc/84/54/46/396845446.db2.gz UFLZZZLNXFPICD-GRYCIOLGSA-N 0 0 311.411 0.959 10 30 DCEERN C=CCCSCCNC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000596941614 396857815 /nfs/dbraw/zinc/85/78/15/396857815.db2.gz VBGZZLQVJIXXEV-UHFFFAOYSA-N 0 0 324.406 0.764 10 30 DCEERN N#CCN1CCC(NC(=O)N2CCSC[C@H]2CCO)CC1 ZINC000611395992 396862296 /nfs/dbraw/zinc/86/22/96/396862296.db2.gz ULUCKCSHBVUIQC-CYBMUJFWSA-N 0 0 312.439 0.484 10 30 DCEERN C=CCCOCC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000634511923 396873621 /nfs/dbraw/zinc/87/36/21/396873621.db2.gz JBXLFIBBAACGGA-UHFFFAOYSA-N 0 0 304.394 0.756 10 30 DCEERN C=CCOCCNS(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000611542017 396884531 /nfs/dbraw/zinc/88/45/31/396884531.db2.gz ARPLLCHMJSWNIV-LLVKDONJSA-N 0 0 306.384 0.051 10 30 DCEERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccn1 ZINC000618138287 396910112 /nfs/dbraw/zinc/91/01/12/396910112.db2.gz BUURIQURABVFCP-LLVKDONJSA-N 0 0 308.363 0.706 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000611690128 396911570 /nfs/dbraw/zinc/91/15/70/396911570.db2.gz GWFUODMZRBUMQL-LBPRGKRZSA-N 0 0 306.366 0.023 10 30 DCEERN C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 ZINC000625561175 396923880 /nfs/dbraw/zinc/92/38/80/396923880.db2.gz IKBLGHOPRSNARF-STQMWFEESA-N 0 0 312.410 0.967 10 30 DCEERN C=CCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000618517516 396987577 /nfs/dbraw/zinc/98/75/77/396987577.db2.gz LTOKNGNGCYZZHX-UHFFFAOYSA-N 0 0 318.439 0.757 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC000612004019 396978928 /nfs/dbraw/zinc/97/89/28/396978928.db2.gz QDCHTZALLMJJMO-BARDWOONSA-N 0 0 324.421 0.703 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ncn(CC(=O)OCC)n1 ZINC000597796500 397104636 /nfs/dbraw/zinc/10/46/36/397104636.db2.gz OXPSSNFECRMBFZ-NSHDSACASA-N 0 0 323.353 0.251 10 30 DCEERN C=CCOCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000612728641 397129135 /nfs/dbraw/zinc/12/91/35/397129135.db2.gz VEABVXUSJLVQGX-UHFFFAOYSA-N 0 0 309.322 0.367 10 30 DCEERN CC(=O)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000619491529 397138860 /nfs/dbraw/zinc/13/88/60/397138860.db2.gz TULSIIBTGYRBOR-LBPRGKRZSA-N 0 0 321.402 0.994 10 30 DCEERN N#CCc1cccc(S(=O)(=O)N2CCN(CCCO)CC2)c1 ZINC000619495114 397139101 /nfs/dbraw/zinc/13/91/01/397139101.db2.gz QZPDXSWYKQQMMQ-UHFFFAOYSA-N 0 0 323.418 0.441 10 30 DCEERN C=CCN([C@@H](C)COC)S(=O)(=O)CC1(C(=O)OC)CC1 ZINC000601466098 397139285 /nfs/dbraw/zinc/13/92/85/397139285.db2.gz ZBCLOZWHSIORMI-NSHDSACASA-N 0 0 305.396 0.792 10 30 DCEERN N#Cc1ccc(CNC(=O)NCC(=O)NCC(F)F)c(F)c1 ZINC000619528472 397145393 /nfs/dbraw/zinc/14/53/93/397145393.db2.gz JOUZYZKKUOTDNJ-UHFFFAOYSA-N 0 0 314.267 0.878 10 30 DCEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000630978982 397151572 /nfs/dbraw/zinc/15/15/72/397151572.db2.gz OOIJPLJWCOENPQ-GHMZBOCLSA-N 0 0 315.395 0.155 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)OC ZINC000601502568 397154412 /nfs/dbraw/zinc/15/44/12/397154412.db2.gz QHIIPFODXCFESP-SECBINFHSA-N 0 0 321.786 0.860 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)OC ZINC000601502597 397154760 /nfs/dbraw/zinc/15/47/60/397154760.db2.gz RBSNZOIBAUETGA-JTQLQIEISA-N 0 0 301.368 0.689 10 30 DCEERN C[C@@H](C(=O)NCCC(=O)Nc1ccccn1)n1cnc(C#N)n1 ZINC000619611939 397158217 /nfs/dbraw/zinc/15/82/17/397158217.db2.gz DKKSHAUWBSEZDQ-JTQLQIEISA-N 0 0 313.321 0.251 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000626448858 397164345 /nfs/dbraw/zinc/16/43/45/397164345.db2.gz NYMGSLPXVVKZBI-VIFPVBQESA-N 0 0 316.354 0.448 10 30 DCEERN C=CCOC[C@H](NC(=O)c1cncc(OC)c1C)C(=O)OC ZINC000601539949 397171768 /nfs/dbraw/zinc/17/17/68/397171768.db2.gz CFTGGLGVPXCQFB-LBPRGKRZSA-N 0 0 308.334 0.873 10 30 DCEERN C=CCOCCCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000598207623 397189482 /nfs/dbraw/zinc/18/94/82/397189482.db2.gz WKECDJZYFXQBGC-UHFFFAOYSA-N 0 0 301.346 0.997 10 30 DCEERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1=O ZINC000619797394 397193579 /nfs/dbraw/zinc/19/35/79/397193579.db2.gz AIVHBUBBIILJFY-LLVKDONJSA-N 0 0 311.338 0.596 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)OC ZINC000601784699 397244532 /nfs/dbraw/zinc/24/45/32/397244532.db2.gz GZSJVYDFZKFUSY-LBPRGKRZSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)OC ZINC000601784082 397244578 /nfs/dbraw/zinc/24/45/78/397244578.db2.gz GQJWXBUTMIFUCP-NSHDSACASA-N 0 0 306.366 0.859 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)OC ZINC000601788745 397245480 /nfs/dbraw/zinc/24/54/80/397245480.db2.gz XWYKABXWJWIAQB-GFCCVEGCSA-N 0 0 307.350 0.484 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1)C(=O)OC ZINC000601787421 397245729 /nfs/dbraw/zinc/24/57/29/397245729.db2.gz JTVRARBRDKDSMR-BJDJZHNGSA-N 0 0 313.350 0.577 10 30 DCEERN COC[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000382548323 397275372 /nfs/dbraw/zinc/27/53/72/397275372.db2.gz GRCYZQGBLTXHCF-GFCCVEGCSA-N 0 0 302.327 0.373 10 30 DCEERN C=CCNC(=O)NC(=O)[C@H](C)N(C)[C@H]1CCCCN(C)C1=O ZINC000601968883 397275688 /nfs/dbraw/zinc/27/56/88/397275688.db2.gz INPMXRJQEMCTGI-RYUDHWBXSA-N 0 0 310.398 0.329 10 30 DCEERN C=CCn1cc(C(=O)NC[C@]2(C(=O)OCC)CCCOC2)nn1 ZINC000601870536 397258523 /nfs/dbraw/zinc/25/85/23/397258523.db2.gz MFGJWALBAXQMQG-OAHLLOKOSA-N 0 0 322.365 0.554 10 30 DCEERN C=CCOCCNC(=O)N1CCO[C@](C)(C(=O)OCC)C1 ZINC000602292105 397364427 /nfs/dbraw/zinc/36/44/27/397364427.db2.gz MMIMLMIDJMMJIV-AWEZNQCLSA-N 0 0 300.355 0.553 10 30 DCEERN C=CCNC(=O)CN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621385376 397382947 /nfs/dbraw/zinc/38/29/47/397382947.db2.gz FZWASZVLOUKIGC-UHFFFAOYSA-N 0 0 320.368 0.349 10 30 DCEERN C=CCN(CCC#N)C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000602153196 397325350 /nfs/dbraw/zinc/32/53/50/397325350.db2.gz LMJBFXQWYKFZLR-QWHCGFSZSA-N 0 0 301.350 0.344 10 30 DCEERN C=CCC[C@@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)OCC ZINC000602161369 397329120 /nfs/dbraw/zinc/32/91/20/397329120.db2.gz UDXYKIGQZXNZKK-VXGBXAGGSA-N 0 0 317.407 0.968 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)NCC2CC(C)C2)CC1 ZINC000621574179 397399779 /nfs/dbraw/zinc/39/97/79/397399779.db2.gz IBEDAMCRUKUIIB-UHFFFAOYSA-N 0 0 308.426 0.662 10 30 DCEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCn2c(CO)nnc2C1 ZINC000426461288 397407663 /nfs/dbraw/zinc/40/76/63/397407663.db2.gz RRFIYYFUFIDMHC-LBPRGKRZSA-N 0 0 307.398 0.399 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC=C(c2cnn(C)c2)C1 ZINC000602888266 397513732 /nfs/dbraw/zinc/51/37/32/397513732.db2.gz QJSSDYMEYZLZTQ-GFCCVEGCSA-N 0 0 317.393 0.910 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000579445063 397566609 /nfs/dbraw/zinc/56/66/09/397566609.db2.gz SPKGCZMLCZLYJR-QLFBSQMISA-N 0 0 320.437 0.804 10 30 DCEERN C=CCN(CC=C)C(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000579592767 397582999 /nfs/dbraw/zinc/58/29/99/397582999.db2.gz 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Cn1c(=O)cc(C(=O)N[C@]2(CO)CCOC2)c2ccccc21 ZINC000329822600 336086290 /nfs/dbraw/zinc/08/62/90/336086290.db2.gz HKCSMAUIMFSCKZ-INIZCTEOSA-N 0 0 302.330 0.995 10 30 DCEERN COc1nccc(NC(=O)N2CCN(Cc3ccon3)CC2)n1 ZINC000330008800 336105452 /nfs/dbraw/zinc/10/54/52/336105452.db2.gz FSCMDISBBZJRAE-UHFFFAOYSA-N 0 0 318.337 0.837 10 30 DCEERN C#CCCN1CCN(c2nn3c(nc(CC)cc3=O)s2)CC1 ZINC000301111299 336290503 /nfs/dbraw/zinc/29/05/03/336290503.db2.gz ROECRJLNUCJVNG-UHFFFAOYSA-N 0 0 317.418 0.859 10 30 DCEERN C#CCNC(=O)CNc1ncccc1C(=O)N1CCCCC1 ZINC000302749117 336367687 /nfs/dbraw/zinc/36/76/87/336367687.db2.gz TWYYIKAWZGQHLV-UHFFFAOYSA-N 0 0 300.362 0.869 10 30 DCEERN CC#CCN(C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000458748544 336397824 /nfs/dbraw/zinc/39/78/24/336397824.db2.gz RWNZGCASHYKPAY-NEPJUHHUSA-N 0 0 301.412 0.369 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000354203899 336463270 /nfs/dbraw/zinc/46/32/70/336463270.db2.gz CVIVCBPRGPESJT-NSHDSACASA-N 0 0 303.322 0.029 10 30 DCEERN C=C(Cl)CNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374733256 336996016 /nfs/dbraw/zinc/99/60/16/336996016.db2.gz MYSXYAJEFGSIER-UHFFFAOYSA-N 0 0 321.830 0.948 10 30 DCEERN C=CCNC(=O)CNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000376856442 337042827 /nfs/dbraw/zinc/04/28/27/337042827.db2.gz IUJLZLZLUUVQMP-AWEZNQCLSA-N 0 0 319.361 0.777 10 30 DCEERN C=CC[C@H](CO)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000251874303 337585790 /nfs/dbraw/zinc/58/57/90/337585790.db2.gz PFYIPUBEIUKTIK-RBSFLKMASA-N 0 0 322.405 0.481 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000516276872 338009673 /nfs/dbraw/zinc/00/96/73/338009673.db2.gz OPWSNVFQHPDWMC-KBPBESRZSA-N 0 0 324.402 0.796 10 30 DCEERN C=CCn1cc(CNC(=O)N[C@H](C)CCC(=O)OCC)nn1 ZINC000425722347 338016468 /nfs/dbraw/zinc/01/64/68/338016468.db2.gz HHWLLSRHDHYOQY-LLVKDONJSA-N 0 0 309.370 0.995 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccnc1 ZINC000425867978 338017990 /nfs/dbraw/zinc/01/79/90/338017990.db2.gz 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Cc1noc([C@H]2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C2)n1 ZINC000408031174 534483504 /nfs/dbraw/zinc/48/35/04/534483504.db2.gz QWNZVNBQABZJKO-ONGXEEELSA-N 0 0 313.383 0.504 10 30 DCEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000156582774 521753132 /nfs/dbraw/zinc/75/31/32/521753132.db2.gz XASGTVSBWZGKOV-LLVKDONJSA-N 0 0 311.338 0.596 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1c(C)noc1C ZINC000425879947 534586750 /nfs/dbraw/zinc/58/67/50/534586750.db2.gz JHIQIOMJYONSPF-AAEUAGOBSA-N 0 0 307.350 0.615 10 30 DCEERN N#CCC1(O)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000189063564 534592693 /nfs/dbraw/zinc/59/26/93/534592693.db2.gz QZGMNWFKAUDYAX-UHFFFAOYSA-N 0 0 321.280 0.749 10 30 DCEERN N#CCCCS(=O)(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183176085 534627546 /nfs/dbraw/zinc/62/75/46/534627546.db2.gz UGCZBXUFFAZDFM-ZDUSSCGKSA-N 0 0 322.390 0.800 10 30 DCEERN N#CCCN(CCC#N)C(=O)CN1CCO[C@]2(CCOC2)C1 ZINC000185170600 534644334 /nfs/dbraw/zinc/64/43/34/534644334.db2.gz OKRQICFSYKHJIP-OAHLLOKOSA-N 0 0 306.366 0.134 10 30 DCEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000246470735 523654554 /nfs/dbraw/zinc/65/45/54/523654554.db2.gz OAMSDRNJZAXYAY-BXUZGUMPSA-N 0 0 322.386 0.891 10 30 DCEERN CS(=O)(=O)NCC[C@H]1CCCCN1c1cnc(C#N)cn1 ZINC000133483067 525199078 /nfs/dbraw/zinc/19/90/78/525199078.db2.gz OIMJIAXQIHWTCV-GFCCVEGCSA-N 0 0 309.395 0.646 10 30 DCEERN C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000410907527 526277229 /nfs/dbraw/zinc/27/72/29/526277229.db2.gz DAGPQDYDFJSTIP-LBPRGKRZSA-N 0 0 312.366 0.059 10 30 DCEERN C=CCN1CC[C@H](N2CCCN(C(=O)c3ccc[nH]3)CC2)C1=O ZINC000366847925 526506146 /nfs/dbraw/zinc/50/61/46/526506146.db2.gz UTSRFAHVFZMBOW-HNNXBMFYSA-N 0 0 316.405 0.950 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)CC[C@@H](C)SC)CC1 ZINC000358548660 526531264 /nfs/dbraw/zinc/53/12/64/526531264.db2.gz UZVKFWLRWZMHDF-CYBMUJFWSA-N 0 0 313.467 0.965 10 30 DCEERN C=CCNC(=O)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000181215455 526549613 /nfs/dbraw/zinc/54/96/13/526549613.db2.gz 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C=CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000185895796 527193098 /nfs/dbraw/zinc/19/30/98/527193098.db2.gz DEPTWDJRJHLXRX-GFCCVEGCSA-N 0 0 312.391 0.408 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000182951906 527197594 /nfs/dbraw/zinc/19/75/94/527197594.db2.gz LIYUFJGBFZICKV-GFCCVEGCSA-N 0 0 312.391 0.826 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)NC)cn1 ZINC000276829936 527202590 /nfs/dbraw/zinc/20/25/90/527202590.db2.gz PJUVRWZXZBFGLP-SECBINFHSA-N 0 0 314.367 0.048 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000185688625 527207831 /nfs/dbraw/zinc/20/78/31/527207831.db2.gz IWZSYBYFADFYQJ-CYBMUJFWSA-N 0 0 324.402 0.794 10 30 DCEERN C=CCCCNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC ZINC000360200343 527208302 /nfs/dbraw/zinc/20/83/02/527208302.db2.gz QRMUAMLEILHBLD-OLZOCXBDSA-N 0 0 314.382 0.006 10 30 DCEERN C=CCn1c(=O)[nH]nc1SCC(=O)N1CCOC[C@H]1C1CC1 ZINC000378335605 527332706 /nfs/dbraw/zinc/33/27/06/527332706.db2.gz PQKMIYDHIBLCKN-NSHDSACASA-N 0 0 324.406 0.899 10 30 DCEERN CC(C)C(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000407975967 527482463 /nfs/dbraw/zinc/48/24/63/527482463.db2.gz RQDRNHLQWOQFIX-GFCCVEGCSA-N 0 0 316.427 0.265 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000356166921 527548400 /nfs/dbraw/zinc/54/84/00/527548400.db2.gz NZBHXLCQVYPKIY-XJKSGUPXSA-N 0 0 306.362 0.999 10 30 DCEERN C=CCN(CC(F)(F)F)C(=O)C1=C(C)N(C)c2nnnn2C1 ZINC000280942954 527585878 /nfs/dbraw/zinc/58/58/78/527585878.db2.gz LOWZAXHFLMLQPG-UHFFFAOYSA-N 0 0 316.287 0.974 10 30 DCEERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC(C)(C)C#N ZINC000358622847 527732566 /nfs/dbraw/zinc/73/25/66/527732566.db2.gz ALXQDVAXMVYPLK-VHSXEESVSA-N 0 0 312.370 0.292 10 30 DCEERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369833918 527849636 /nfs/dbraw/zinc/84/96/36/527849636.db2.gz OZAROUMVBISWRM-OCCSQVGLSA-N 0 0 322.409 0.956 10 30 DCEERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)CCCC#N)CC2 ZINC000159381264 528336125 /nfs/dbraw/zinc/33/61/25/528336125.db2.gz UHHKNBFTGSZBIR-NSHDSACASA-N 0 0 311.411 0.939 10 30 DCEERN CCN(C[C@H](C)C#N)C(=O)CN1CCN(CCOC)[C@H](C)C1 ZINC000105833963 528692091 /nfs/dbraw/zinc/69/20/91/528692091.db2.gz VPKQOLRTWXXNFV-HUUCEWRRSA-N 0 0 310.442 0.647 10 30 DCEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C#N)C(C)C ZINC000362046008 528807445 /nfs/dbraw/zinc/80/74/45/528807445.db2.gz OTQLSORXWYQGLS-VXGBXAGGSA-N 0 0 301.412 0.855 10 30 DCEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CN1CCOCC1 ZINC000328927099 546041069 /nfs/dbraw/zinc/04/10/69/546041069.db2.gz WVVAGTFWBUSKOA-VXGBXAGGSA-N 0 0 315.439 0.975 10 30 DCEERN Cc1[nH]nc(C(=O)NCC(=O)NCCN2CCOCC2)c1C ZINC000329465613 546050377 /nfs/dbraw/zinc/05/03/77/546050377.db2.gz RLOUIXGPWRPPGW-UHFFFAOYSA-N 0 0 309.370 0.045 10 30 DCEERN Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(C3CC3)CC1)CC2 ZINC000329685074 546053923 /nfs/dbraw/zinc/05/39/23/546053923.db2.gz ZUDUWSQVKAHFGY-CYBMUJFWSA-N 0 0 318.425 0.843 10 30 DCEERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H]2CCC[C@H]2C#N)n1 ZINC000332975515 546067544 /nfs/dbraw/zinc/06/75/44/546067544.db2.gz PHEHUGKEMVEWNC-WHOHXGKFSA-N 0 0 305.338 0.888 10 30 DCEERN C[C@H]1NC(=O)CC[C@H]1NC(=O)C1CN(c2ccccc2C#N)C1 ZINC000888100953 661179353 /nfs/dbraw/zinc/17/93/53/661179353.db2.gz GUBLUEJGXAIOSQ-BXUZGUMPSA-N 0 0 312.373 0.778 10 30 DCEERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@H]1CCCN(O)C1=O ZINC000722701169 658426167 /nfs/dbraw/zinc/42/61/67/658426167.db2.gz VMCXETCMDIFUBO-UWVGGRQHSA-N 0 0 313.354 0.492 10 30 DCEERN CC(C)[C@@]1(C)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O ZINC000738046833 661664271 /nfs/dbraw/zinc/66/42/71/661664271.db2.gz XTZYESZHYROVFC-XJKSGUPXSA-N 0 0 319.409 0.583 10 30 DCEERN CC(=CS(C)(=O)=O)NNc1ccc(S(C)(=O)=O)cc1 ZINC000732528707 664943814 /nfs/dbraw/zinc/94/38/14/664943814.db2.gz VUFRBDYXTIJTPG-UHFFFAOYSA-N 0 0 304.393 0.923 10 30 DCEERN Cn1cc(/C=C/C(=O)OCC2(C#N)CCCC2)c(=O)n(C)c1=O ZINC000183856949 666126978 /nfs/dbraw/zinc/12/69/78/666126978.db2.gz YFBCQDMDTITBOY-AATRIKPKSA-N 0 0 317.345 0.724 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000184954925 666308794 /nfs/dbraw/zinc/30/87/94/666308794.db2.gz JEXYSMIQAVZIGY-RYUDHWBXSA-N 0 0 304.346 0.770 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000733672844 666795337 /nfs/dbraw/zinc/79/53/37/666795337.db2.gz DTLSIOFUNPZQBW-UHFFFAOYSA-N 0 0 307.737 0.778 10 30 DCEERN N#C[C@@H]1CN(C(=O)NCCOC[C@H]2CCCO2)CCN1C1CC1 ZINC000734534293 666888416 /nfs/dbraw/zinc/88/84/16/666888416.db2.gz NETINSATNMHZQL-HUUCEWRRSA-N 0 0 322.409 0.564 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O ZINC000064888832 667346678 /nfs/dbraw/zinc/34/66/78/667346678.db2.gz XCBYROMPYVYNCT-UHFFFAOYSA-N 0 0 315.373 0.468 10 30 DCEERN C#CCSCCNC(=O)N1CCC(OCCCO)CC1 ZINC000122298807 667599619 /nfs/dbraw/zinc/59/96/19/667599619.db2.gz DYABEDDRLZQWOX-UHFFFAOYSA-N 0 0 300.424 0.926 10 30 DCEERN C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(C)=O)c1 ZINC000135589096 667613034 /nfs/dbraw/zinc/61/30/34/667613034.db2.gz WHENDSBZXMJIGN-UHFFFAOYSA-N 0 0 322.386 0.649 10 30 DCEERN Cc1ccc(C#N)c(N2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886065561 667727754 /nfs/dbraw/zinc/72/77/54/667727754.db2.gz LVFIODVMFIMPCU-MRXNPFEDSA-N 0 0 312.377 0.964 10 30 DCEERN C#CCN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000742052711 667779486 /nfs/dbraw/zinc/77/94/86/667779486.db2.gz SJIARWGKARIVAE-DZGCQCFKSA-N 0 0 303.383 0.975 10 30 DCEERN C[C@H](C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000125749167 668411903 /nfs/dbraw/zinc/41/19/03/668411903.db2.gz OZPFGPREYWPAMP-RFAUZJTJSA-N 0 0 318.308 0.621 10 30 DCEERN C=CCn1nnn(CN2CCN(CC(F)F)CC2)c1=S ZINC000128779190 669291122 /nfs/dbraw/zinc/29/11/22/669291122.db2.gz JDITYDQFUCGJHX-UHFFFAOYSA-N 0 0 304.370 0.835 10 30 DCEERN C=CCN(CC(=O)OCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131200362 669659763 /nfs/dbraw/zinc/65/97/63/669659763.db2.gz RHDUTPUMOWQCHT-ZDUSSCGKSA-N 0 0 318.439 0.709 10 30 DCEERN C=C(Br)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188652231 670033324 /nfs/dbraw/zinc/03/33/24/670033324.db2.gz KPOWKUQYUOBLEE-UHFFFAOYSA-N 0 0 309.123 0.957 10 30 DCEERN C#C[C@H](CO)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000718192360 685304219 /nfs/dbraw/zinc/30/42/19/685304219.db2.gz CJBKVMJLAAAXRL-MRVPVSSYSA-N 0 0 309.265 0.858 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)c1 ZINC000718579996 685305050 /nfs/dbraw/zinc/30/50/50/685305050.db2.gz WGDLFOMEIVMILG-NWDGAFQWSA-N 0 0 300.311 0.125 10 30 DCEERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719976112 685311921 /nfs/dbraw/zinc/31/19/21/685311921.db2.gz QXGVWYKWGJEEOE-NTCNTBNZSA-N 0 0 304.368 0.743 10 30 DCEERN COCC(COC)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720085225 685312757 /nfs/dbraw/zinc/31/27/57/685312757.db2.gz NNSKBSHVJFJLGF-UHFFFAOYSA-N 0 0 302.327 0.637 10 30 DCEERN CC[C@@H](CC#N)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000183804568 529445923 /nfs/dbraw/zinc/44/59/23/529445923.db2.gz AAHHDPHAACJSSJ-JTQLQIEISA-N 0 0 300.318 0.498 10 30 DCEERN C=CCn1cc(CNC(=O)[C@@H]2CSCN2C(=O)CC)nn1 ZINC000424907636 334936651 /nfs/dbraw/zinc/93/66/51/334936651.db2.gz KOQWZSOYUBUINN-NSHDSACASA-N 0 0 309.395 0.392 10 30 DCEERN CS(=O)(=O)CCN1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000071846961 191030653 /nfs/dbraw/zinc/03/06/53/191030653.db2.gz HCXHNGZULMMHAH-UHFFFAOYSA-N 0 0 321.402 0.361 10 30 DCEERN C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NC(C)(C)C ZINC000174633729 198362976 /nfs/dbraw/zinc/36/29/76/198362976.db2.gz RPERHNOEOFOHIH-UHFFFAOYSA-N 0 0 300.384 0.461 10 30 DCEERN Cn1cc(/C(N)=N/O)c(=O)c2ccc(N3CCOCC3)cc21 ZINC000085346182 192492383 /nfs/dbraw/zinc/49/23/83/192492383.db2.gz KNGPTIDOSJLGNQ-UHFFFAOYSA-N 0 0 302.334 0.470 10 30 DCEERN CCCN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000080940801 192203328 /nfs/dbraw/zinc/20/33/28/192203328.db2.gz YXSPPNOFJWTGHN-GFCCVEGCSA-N 0 0 309.391 0.936 10 30 DCEERN C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H](C)O1 ZINC000086448125 236872451 /nfs/dbraw/zinc/87/24/51/236872451.db2.gz UKGVMPPANIDZLR-QWRGUYRKSA-N 0 0 305.338 0.371 10 30 DCEERN COCCN(CCO)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000161026376 237091552 /nfs/dbraw/zinc/09/15/52/237091552.db2.gz NNAMXWFDNLKVHX-UHFFFAOYSA-N 0 0 318.782 0.841 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)NCC1(O)CCOCC1 ZINC000174806548 237175942 /nfs/dbraw/zinc/17/59/42/237175942.db2.gz BDPDXOTZJFYTQI-LBPRGKRZSA-N 0 0 304.346 0.983 10 30 DCEERN C[C@]1(C(=O)N2CC(O)(CC#N)C2)Cc2ccccc2C(=O)O1 ZINC000186796991 237322107 /nfs/dbraw/zinc/32/21/07/237322107.db2.gz NYJPWIBOXOXZQY-OAHLLOKOSA-N 0 0 300.314 0.645 10 30 DCEERN N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000247804679 238162275 /nfs/dbraw/zinc/16/22/75/238162275.db2.gz SGPYCXCLWSCPCT-STQMWFEESA-N 0 0 316.365 0.379 10 30 DCEERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCN(C)[C@H](C#N)C2)cn1 ZINC000333412212 238690715 /nfs/dbraw/zinc/69/07/15/238690715.db2.gz PXESHUJEYDPQTL-MCIONIFRSA-N 0 0 318.381 0.099 10 30 DCEERN N#C[C@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CCN1C1CC1 ZINC000369233106 239165695 /nfs/dbraw/zinc/16/56/95/239165695.db2.gz RTHKJJKMBRECHF-AWEZNQCLSA-N 0 0 313.361 0.990 10 30 DCEERN N#C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCN1C1CC1 ZINC000370984645 239178978 /nfs/dbraw/zinc/17/89/78/239178978.db2.gz ILMPFFUYVCGCLV-CABCVRRESA-N 0 0 307.394 0.771 10 30 DCEERN Cc1cc(=O)n(C)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370457742 239175408 /nfs/dbraw/zinc/17/54/08/239175408.db2.gz QJHKKFCNBPFXHP-CYBMUJFWSA-N 0 0 315.377 0.898 10 30 DCEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000375538235 239220115 /nfs/dbraw/zinc/22/01/15/239220115.db2.gz YMDLGNDBKUGKIM-MGPQQGTHSA-N 0 0 300.362 0.905 10 30 DCEERN N#C[C@H]1CN(C(=O)NC[C@H]2COc3ccccc3O2)CCO1 ZINC000408095221 239261365 /nfs/dbraw/zinc/26/13/65/239261365.db2.gz MBKRBBJSPNQCHF-RYUDHWBXSA-N 0 0 303.318 0.760 10 30 DCEERN COC(=O)CN(CC#N)C(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457600906 241015998 /nfs/dbraw/zinc/01/59/98/241015998.db2.gz VLQDTVHJZHOZHU-UHFFFAOYSA-N 0 0 304.302 0.920 10 30 DCEERN CC[C@@H](O)CN1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000106392516 194205608 /nfs/dbraw/zinc/20/56/08/194205608.db2.gz RTVDTJPYHKYUET-OAHLLOKOSA-N 0 0 317.389 0.852 10 30 DCEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1OCCC(N)=O ZINC000273516191 210835850 /nfs/dbraw/zinc/83/58/50/210835850.db2.gz VFXPFQFILMELBH-NSHDSACASA-N 0 0 307.350 0.999 10 30 DCEERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(CCC#N)CCC#N ZINC000186393040 533127383 /nfs/dbraw/zinc/12/73/83/533127383.db2.gz PTOFEXKKJHBNJR-OAHLLOKOSA-N 0 0 306.366 0.670 10 30 DCEERN CC(C)n1nc(CNC(=O)CC#N)c2c1CN(C(N)=O)CC2 ZINC000096084252 257135333 /nfs/dbraw/zinc/13/53/33/257135333.db2.gz LRDUWQAUPGCERH-UHFFFAOYSA-N 0 0 304.354 0.431 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000029434587 395698209 /nfs/dbraw/zinc/69/82/09/395698209.db2.gz YBEOOTNUZBWXFH-UHFFFAOYSA-N 0 0 305.382 0.367 10 30 DCEERN CN(CCC#N)C(=O)CCN1CCS(=O)(=O)C(C)(C)C1 ZINC000092800800 395733120 /nfs/dbraw/zinc/73/31/20/395733120.db2.gz CVYMCTJCQRHMSG-UHFFFAOYSA-N 0 0 301.412 0.258 10 30 DCEERN N#CCC1(O)CN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000194807683 395808318 /nfs/dbraw/zinc/80/83/18/395808318.db2.gz BMMLWBQHRUEJBE-UHFFFAOYSA-N 0 0 310.360 0.340 10 30 DCEERN COC[C@H](C)S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000117905218 395855881 /nfs/dbraw/zinc/85/58/81/395855881.db2.gz MMGJXOIYIAOXDO-LBPRGKRZSA-N 0 0 324.406 0.440 10 30 DCEERN C#CCCCCNC(=O)C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000273217401 395907344 /nfs/dbraw/zinc/90/73/44/395907344.db2.gz COKVCJSSBKHARA-UHFFFAOYSA-N 0 0 320.349 0.455 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1 ZINC000273391572 395917885 /nfs/dbraw/zinc/91/78/85/395917885.db2.gz DLTRUSOBZIYURA-LLVKDONJSA-N 0 0 313.375 0.997 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000273423589 395920662 /nfs/dbraw/zinc/92/06/62/395920662.db2.gz NDYVKIQCWRQYAE-LBPRGKRZSA-N 0 0 317.345 0.563 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000273467989 395923337 /nfs/dbraw/zinc/92/33/37/395923337.db2.gz FEPQNPBOVUNXLX-BLLLJJGKSA-N 0 0 317.345 0.408 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)CC=C)CCC1 ZINC000273617783 395933988 /nfs/dbraw/zinc/93/39/88/395933988.db2.gz XZQXDNIEABXHKD-STQMWFEESA-N 0 0 310.394 0.263 10 30 DCEERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000165974104 396088540 /nfs/dbraw/zinc/08/85/40/396088540.db2.gz KILBTTZXKOMNTJ-NXEZZACHSA-N 0 0 308.363 0.228 10 30 DCEERN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000179758092 396229502 /nfs/dbraw/zinc/22/95/02/396229502.db2.gz UGYLEVSFPKUKHQ-UHFFFAOYSA-N 0 0 307.325 0.745 10 30 DCEERN CCCN(C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185624010 396332107 /nfs/dbraw/zinc/33/21/07/396332107.db2.gz XKCOAUSUPDMWNF-UHFFFAOYSA-N 0 0 312.333 0.946 10 30 DCEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000190450308 396406675 /nfs/dbraw/zinc/40/66/75/396406675.db2.gz RRDPWZDVSMPZCG-UHFFFAOYSA-N 0 0 300.318 0.154 10 30 DCEERN C=CCOCCn1cc(I)c(=O)[nH]c1=O ZINC000580096470 396488049 /nfs/dbraw/zinc/48/80/49/396488049.db2.gz GHPSXMAJSKGMSG-UHFFFAOYSA-N 0 0 322.102 0.756 10 30 DCEERN N#Cc1cncc(S(=O)(=O)NCCO[C@@H]2CC2(F)F)c1 ZINC000594840382 396525842 /nfs/dbraw/zinc/52/58/42/396525842.db2.gz OAXZJMDSNBSMRN-SNVBAGLBSA-N 0 0 303.290 0.656 10 30 DCEERN Cn1c(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c(=O)n(C)c1=O ZINC000292077347 396528853 /nfs/dbraw/zinc/52/88/53/396528853.db2.gz XPLQMFFFERADNO-RNCFNFMXSA-N 0 0 310.304 0.437 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000581247441 396537750 /nfs/dbraw/zinc/53/77/50/396537750.db2.gz RVZXKMLVILGRPF-SRVKXCTJSA-N 0 0 302.396 0.454 10 30 DCEERN C=CCOC[C@H](NC(=O)c1nc(C)ncc1Cl)C(=O)OC ZINC000581463736 396556027 /nfs/dbraw/zinc/55/60/27/396556027.db2.gz NMAACVWYRFNEJT-JTQLQIEISA-N 0 0 313.741 0.912 10 30 DCEERN CC1(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)COC1 ZINC000586860589 396669463 /nfs/dbraw/zinc/66/94/63/396669463.db2.gz KTNBMHOTMKVJJJ-UHFFFAOYSA-N 0 0 305.309 0.466 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000600107085 396739403 /nfs/dbraw/zinc/73/94/03/396739403.db2.gz KXPZIPDLPQHLGH-MRXNPFEDSA-N 0 0 322.409 0.558 10 30 DCEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCNC(=O)CC1 ZINC000624988777 396740770 /nfs/dbraw/zinc/74/07/70/396740770.db2.gz DXAOZVXQRROXKI-UHFFFAOYSA-N 0 0 301.354 0.571 10 30 DCEERN C=CCC1(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)CCCC1 ZINC000629527052 396776991 /nfs/dbraw/zinc/77/69/91/396776991.db2.gz IVKZQWAXZLRKQC-UHFFFAOYSA-N 0 0 315.439 0.730 10 30 DCEERN C=CCCS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000625376976 396852559 /nfs/dbraw/zinc/85/25/59/396852559.db2.gz PYIPYHKLUHWBMC-AWEZNQCLSA-N 0 0 318.439 0.098 10 30 DCEERN Cc1onc(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1C#N ZINC000611528663 396881822 /nfs/dbraw/zinc/88/18/22/396881822.db2.gz ZJDNUFIFDHBSQO-PLMOITTCSA-N 0 0 302.334 0.523 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2CC[C@@H](C(=O)OC)CN2C1=O ZINC000600704287 396923485 /nfs/dbraw/zinc/92/34/85/396923485.db2.gz MVMAKRMROYTSKR-RNJOBUHISA-N 0 0 322.361 0.793 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N1CCC(CCOC)CC1 ZINC000625699385 396982328 /nfs/dbraw/zinc/98/23/28/396982328.db2.gz PDCINSMQWCMRIZ-UHFFFAOYSA-N 0 0 312.410 0.970 10 30 DCEERN C=CCOCCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000618513988 396987304 /nfs/dbraw/zinc/98/73/04/396987304.db2.gz HMXYWMXQMVXXSW-UHFFFAOYSA-N 0 0 318.420 0.647 10 30 DCEERN C=CCOCCCNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000618516366 396987513 /nfs/dbraw/zinc/98/75/13/396987513.db2.gz ODAVAGBUCUUGFT-AWEZNQCLSA-N 0 0 324.352 0.625 10 30 DCEERN C=CCSCCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000601020049 396990645 /nfs/dbraw/zinc/99/06/45/396990645.db2.gz SSFVBEMGXHQHPX-UHFFFAOYSA-N 0 0 308.407 0.962 10 30 DCEERN C=C[C@H](O)C(=O)N[C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000597519605 396999943 /nfs/dbraw/zinc/99/99/43/396999943.db2.gz FIXBGTZXFPXTMI-AAEUAGOBSA-N 0 0 309.318 0.581 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC(F)F)C(=O)OC ZINC000597455700 396979024 /nfs/dbraw/zinc/97/90/24/396979024.db2.gz JXACMYHWNJRVNL-VHSXEESVSA-N 0 0 306.309 0.770 10 30 DCEERN C=CCOC[C@H](NS(=O)(=O)C1(C(C)C)CC1)C(=O)OC ZINC000601407696 397105122 /nfs/dbraw/zinc/10/51/22/397105122.db2.gz BICLGUHPWTZOCF-NSHDSACASA-N 0 0 305.396 0.839 10 30 DCEERN C=CC[C@H](CO)CNC(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000626361568 397145837 /nfs/dbraw/zinc/14/58/37/397145837.db2.gz KKESAQVMCWBCME-JTQLQIEISA-N 0 0 301.364 0.906 10 30 DCEERN C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000601486419 397146967 /nfs/dbraw/zinc/14/69/67/397146967.db2.gz DHSLRWJWOUQBIH-AAEUAGOBSA-N 0 0 305.396 0.935 10 30 DCEERN C=CCOCCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000626403777 397154481 /nfs/dbraw/zinc/15/44/81/397154481.db2.gz AMNQOEBXCMJKGU-UHFFFAOYSA-N 0 0 316.354 0.714 10 30 DCEERN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000619611873 397158153 /nfs/dbraw/zinc/15/81/53/397158153.db2.gz USTLBKCQARDUST-QWHCGFSZSA-N 0 0 315.381 0.403 10 30 DCEERN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)n1cnc(C#N)n1 ZINC000619613792 397159485 /nfs/dbraw/zinc/15/94/85/397159485.db2.gz WWXMTIYYUKABJO-HRDYMLBCSA-N 0 0 317.271 0.889 10 30 DCEERN C[C@@H](C(=O)N[C@H]1CN(c2ccccc2)C1=O)n1cnc(C#N)n1 ZINC000619615590 397160442 /nfs/dbraw/zinc/16/04/42/397160442.db2.gz WFXMWUFBRMVYHQ-JQWIXIFHSA-N 0 0 310.317 0.242 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)OC ZINC000601541136 397171810 /nfs/dbraw/zinc/17/18/10/397171810.db2.gz HYVUXMIBAMQXKE-DGCLKSJQSA-N 0 0 321.377 0.939 10 30 DCEERN C=C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OC ZINC000592445414 397180879 /nfs/dbraw/zinc/18/08/79/397180879.db2.gz NQTSJIHGICCEAQ-GHMZBOCLSA-N 0 0 311.359 0.539 10 30 DCEERN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O ZINC000619843099 397199052 /nfs/dbraw/zinc/19/90/52/397199052.db2.gz DHMJZUSXBOEDSG-LBPRGKRZSA-N 0 0 318.308 0.373 10 30 DCEERN CCN1CC[C@@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)C1=O ZINC000619856165 397199506 /nfs/dbraw/zinc/19/95/06/397199506.db2.gz YOUVMTVNMZICPW-ZIAGYGMSSA-N 0 0 301.346 0.983 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)nn1 ZINC000592622151 397226194 /nfs/dbraw/zinc/22/61/94/397226194.db2.gz HSGIWGZBSVAJJX-NEPJUHHUSA-N 0 0 322.365 0.647 10 30 DCEERN C=CCNC(=O)CNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000613292273 397238910 /nfs/dbraw/zinc/23/89/10/397238910.db2.gz CKDQQIMQZGUCRH-ZJUUUORDSA-N 0 0 324.299 0.389 10 30 DCEERN C=C(C)C[C@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)OC ZINC000601784430 397243850 /nfs/dbraw/zinc/24/38/50/397243850.db2.gz INUAQVVBPRLVCL-LBPRGKRZSA-N 0 0 315.333 0.900 10 30 DCEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)OC ZINC000601786564 397243867 /nfs/dbraw/zinc/24/38/67/397243867.db2.gz RNWCEQUKJDDUMH-GFCCVEGCSA-N 0 0 305.334 0.679 10 30 DCEERN C=CCCCCN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640082 397266023 /nfs/dbraw/zinc/26/60/23/397266023.db2.gz TWYRGWVDSOQCIA-RYUDHWBXSA-N 0 0 309.366 0.510 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)nn1 ZINC000592790962 397251661 /nfs/dbraw/zinc/25/16/61/397251661.db2.gz FZUFYFIQNFWPMJ-GMXVVIOVSA-N 0 0 304.350 0.878 10 30 DCEERN C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)nn1 ZINC000592790964 397251700 /nfs/dbraw/zinc/25/17/00/397251700.db2.gz FZUFYFIQNFWPMJ-LOWVWBTDSA-N 0 0 304.350 0.878 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000613414146 397257036 /nfs/dbraw/zinc/25/70/36/397257036.db2.gz RSOPFABOSGAGSG-NEPJUHHUSA-N 0 0 308.338 0.440 10 30 DCEERN C=C(C)C[C@H](C)C(=O)Nc1nc(C)n(C)c1C(=O)NCCO ZINC000613982301 397356686 /nfs/dbraw/zinc/35/66/86/397356686.db2.gz FIPHZDCJJFTCOI-JTQLQIEISA-N 0 0 308.382 0.991 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000614016649 397361527 /nfs/dbraw/zinc/36/15/27/397361527.db2.gz KKOKBJRQZWDWJS-WCQYABFASA-N 0 0 316.423 0.350 10 30 DCEERN C=CCOCCCNC(=O)N1CCO[C@](C)(C(=O)OCC)C1 ZINC000602339229 397377946 /nfs/dbraw/zinc/37/79/46/397377946.db2.gz CUSJFZUJFVSIBY-HNNXBMFYSA-N 0 0 314.382 0.943 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN[C@H]3C2)s1 ZINC000404126434 397327259 /nfs/dbraw/zinc/32/72/59/397327259.db2.gz QTRCNSDOGKTYQI-WDEREUQCSA-N 0 0 313.404 0.371 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC000614372526 397427951 /nfs/dbraw/zinc/42/79/51/397427951.db2.gz JZMBJLQRTTUBPW-OLZOCXBDSA-N 0 0 321.381 0.276 10 30 DCEERN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nc[nH]c3C2)C1=O ZINC000614394502 397431217 /nfs/dbraw/zinc/43/12/17/397431217.db2.gz RMCDQLYVZLGISL-BXUZGUMPSA-N 0 0 302.378 0.760 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599455201 397446031 /nfs/dbraw/zinc/44/60/31/397446031.db2.gz BHVXKPFUFLBKKC-VXGBXAGGSA-N 0 0 305.396 0.840 10 30 DCEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621558377 397397878 /nfs/dbraw/zinc/39/78/78/397397878.db2.gz DJIROTDPKXRHRE-JSGCOSHPSA-N 0 0 324.402 0.892 10 30 DCEERN C=CCOCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000593575466 397399077 /nfs/dbraw/zinc/39/90/77/397399077.db2.gz JBJSSAQFLMWOOA-UHFFFAOYSA-N 0 0 324.358 0.826 10 30 DCEERN C=CCC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604457 397407043 /nfs/dbraw/zinc/40/70/43/397407043.db2.gz LKVKQYYNAAZUSA-SECBINFHSA-N 0 0 301.324 0.595 10 30 DCEERN C=CCCn1cc(CN2CCC(O)(C(=O)OCC)CC2)nn1 ZINC000593960569 397487141 /nfs/dbraw/zinc/48/71/41/397487141.db2.gz GXPBLVLATHWKCQ-UHFFFAOYSA-N 0 0 308.382 0.744 10 30 DCEERN C=C[C@H](C(=O)OC)n1cc(CNCC(=O)OC(C)(C)C)nn1 ZINC000603231912 397586887 /nfs/dbraw/zinc/58/68/87/397586887.db2.gz BGMJMWDTPMTVPK-LLVKDONJSA-N 0 0 310.354 0.610 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000579112986 397524946 /nfs/dbraw/zinc/52/49/46/397524946.db2.gz QBXVECODUYAYHF-GJZGRUSLSA-N 0 0 313.357 0.995 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(C)(C)O2)CC1 ZINC000492875935 397525061 /nfs/dbraw/zinc/52/50/61/397525061.db2.gz UORIRRULAWIIAS-CYBMUJFWSA-N 0 0 309.410 0.390 10 30 DCEERN C=CCNC(=O)NC(=O)CN1C[C@](C)(CO)Oc2ccccc21 ZINC000602987544 397543683 /nfs/dbraw/zinc/54/36/83/397543683.db2.gz KEJHADOBRZOMJH-MRXNPFEDSA-N 0 0 319.361 0.648 10 30 DCEERN C=CCn1nnnc1S[C@@H](CCC(=O)OC)C(=O)OC ZINC000603313611 397596355 /nfs/dbraw/zinc/59/63/55/397596355.db2.gz KLTYRTYXJSOZRP-QMMMGPOBSA-N 0 0 300.340 0.446 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000610520011 397828858 /nfs/dbraw/zinc/82/88/58/397828858.db2.gz YXQGWHFIKUXUJP-CQSZACIVSA-N 0 0 321.402 0.641 10 30 DCEERN COC(=O)C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000093458408 158120895 /nfs/dbraw/zinc/12/08/95/158120895.db2.gz WMCWLGXTKYUKEK-CQSZACIVSA-N 0 0 314.345 0.970 10 30 DCEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000172568229 158395841 /nfs/dbraw/zinc/39/58/41/158395841.db2.gz GYYSXIYFMZEKNF-RYUDHWBXSA-N 0 0 322.386 0.971 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1C#N ZINC000408360945 160092399 /nfs/dbraw/zinc/09/23/99/160092399.db2.gz AXZBCHMEERKWBK-UHFFFAOYSA-N 0 0 320.374 0.257 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1C#N ZINC000408361070 160092488 /nfs/dbraw/zinc/09/24/88/160092488.db2.gz CDNJAZXUJZYDJN-NWDGAFQWSA-N 0 0 308.407 0.975 10 30 DCEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000408431776 160106635 /nfs/dbraw/zinc/10/66/35/160106635.db2.gz BRSNYLDJEGIPBR-SECBINFHSA-N 0 0 316.766 0.593 10 30 DCEERN CCNC(=O)N1CC[C@H](NC(=O)Nc2nn(C)cc2C#N)C1 ZINC000610767377 412413392 /nfs/dbraw/zinc/41/33/92/412413392.db2.gz HBEIYVKMSQFYTR-JTQLQIEISA-N 0 0 305.342 0.217 10 30 DCEERN Cc1ccc(C(=O)NCC(=O)N2CCOC[C@H]2C#N)cc1C ZINC000081739659 415487493 /nfs/dbraw/zinc/48/74/93/415487493.db2.gz LCRNMQQCZAOPDO-CQSZACIVSA-N 0 0 301.346 0.784 10 30 DCEERN N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000343463915 415606178 /nfs/dbraw/zinc/60/61/78/415606178.db2.gz HOKIAPUBDNEUTF-QWRGUYRKSA-N 0 0 302.302 0.791 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000290082096 415760304 /nfs/dbraw/zinc/76/03/04/415760304.db2.gz VBZLPUZCYBGYSL-IINYFYTJSA-N 0 0 312.391 0.838 10 30 DCEERN C=C[C@@](C)(O)CC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000290862693 415824836 /nfs/dbraw/zinc/82/48/36/415824836.db2.gz AKDUMAIVWFJNGX-OAHLLOKOSA-N 0 0 305.334 0.848 10 30 DCEERN N#CCNC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000126431524 415872896 /nfs/dbraw/zinc/87/28/96/415872896.db2.gz OWPXXTDNRICICI-LLVKDONJSA-N 0 0 318.358 0.240 10 30 DCEERN C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000294556654 415873968 /nfs/dbraw/zinc/87/39/68/415873968.db2.gz JBSLSNVYRKQTGS-HIFRSBDPSA-N 0 0 302.374 0.840 10 30 DCEERN C=CCN1CC[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000337204474 415927564 /nfs/dbraw/zinc/92/75/64/415927564.db2.gz IWNGVCDPBGHPGJ-OAHLLOKOSA-N 0 0 311.389 0.862 10 30 DCEERN C=CCCOCCNC(=O)C(=O)N[C@@H](C)c1ccncc1OC ZINC000355470149 415862651 /nfs/dbraw/zinc/86/26/51/415862651.db2.gz GCFJXBQSGWTVKP-LBPRGKRZSA-N 0 0 321.377 0.976 10 30 DCEERN C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]2COC)c1 ZINC000293806021 415864685 /nfs/dbraw/zinc/86/46/85/415864685.db2.gz UKGLTDCXLWGWRP-ZDUSSCGKSA-N 0 0 302.330 0.884 10 30 DCEERN C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000297729706 415971999 /nfs/dbraw/zinc/97/19/99/415971999.db2.gz OEUHGPWMTDZPOJ-CQSZACIVSA-N 0 0 315.373 0.895 10 30 DCEERN C[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1CCN(C)CC1 ZINC000174158378 416074070 /nfs/dbraw/zinc/07/40/70/416074070.db2.gz ZWHKWTTXMPUGMP-CQSZACIVSA-N 0 0 316.405 0.689 10 30 DCEERN C=CCn1c(-c2ccoc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC000337871251 416017472 /nfs/dbraw/zinc/01/74/72/416017472.db2.gz VDJDEBAUENKEQA-LBPRGKRZSA-N 0 0 314.349 0.938 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC000337910998 416022474 /nfs/dbraw/zinc/02/24/74/416022474.db2.gz PWWVHQWRGULBSM-NEPJUHHUSA-N 0 0 323.397 0.370 10 30 DCEERN N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)nc1 ZINC000328607914 416123345 /nfs/dbraw/zinc/12/33/45/416123345.db2.gz XKDGRPKZDLNKJH-QWRGUYRKSA-N 0 0 305.313 0.631 10 30 DCEERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328707924 416128300 /nfs/dbraw/zinc/12/83/00/416128300.db2.gz 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ZINC000341363523 416205775 /nfs/dbraw/zinc/20/57/75/416205775.db2.gz GWYXQGFHZHLFCD-CQSZACIVSA-N 0 0 308.426 0.971 10 30 DCEERN C=CCn1c(SC[C@@H]2CCN(S(C)(=O)=O)C2)n[nH]c1=O ZINC000330726032 416234983 /nfs/dbraw/zinc/23/49/83/416234983.db2.gz KHPGYRKDUKJJFH-SECBINFHSA-N 0 0 318.424 0.543 10 30 DCEERN CN(C(=O)CN1CCCN(C)C(=O)C1)C1(C#N)CCCCC1 ZINC000191157645 416285154 /nfs/dbraw/zinc/28/51/54/416285154.db2.gz CWNJGRCEBAIKEN-UHFFFAOYSA-N 0 0 306.410 0.835 10 30 DCEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000331223131 416288892 /nfs/dbraw/zinc/28/88/92/416288892.db2.gz LGMFAUIPSCXLSO-LLVKDONJSA-N 0 0 305.382 1.015 10 30 DCEERN C=CC[C@@H](CO)CNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000342210351 416294122 /nfs/dbraw/zinc/29/41/22/416294122.db2.gz NIVSPUPJFQATDU-SECBINFHSA-N 0 0 318.420 0.618 10 30 DCEERN COC(=O)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360300930 416384986 /nfs/dbraw/zinc/38/49/86/416384986.db2.gz YQFVKVQSKJVNLR-UONOGXRCSA-N 0 0 301.346 0.970 10 30 DCEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422584113 416440545 /nfs/dbraw/zinc/44/05/45/416440545.db2.gz DNMPHDBLCLKQOD-LLVKDONJSA-N 0 0 303.353 0.867 10 30 DCEERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000536589870 416545790 /nfs/dbraw/zinc/54/57/90/416545790.db2.gz YHJMGFSSTGKXQP-CQSZACIVSA-N 0 0 321.402 0.641 10 30 DCEERN C=CCNC(=O)c1ccc(NCCc2nnc3n2CCC3)nc1 ZINC000436199428 416549482 /nfs/dbraw/zinc/54/94/82/416549482.db2.gz TVPRPWJKTUHRGP-UHFFFAOYSA-N 0 0 312.377 1.190 10 30 DCEERN C=C[C@@H]1CCCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000488845061 416563964 /nfs/dbraw/zinc/56/39/64/416563964.db2.gz PWYTUSLXQBJNGY-LLVKDONJSA-N 0 0 301.350 0.697 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)nn1 ZINC000598840474 416606839 /nfs/dbraw/zinc/60/68/39/416606839.db2.gz FAZIDKCHYVXMRT-NSHDSACASA-N 0 0 306.322 0.673 10 30 DCEERN COC(=O)c1cccc(CN2CCN3CCOC[C@@H]3C2)c1C#N ZINC000541702190 416610358 /nfs/dbraw/zinc/61/03/58/416610358.db2.gz MZHGKMUUBWDNGK-AWEZNQCLSA-N 0 0 315.373 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/nfs/dbraw/zinc/69/24/44/416692444.db2.gz ZBVISHHRQGJXJL-HOCLYGCPSA-N 0 0 310.394 0.865 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nnc(CC)n2CC)CC1 ZINC000555016403 416710468 /nfs/dbraw/zinc/71/04/68/416710468.db2.gz MXENIFKFQWPKBS-UHFFFAOYSA-N 0 0 306.414 0.285 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)c1cccnc1 ZINC000614880392 416720464 /nfs/dbraw/zinc/72/04/64/416720464.db2.gz NYNBEBROVWMEBE-HUUCEWRRSA-N 0 0 305.378 0.745 10 30 DCEERN N#CC1CCC(CNC(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC000442973789 416723039 /nfs/dbraw/zinc/72/30/39/416723039.db2.gz PMMVRDJUZHRPLH-UHFFFAOYSA-N 0 0 322.390 0.789 10 30 DCEERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C#N)CO)cc1 ZINC000616048619 416958681 /nfs/dbraw/zinc/95/86/81/416958681.db2.gz NUIAGSILWWIITR-GXTWGEPZSA-N 0 0 304.346 0.976 10 30 DCEERN C=CCn1cc(CNC(=O)Nc2cnc(N(C)C)nc2)nn1 ZINC000564886057 416897892 /nfs/dbraw/zinc/89/78/92/416897892.db2.gz AOEDJCOXQHABQB-UHFFFAOYSA-N 0 0 302.342 0.642 10 30 DCEERN C=CCNC(=O)CNC(=O)NCc1c(C(F)(F)F)cnn1C ZINC000623862548 416907879 /nfs/dbraw/zinc/90/78/79/416907879.db2.gz XCTQCWCUGCQVGD-UHFFFAOYSA-N 0 0 319.287 0.540 10 30 DCEERN C=CCOCCNC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000623871078 416912521 /nfs/dbraw/zinc/91/25/21/416912521.db2.gz SZIPZMZCUVVUQN-LBPRGKRZSA-N 0 0 319.427 0.160 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000623986979 416935892 /nfs/dbraw/zinc/93/58/92/416935892.db2.gz MSFHPMARGOSKNN-OBJOEFQTSA-N 0 0 311.382 0.253 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000521616892 417020649 /nfs/dbraw/zinc/02/06/49/417020649.db2.gz QRWYTWBAHZHWAH-STQMWFEESA-N 0 0 324.425 0.169 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000616191038 416986024 /nfs/dbraw/zinc/98/60/24/416986024.db2.gz NKFVUSMQUBIZJT-MELADBBJSA-N 0 0 307.394 0.727 10 30 DCEERN C[C@H](C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)n1cnc(C#N)n1 ZINC000524094274 417097448 /nfs/dbraw/zinc/09/74/48/417097448.db2.gz RYNDHIRZVQTQPT-JMSVASOKSA-N 0 0 319.365 0.507 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000567177320 417060418 /nfs/dbraw/zinc/06/04/18/417060418.db2.gz DGTRQOMPMWLPLY-VIFPVBQESA-N 0 0 318.782 0.654 10 30 DCEERN C=CCCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000448321432 417069250 /nfs/dbraw/zinc/06/92/50/417069250.db2.gz NMYDJRIEUAYHQP-UHFFFAOYSA-N 0 0 300.322 0.683 10 30 DCEERN C=CCCCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000448378257 417072282 /nfs/dbraw/zinc/07/22/82/417072282.db2.gz VCPJPXWIKCROKE-UHFFFAOYSA-N 0 0 315.333 0.683 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2c(nnn2C)C1 ZINC000616703594 417095945 /nfs/dbraw/zinc/09/59/45/417095945.db2.gz XUWCIMWMKARWMK-AAEUAGOBSA-N 0 0 305.382 0.260 10 30 DCEERN C=CCn1c(COCC)nnc1N1CCO[C@H](CC(N)=O)C1 ZINC000624822572 417120310 /nfs/dbraw/zinc/12/03/10/417120310.db2.gz JYMKSPLLFWLWPO-LLVKDONJSA-N 0 0 309.370 0.081 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624828342 417122917 /nfs/dbraw/zinc/12/29/17/417122917.db2.gz AZWXNQNQMIGCRS-LBPRGKRZSA-N 0 0 306.366 0.921 10 30 DCEERN C=CCC1(NS(=O)(=O)[C@H]2CC(=O)N(CC)C2)CCOCC1 ZINC000632555786 417161092 /nfs/dbraw/zinc/16/10/92/417161092.db2.gz RRQHURIQHMXEEA-LBPRGKRZSA-N 0 0 316.423 0.652 10 30 DCEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000617040481 417159774 /nfs/dbraw/zinc/15/97/74/417159774.db2.gz UYKRKIBHVDZEKT-WDEREUQCSA-N 0 0 307.350 0.658 10 30 DCEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000617038334 417160002 /nfs/dbraw/zinc/16/00/02/417160002.db2.gz WFXRKZJHGRQYBE-OLZOCXBDSA-N 0 0 305.378 0.798 10 30 DCEERN C=CCn1c(C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000568962392 417196108 /nfs/dbraw/zinc/19/61/08/417196108.db2.gz PUXKYHQIRCJRRN-LLVKDONJSA-N 0 0 316.369 0.304 10 30 DCEERN CNC(=O)NC(=O)CCN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000408452439 417164035 /nfs/dbraw/zinc/16/40/35/417164035.db2.gz PMHYVGJHIIMUIA-DOMZBBRYSA-N 0 0 308.382 0.759 10 30 DCEERN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CS3)CC1 ZINC000408462719 417164108 /nfs/dbraw/zinc/16/41/08/417164108.db2.gz ALTDIIWWHDLCSA-SOUVJXGZSA-N 0 0 322.478 0.868 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529023846 417410323 /nfs/dbraw/zinc/41/03/23/417410323.db2.gz BGVGETNRKWYXBV-HNNXBMFYSA-N 0 0 318.373 0.826 10 30 DCEERN C=CCn1cc(CNC(=O)Cc2cnn3c2CCCC3)nn1 ZINC000633485645 417442967 /nfs/dbraw/zinc/44/29/67/417442967.db2.gz IINVRCCNJNPFNE-UHFFFAOYSA-N 0 0 300.366 0.856 10 30 DCEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000455407058 417603891 /nfs/dbraw/zinc/60/38/91/417603891.db2.gz LVEOEXAZEHMYGB-XQQFMLRXSA-N 0 0 324.377 0.551 10 30 DCEERN C=CC(C)(C)CCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000628315501 417605822 /nfs/dbraw/zinc/60/58/22/417605822.db2.gz NKXMHLCNXGZWCO-UHFFFAOYSA-N 0 0 314.411 0.417 10 30 DCEERN C=CCN(C(=O)c1cn(C[C@@H]2CCOC2)nn1)[C@H](C)COC ZINC000628054891 417565019 /nfs/dbraw/zinc/56/50/19/417565019.db2.gz JHEMOQHCAHZYPV-OLZOCXBDSA-N 0 0 308.382 0.978 10 30 DCEERN N#Cc1ccc(S(=O)(=O)NCc2cc(C(N)=O)co2)cn1 ZINC000188251004 261125817 /nfs/dbraw/zinc/12/58/17/261125817.db2.gz SERRWCNCSDIZJO-UHFFFAOYSA-N 0 0 306.303 0.124 10 30 DCEERN CC(=O)N(C)CC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000354906486 261285364 /nfs/dbraw/zinc/28/53/64/261285364.db2.gz VENYLVIDFXUILW-UHFFFAOYSA-N 0 0 301.350 0.080 10 30 DCEERN CC(C)(C)NS(=O)(=O)CCNC(=O)Cc1cccc(C#N)c1 ZINC000531386800 266851190 /nfs/dbraw/zinc/85/11/90/266851190.db2.gz HKLDEVKAABNJLZ-UHFFFAOYSA-N 0 0 323.418 0.935 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H](C#N)C2)c1 ZINC000147432057 268275159 /nfs/dbraw/zinc/27/51/59/268275159.db2.gz JNZGWGPDSVJYKP-ZDUSSCGKSA-N 0 0 305.359 0.556 10 30 DCEERN CN1C[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)CCC1=O ZINC000136293281 276985536 /nfs/dbraw/zinc/98/55/36/276985536.db2.gz XVEYITNUURBOHN-GFCCVEGCSA-N 0 0 300.314 0.504 10 30 DCEERN CNC(=O)c1cnc2n1CCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000096068869 277019298 /nfs/dbraw/zinc/01/92/98/277019298.db2.gz MHTWAWCRXYYIGS-UHFFFAOYSA-N 0 0 309.329 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C=CCN(CC=C)C(=O)[C@@H](C)N1CCn2nnc(CO)c2C1 ZINC000571766447 337575546 /nfs/dbraw/zinc/57/55/46/337575546.db2.gz VTKRZJZHHGJHCQ-GFCCVEGCSA-N 0 0 305.382 0.175 10 30 DCEERN C=CCC1(C(=O)N(C)CC(=O)NCCCOC)CCOCC1 ZINC000424627036 337926948 /nfs/dbraw/zinc/92/69/48/337926948.db2.gz UZFMKJQPPSMEOI-UHFFFAOYSA-N 0 0 312.410 0.970 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccnc(OC)c1 ZINC000425865566 338017981 /nfs/dbraw/zinc/01/79/81/338017981.db2.gz PAJIURFMBHCMTR-STQMWFEESA-N 0 0 319.361 0.414 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000425910417 338018828 /nfs/dbraw/zinc/01/88/28/338018828.db2.gz VSGYIXQMGVVTSS-IHRRRGAJSA-N 0 0 310.394 0.721 10 30 DCEERN C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)OC ZINC000435941904 338253818 /nfs/dbraw/zinc/25/38/18/338253818.db2.gz LQDXIFPAJHSODU-GFCCVEGCSA-N 0 0 323.305 0.772 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2c(Cl)cnn2C)CC1 ZINC000437592994 338315449 /nfs/dbraw/zinc/31/54/49/338315449.db2.gz SLSJGWFBKNUTGL-UHFFFAOYSA-N 0 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C=CC[C@@H](CO)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000185862001 527087207 /nfs/dbraw/zinc/08/72/07/527087207.db2.gz DEILINSIDGLZBQ-NSHDSACASA-N 0 0 317.345 0.133 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CCn1cnc2sccc2c1=O ZINC000185933012 527087553 /nfs/dbraw/zinc/08/75/53/527087553.db2.gz DAEWDGXRXBDGOJ-JTQLQIEISA-N 0 0 307.375 0.901 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000282447269 527102311 /nfs/dbraw/zinc/10/23/11/527102311.db2.gz CFGYNGVPPOVELH-JTQLQIEISA-N 0 0 318.782 0.654 10 30 DCEERN C#CCSCCNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000154811628 527141021 /nfs/dbraw/zinc/14/10/21/527141021.db2.gz NYFHXXGQEGOUMG-CQSZACIVSA-N 0 0 322.434 0.968 10 30 DCEERN C=CCCCN(C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000360501952 527194274 /nfs/dbraw/zinc/19/42/74/527194274.db2.gz AOCZASGOMPGXJR-UHFFFAOYSA-N 0 0 301.368 0.643 10 30 DCEERN C=CC[C@H](CO)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000185884870 527195224 /nfs/dbraw/zinc/19/52/24/527195224.db2.gz BYVXAOFBVKINRH-CQSZACIVSA-N 0 0 313.357 0.964 10 30 DCEERN C=CCCOCCNC(=O)N1CCc2nn(CC)c(=O)cc2C1 ZINC000371198200 527353046 /nfs/dbraw/zinc/35/30/46/527353046.db2.gz LPBFCRNGERFCEW-UHFFFAOYSA-N 0 0 320.393 0.924 10 30 DCEERN C=CCCS(=O)(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000186172860 527408823 /nfs/dbraw/zinc/40/88/23/527408823.db2.gz RAYWEKMGGSVQJO-UHFFFAOYSA-N 0 0 312.395 0.513 10 30 DCEERN C#Cc1cccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116999366 527456654 /nfs/dbraw/zinc/45/66/54/527456654.db2.gz ZGSLSJKMYAJPLM-CYBMUJFWSA-N 0 0 307.375 0.823 10 30 DCEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000359448819 527540253 /nfs/dbraw/zinc/54/02/53/527540253.db2.gz ZBBAQNIPJSBUQK-WCQYABFASA-N 0 0 304.412 0.196 10 30 DCEERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408341221 527847269 /nfs/dbraw/zinc/84/72/69/527847269.db2.gz QMLUFSVROGBIBJ-TUAOUCFPSA-N 0 0 315.395 0.541 10 30 DCEERN CCC(=O)N1CC[C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000366481493 528336132 /nfs/dbraw/zinc/33/61/32/528336132.db2.gz JDNSBKYLBKGSNB-TZMCWYRMSA-N 0 0 304.394 0.444 10 30 DCEERN Cc1noc([C@H](C)NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000328890161 546040838 /nfs/dbraw/zinc/04/08/38/546040838.db2.gz RKICNQPQJPRVFT-DLOVCJGASA-N 0 0 309.370 0.758 10 30 DCEERN C#CCOCCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000158526732 658485486 /nfs/dbraw/zinc/48/54/86/658485486.db2.gz SQJWCDWJQHTDBA-ZIAGYGMSSA-N 0 0 307.346 0.970 10 30 DCEERN C#CCCS(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000288278111 658522902 /nfs/dbraw/zinc/52/29/02/658522902.db2.gz ILXGHTVJXMVOLH-STQMWFEESA-N 0 0 313.375 0.757 10 30 DCEERN C#CC1(O)CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000218503653 658529041 /nfs/dbraw/zinc/52/90/41/658529041.db2.gz FWOFVGDBOHHLPH-UHFFFAOYSA-N 0 0 311.345 0.192 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2N)CC1 ZINC000320987449 662582442 /nfs/dbraw/zinc/58/24/42/662582442.db2.gz ZWHKEWXAGOXSIC-UHFFFAOYSA-N 0 0 320.368 0.468 10 30 DCEERN C#CCN(C(=O)CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000729335286 662788656 /nfs/dbraw/zinc/78/86/56/662788656.db2.gz KYMQWYXUHUBGEF-CQSZACIVSA-N 0 0 323.418 0.621 10 30 DCEERN C[C@H]1CN(c2nccnc2C#N)CCN1CN1CCOC1=S ZINC000151480842 664342106 /nfs/dbraw/zinc/34/21/06/664342106.db2.gz NUIZUYFWARAYKQ-NSHDSACASA-N 0 0 318.406 0.433 10 30 DCEERN C#CCOc1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000173082785 664626752 /nfs/dbraw/zinc/62/67/52/664626752.db2.gz ODHOTHDOEKMPBB-UHFFFAOYSA-N 0 0 313.313 0.348 10 30 DCEERN CCC[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000174259713 664638053 /nfs/dbraw/zinc/63/80/53/664638053.db2.gz ZDSAHGUQSYGLNN-MNOVXSKESA-N 0 0 300.380 0.388 10 30 DCEERN C=C(COC(=O)c1ccnc(-n2cncn2)c1)C(=O)OCC ZINC000738631698 664784531 /nfs/dbraw/zinc/78/45/31/664784531.db2.gz XPJUTLLKLSRYLP-UHFFFAOYSA-N 0 0 302.290 0.938 10 30 DCEERN N#C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCN1C1CC1 ZINC000732664829 664950579 /nfs/dbraw/zinc/95/05/79/664950579.db2.gz PCCBOWSHGCMRSZ-ZDUSSCGKSA-N 0 0 323.360 0.475 10 30 DCEERN N#C[C@H]1CN(C(=O)CCCCN2CCOCC2)CCN1C1CC1 ZINC000732665175 664950586 /nfs/dbraw/zinc/95/05/86/664950586.db2.gz ZKIKGWLDOVOEFH-INIZCTEOSA-N 0 0 320.437 0.688 10 30 DCEERN CC(C)C[C@@H]1NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O ZINC000732672947 664951494 /nfs/dbraw/zinc/95/14/94/664951494.db2.gz QJODRYURGZGVMC-KGLIPLIRSA-N 0 0 319.409 0.583 10 30 DCEERN C#CCOCCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000154076997 665073222 /nfs/dbraw/zinc/07/32/22/665073222.db2.gz SAIKPDYWZWZHIK-CYBMUJFWSA-N 0 0 317.393 0.643 10 30 DCEERN C#CCCNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000733355845 666503624 /nfs/dbraw/zinc/50/36/24/666503624.db2.gz DOIJXBXHUXFOQL-UHFFFAOYSA-N 0 0 301.412 0.465 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000733673381 666795842 /nfs/dbraw/zinc/79/58/42/666795842.db2.gz YGKAXOMOYZOGRT-UHFFFAOYSA-N 0 0 317.345 0.232 10 30 DCEERN C=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)OCC ZINC000734029360 666837422 /nfs/dbraw/zinc/83/74/22/666837422.db2.gz LVHWDESGEAGGLU-ZDUSSCGKSA-N 0 0 321.329 0.440 10 30 DCEERN CC[S@](=O)CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000735082747 666948482 /nfs/dbraw/zinc/94/84/82/666948482.db2.gz QDSHUWCSNOFIIU-SFHVURJKSA-N 0 0 300.405 0.746 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000735196899 666965706 /nfs/dbraw/zinc/96/57/06/666965706.db2.gz DRYORZFOQUBREG-UHFFFAOYSA-N 0 0 322.386 0.618 10 30 DCEERN C=CCCC(C)(C)CNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000707745265 667441789 /nfs/dbraw/zinc/44/17/89/667441789.db2.gz GPZNJAMAUHOYAV-GFCCVEGCSA-N 0 0 302.440 0.872 10 30 DCEERN C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@@H]2CCO[C@H]2C)c1 ZINC000135532142 667604226 /nfs/dbraw/zinc/60/42/26/667604226.db2.gz ONYMOFQGLJFFEV-SMDDNHRTSA-N 0 0 322.386 0.703 10 30 DCEERN N#Cc1cccc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC000886071927 667728800 /nfs/dbraw/zinc/72/88/00/667728800.db2.gz QIVRDDLBMNJFOY-QGZVFWFLSA-N 0 0 315.373 0.920 10 30 DCEERN CC(C)N1C[C@H](Nc2ccc(S(N)(=O)=O)cc2C#N)CC1=O ZINC000742400931 667790563 /nfs/dbraw/zinc/79/05/63/667790563.db2.gz MVWQSDCKRRGQRY-LLVKDONJSA-N 0 0 322.390 0.627 10 30 DCEERN CC(C)NC(=O)CN(C)c1ccc(S(N)(=O)=O)cc1C#N ZINC000742396843 667790658 /nfs/dbraw/zinc/79/06/58/667790658.db2.gz HDEJGKFBSFUZND-UHFFFAOYSA-N 0 0 310.379 0.166 10 30 DCEERN Cn1cc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2C#N)cn1 ZINC000742413987 667791362 /nfs/dbraw/zinc/79/13/62/667791362.db2.gz RNVDPIYAORHJJT-ZDUSSCGKSA-N 0 0 321.362 0.085 10 30 DCEERN C#CC[C@H](CO)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000717767091 667949240 /nfs/dbraw/zinc/94/92/40/667949240.db2.gz ZVDLLNYSDZBNNF-SECBINFHSA-N 0 0 313.766 0.650 10 30 DCEERN C#CC[C@@H](CO)Nc1ncc(I)cn1 ZINC000717782595 667954385 /nfs/dbraw/zinc/95/43/85/667954385.db2.gz DQXGXBKQECUTSP-QMMMGPOBSA-N 0 0 303.103 0.877 10 30 DCEERN C#CCSCCNC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000130037572 669578572 /nfs/dbraw/zinc/57/85/72/669578572.db2.gz OIULAPOLPSUPIE-GFCCVEGCSA-N 0 0 318.464 0.673 10 30 DCEERN C=CCN(CC(=O)OCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131200630 669660872 /nfs/dbraw/zinc/66/08/72/669660872.db2.gz RHDUTPUMOWQCHT-CYBMUJFWSA-N 0 0 318.439 0.709 10 30 DCEERN N#Cc1cc(S(=O)(=O)NCC2OCCCO2)ccc1F ZINC000716373242 670263178 /nfs/dbraw/zinc/26/31/78/670263178.db2.gz ZYHPWUOTWKRPHW-UHFFFAOYSA-N 0 0 300.311 0.739 10 30 DCEERN C#CC[C@H](COC)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000716916611 670275474 /nfs/dbraw/zinc/27/54/74/670275474.db2.gz PPGHERDWFNGROD-MNOVXSKESA-N 0 0 305.421 0.061 10 30 DCEERN CCCCCCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000112495705 670608366 /nfs/dbraw/zinc/60/83/66/670608366.db2.gz JSJYENLFQHYDBT-LBPRGKRZSA-N 0 0 314.407 0.923 10 30 DCEERN C#CCOc1ccc(NC(=O)C(=O)NCC2(C)COC2)cc1 ZINC000112758017 670649262 /nfs/dbraw/zinc/64/92/62/670649262.db2.gz YCLCLARSDPQBFB-UHFFFAOYSA-N 0 0 302.330 0.790 10 30 DCEERN CCCCCNC(=O)[C@H](C#N)C(=O)CCCS(C)(=O)=O ZINC000108937514 670860212 /nfs/dbraw/zinc/86/02/12/670860212.db2.gz CUOLUXGRYXCQBG-LLVKDONJSA-N 0 0 302.396 0.826 10 30 DCEERN C#CCN(C(=O)Cc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000104307439 671927308 /nfs/dbraw/zinc/92/73/08/671927308.db2.gz HFVQQLMZOATOFW-GFCCVEGCSA-N 0 0 312.416 0.643 10 30 DCEERN CC(C)OC(=O)CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720325045 685312314 /nfs/dbraw/zinc/31/23/14/685312314.db2.gz ZCBNKRTWXKHMRP-UHFFFAOYSA-N 0 0 300.311 0.927 10 30 DCEERN C#CCN(C(=O)c1cncc(Cl)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000236059083 1180567150 /nfs/dbraw/zinc/56/71/50/1180567150.db2.gz ZFQMUXGXPXGLRL-SECBINFHSA-N 0 0 313.766 0.393 10 30 DCEERN C#CCn1ccc(CN(CC)C(=O)[C@@H](NC(N)=O)C(C)C)n1 ZINC000278617492 1187601377 /nfs/dbraw/zinc/60/13/77/1187601377.db2.gz BONPEFUIIUFOCV-ZDUSSCGKSA-N 0 0 305.382 0.558 10 30 DCEERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000179077020 529895955 /nfs/dbraw/zinc/89/59/55/529895955.db2.gz WEYITLUQCILUOI-LBPRGKRZSA-N 0 0 320.324 0.523 10 30 DCEERN CS(=O)(=O)OCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2CC1 ZINC000072236154 191080443 /nfs/dbraw/zinc/08/04/43/191080443.db2.gz SPZLAIOXCLVCKC-USZNOCQGSA-N 0 0 313.375 0.550 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000273340253 186432525 /nfs/dbraw/zinc/43/25/25/186432525.db2.gz ADWGVKHXIZNZNO-NSHDSACASA-N 0 0 313.379 0.070 10 30 DCEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000172308707 198076764 /nfs/dbraw/zinc/07/67/64/198076764.db2.gz SRTGCDPVIJQCNT-ZDUSSCGKSA-N 0 0 316.361 0.252 10 30 DCEERN C=CCn1nnnc1S[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000172919602 198167549 /nfs/dbraw/zinc/16/75/49/198167549.db2.gz PQROZASGBSLDJI-SNVBAGLBSA-N 0 0 319.394 0.799 10 30 DCEERN CCCCCCCCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000077312045 191690950 /nfs/dbraw/zinc/69/09/50/191690950.db2.gz CGVLVOOFCGWBCS-VJTDZRGJSA-N 0 0 308.440 0.880 10 30 in-vitro DCEERN N#Cc1ccc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)cn1 ZINC000408036747 283158825 /nfs/dbraw/zinc/15/88/25/283158825.db2.gz VOOHCFMUPOQBMA-INIZCTEOSA-N 0 0 300.362 0.907 10 30 DCEERN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246508408 238159994 /nfs/dbraw/zinc/15/99/94/238159994.db2.gz OOFZPQKFMUQIPF-JHJVBQTASA-N 0 0 322.409 0.292 10 30 DCEERN 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/nfs/dbraw/zinc/35/11/91/397351191.db2.gz DPYDBCKJQXIFFY-ZDUSSCGKSA-N 0 0 302.396 0.879 10 30 DCEERN CN(CCC#N)S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408338448 397353899 /nfs/dbraw/zinc/35/38/99/397353899.db2.gz ZOCGMKHMEMDLBE-STQMWFEESA-N 0 0 301.412 0.704 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2C[C@H](C(=O)OC)CCN2C1=O ZINC000424626062 397400860 /nfs/dbraw/zinc/40/08/60/397400860.db2.gz SXCMRRLWOHSZBQ-VOAKCMCISA-N 0 0 322.361 0.793 10 30 DCEERN CC#CCN(C)S(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000599313172 397401121 /nfs/dbraw/zinc/40/11/21/397401121.db2.gz GVFJIIFDWVWADK-UHFFFAOYSA-N 0 0 300.336 0.636 10 30 DCEERN C=CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000602449994 397405216 /nfs/dbraw/zinc/40/52/16/397405216.db2.gz NQIOCWICKKMXSS-LLVKDONJSA-N 0 0 314.367 0.503 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000425882744 397407733 /nfs/dbraw/zinc/40/77/33/397407733.db2.gz DWIYTURTXQZHGW-ZDEQEGDKSA-N 0 0 310.394 0.623 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1Cl ZINC000599493993 397458478 /nfs/dbraw/zinc/45/84/78/397458478.db2.gz WONSVAJDRALYIL-NWDGAFQWSA-N 0 0 316.766 0.640 10 30 DCEERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000600036137 397565792 /nfs/dbraw/zinc/56/57/92/397565792.db2.gz SSFVIEULSQXKLJ-NWDGAFQWSA-N 0 0 322.409 0.604 10 30 DCEERN C=CCN(C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000494644319 397531042 /nfs/dbraw/zinc/53/10/42/397531042.db2.gz AODRMEBHTCCIKF-CYBMUJFWSA-N 0 0 302.440 0.776 10 30 DCEERN CC(=O)N1CC[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000603378449 397604144 /nfs/dbraw/zinc/60/41/44/397604144.db2.gz DQIUVLBGCXIQQT-ZDUSSCGKSA-N 0 0 313.423 0.858 10 30 DCEERN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CC1 ZINC000605582705 397668996 /nfs/dbraw/zinc/66/89/96/397668996.db2.gz GHBXBZXCXPGUBA-NSHDSACASA-N 0 0 308.425 0.001 10 30 DCEERN Cc1nnc(NCCCN2CCCS2(=O)=O)c(C#N)c1C ZINC000608779256 397755339 /nfs/dbraw/zinc/75/53/39/397755339.db2.gz JCCXCTZWJMAGQX-UHFFFAOYSA-N 0 0 309.395 0.803 10 30 DCEERN C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[S@](C)=O ZINC000124112249 158238812 /nfs/dbraw/zinc/23/88/12/158238812.db2.gz IGDPVYLPKJENMO-DYBLOJMWSA-N 0 0 301.393 0.389 10 30 DCEERN Cc1ccc(C#N)cc1OCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000131547659 158303010 /nfs/dbraw/zinc/30/30/10/158303010.db2.gz SAANEXSUXXIJDR-ZDUSSCGKSA-N 0 0 301.346 0.969 10 30 DCEERN CCN1C[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O ZINC000183678887 158501438 /nfs/dbraw/zinc/50/14/38/158501438.db2.gz QVWVJQOPHLEPHJ-LBPRGKRZSA-N 0 0 324.344 0.946 10 30 DCEERN CN1CCO[C@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@H]21 ZINC000408286318 160077006 /nfs/dbraw/zinc/07/70/06/160077006.db2.gz LNGCTFUEAJDXBA-CABCVRRESA-N 0 0 321.402 0.403 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000132288733 287004629 /nfs/dbraw/zinc/00/46/29/287004629.db2.gz RVGZLHXKYRFVLC-CYBMUJFWSA-N 0 0 300.293 0.992 10 30 DCEERN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000268262404 415186013 /nfs/dbraw/zinc/18/60/13/415186013.db2.gz RQVKHHQMEBUPNM-CMPLNLGQSA-N 0 0 305.382 0.096 10 30 DCEERN CC(C)(O)C#Cc1ccc(CN2CC[C@@]([NH3+])(C(=O)[O-])C2)s1 ZINC000067641443 415377295 /nfs/dbraw/zinc/37/72/95/415377295.db2.gz HWHSNVNZEFZURG-HNNXBMFYSA-N 0 0 308.403 0.858 10 30 DCEERN N#Cc1ccc(OCCNC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000074736739 415434211 /nfs/dbraw/zinc/43/42/11/415434211.db2.gz QNGAYCDBHFFHMR-CQSZACIVSA-N 0 0 300.318 0.871 10 30 DCEERN C=CCCCN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000076491425 415458261 /nfs/dbraw/zinc/45/82/61/415458261.db2.gz KUTWAQOTJOSODQ-UHFFFAOYSA-N 0 0 309.391 0.909 10 30 DCEERN CS(=O)(=O)CCCS(=O)(=O)N(CCC#N)CC1CC1 ZINC000078806755 415469771 /nfs/dbraw/zinc/46/97/71/415469771.db2.gz VNLMGIGWLAXHKO-UHFFFAOYSA-N 0 0 308.425 0.377 10 30 DCEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000288136501 415677711 /nfs/dbraw/zinc/67/77/11/415677711.db2.gz LEDCEEZOPQAVHX-KBPBESRZSA-N 0 0 324.425 0.903 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)CCOC)CC1 ZINC000114951611 415724242 /nfs/dbraw/zinc/72/42/42/415724242.db2.gz PWQUDOCVXJTDHI-ZDUSSCGKSA-N 0 0 312.414 0.041 10 30 DCEERN C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)COC2)cc1 ZINC000112693989 415714306 /nfs/dbraw/zinc/71/43/06/415714306.db2.gz FRZKHZJJEQESMQ-UHFFFAOYSA-N 0 0 324.402 0.917 10 30 DCEERN C=CCCOCCNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000122417884 415832019 /nfs/dbraw/zinc/83/20/19/415832019.db2.gz XNKMDIAHEYAAFQ-UHFFFAOYSA-N 0 0 321.425 0.840 10 30 DCEERN C=CCOCC(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000354783441 415819573 /nfs/dbraw/zinc/81/95/73/415819573.db2.gz GKZSTFHHODSRNX-UHFFFAOYSA-N 0 0 310.375 0.686 10 30 DCEERN N#CC1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCCC1 ZINC000122016751 415824318 /nfs/dbraw/zinc/82/43/18/415824318.db2.gz USDDRFWYDDMSHK-UHFFFAOYSA-N 0 0 320.374 0.437 10 30 DCEERN N#CCCCS(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122225414 415828269 /nfs/dbraw/zinc/82/82/69/415828269.db2.gz ZAXSXEIYFYZZJX-UHFFFAOYSA-N 0 0 309.395 0.986 10 30 DCEERN C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCS1 ZINC000124612420 415853499 /nfs/dbraw/zinc/85/34/99/415853499.db2.gz SXQDYMFVDKRJEX-JTQLQIEISA-N 0 0 307.379 0.699 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000297278068 415961460 /nfs/dbraw/zinc/96/14/60/415961460.db2.gz GRIOBLWWHYZOPZ-NSHDSACASA-N 0 0 307.350 0.780 10 30 DCEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000146967206 415962125 /nfs/dbraw/zinc/96/21/25/415962125.db2.gz DHNIGZHQTNMNRB-CYBMUJFWSA-N 0 0 313.423 0.953 10 30 DCEERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(CC#N)CC1 ZINC000151677135 415966045 /nfs/dbraw/zinc/96/60/45/415966045.db2.gz YYHFYMWUSATHLD-CYBMUJFWSA-N 0 0 309.414 0.532 10 30 DCEERN C=CCN1CC[C@@H](N(C)CCn2nc3ccccn3c2=O)C1=O ZINC000337233430 415930751 /nfs/dbraw/zinc/93/07/51/415930751.db2.gz WLRZUIZPBGHHCQ-CYBMUJFWSA-N 0 0 315.377 0.215 10 30 DCEERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000166722759 416023339 /nfs/dbraw/zinc/02/33/39/416023339.db2.gz OXPJHZSPSHIJBQ-CYBMUJFWSA-N 0 0 314.345 0.542 10 30 DCEERN CN1C[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1=O ZINC000329085429 416148035 /nfs/dbraw/zinc/14/80/35/416148035.db2.gz GHQGMMRBYDMHNI-MNOVXSKESA-N 0 0 311.407 0.875 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)NC)cc2C1=O ZINC000338996243 416149327 /nfs/dbraw/zinc/14/93/27/416149327.db2.gz OHHVDXOPJHRYSX-UHFFFAOYSA-N 0 0 315.329 0.287 10 30 DCEERN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329097475 416149958 /nfs/dbraw/zinc/14/99/58/416149958.db2.gz YNAVCBZUDHYMSM-KGYLQXTDSA-N 0 0 317.353 0.002 10 30 DCEERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(C)C ZINC000179129108 416183371 /nfs/dbraw/zinc/18/33/71/416183371.db2.gz FTSPVGPUVNYWKI-CQSZACIVSA-N 0 0 316.361 0.175 10 30 DCEERN CC(C)(CNC(=O)[C@H]1COCCO1)N1CCS(=O)CC1 ZINC000329711998 416185230 /nfs/dbraw/zinc/18/52/30/416185230.db2.gz PJTABTPGMJXKDL-LLVKDONJSA-N 0 0 304.412 0.201 10 30 DCEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329693428 416185645 /nfs/dbraw/zinc/18/56/45/416185645.db2.gz CLLUESLMWUPPSR-VHSXEESVSA-N 0 0 320.436 0.832 10 30 DCEERN C=CCNC(=O)CNC(=O)c1nn(CC)c2ccccc2c1=O ZINC000347891095 416226367 /nfs/dbraw/zinc/22/63/67/416226367.db2.gz JNEQVWJPYGDLQF-UHFFFAOYSA-N 0 0 314.345 0.448 10 30 DCEERN CC(C)[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329247498 416158905 /nfs/dbraw/zinc/15/89/05/416158905.db2.gz WDJWEBQPVOGHEH-YNEHKIRRSA-N 0 0 309.370 0.489 10 30 DCEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN1CCNC(=O)C1 ZINC000329305618 416161809 /nfs/dbraw/zinc/16/18/09/416161809.db2.gz OVYHWKJSVYJMAM-NSHDSACASA-N 0 0 321.385 0.197 10 30 DCEERN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000178483034 416164412 /nfs/dbraw/zinc/16/44/12/416164412.db2.gz MKEHJDSKTTWTHG-CYBMUJFWSA-N 0 0 316.361 0.252 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCS2)CC1 ZINC000330837273 416242312 /nfs/dbraw/zinc/24/23/12/416242312.db2.gz WRVDTZPMHWWZBX-ZDUSSCGKSA-N 0 0 311.451 0.719 10 30 DCEERN C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnccc2C)C1=O ZINC000331349506 416307736 /nfs/dbraw/zinc/30/77/36/416307736.db2.gz XWLMPVROOGHQIS-GFCCVEGCSA-N 0 0 309.391 0.797 10 30 DCEERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000190683863 416281549 /nfs/dbraw/zinc/28/15/49/416281549.db2.gz QEJHAGMBWWCZKT-NSHDSACASA-N 0 0 314.345 0.428 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192070409 416298017 /nfs/dbraw/zinc/29/80/17/416298017.db2.gz MLGSKLGTZLCMTI-ZYHUDNBSSA-N 0 0 306.366 0.846 10 30 DCEERN C=CCNC(=O)CN1CCN(C(=O)CCCCSC)CC1 ZINC000352169203 416299102 /nfs/dbraw/zinc/29/91/02/416299102.db2.gz WYUOQPSRPYATCX-UHFFFAOYSA-N 0 0 313.467 0.966 10 30 DCEERN C=CCNC(=O)CN1CCN(c2nccnc2OC(C)C)CC1 ZINC000359706730 416354574 /nfs/dbraw/zinc/35/45/74/416354574.db2.gz LKHUJVFDKNRHOV-UHFFFAOYSA-N 0 0 319.409 0.688 10 30 DCEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1C[C@@H]1C ZINC000360079779 416369418 /nfs/dbraw/zinc/36/94/18/416369418.db2.gz UALJDLQSHQHXQL-GMXVVIOVSA-N 0 0 321.402 0.997 10 30 DCEERN C=CCn1cc(C(=O)Nc2nn(C)cc2C(=O)OCC)nn1 ZINC000592615673 416543924 /nfs/dbraw/zinc/54/39/24/416543924.db2.gz RWTOGIVPIJDDQA-UHFFFAOYSA-N 0 0 304.310 0.627 10 30 DCEERN N#Cc1ccsc1C(=O)N(CCO)CCN1CCOCC1 ZINC000434905023 416505510 /nfs/dbraw/zinc/50/55/10/416505510.db2.gz HSLKHZOJRUAGIP-UHFFFAOYSA-N 0 0 309.391 0.386 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000584182713 416505988 /nfs/dbraw/zinc/50/59/88/416505988.db2.gz IYQAARKYSIHOBQ-MRXNPFEDSA-N 0 0 310.394 0.867 10 30 DCEERN C[C@@H](C(=O)N1CC(=O)Nc2c(F)cccc21)n1cnc(C#N)n1 ZINC000361902616 416520872 /nfs/dbraw/zinc/52/08/72/416520872.db2.gz XNUNRUGCBWGTIW-QMMMGPOBSA-N 0 0 314.280 0.835 10 30 DCEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)OCC)n[nH]1 ZINC000597480148 416594465 /nfs/dbraw/zinc/59/44/65/416594465.db2.gz MFLFGDGAPBYJPL-SNVBAGLBSA-N 0 0 308.338 0.996 10 30 DCEERN C=CCCSCCNC(=O)C(=O)Nc1ncn(C(C)C)n1 ZINC000595116481 416569618 /nfs/dbraw/zinc/56/96/18/416569618.db2.gz YISBWIRYUMAICO-UHFFFAOYSA-N 0 0 311.411 1.223 10 30 DCEERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363079598 416574450 /nfs/dbraw/zinc/57/44/50/416574450.db2.gz CYBNNLUQFVHSDC-CABCVRRESA-N 0 0 318.421 0.976 10 30 DCEERN N#C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C1CC1 ZINC000363872693 416577522 /nfs/dbraw/zinc/57/75/22/416577522.db2.gz OBMRSAFSJNCLKJ-HNNXBMFYSA-N 0 0 323.352 0.966 10 30 DCEERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2nn(C)cc2C#N)C1 ZINC000610528256 416657640 /nfs/dbraw/zinc/65/76/40/416657640.db2.gz ZAXQPXKORSHYAF-NSHDSACASA-N 0 0 304.354 0.814 10 30 DCEERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2nn(C)cc2C#N)C1 ZINC000610528255 416657783 /nfs/dbraw/zinc/65/77/83/416657783.db2.gz ZAXQPXKORSHYAF-LLVKDONJSA-N 0 0 304.354 0.814 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000425796630 416726835 /nfs/dbraw/zinc/72/68/35/416726835.db2.gz RMLGCBWBBCCFNE-AAEUAGOBSA-N 0 0 318.377 0.865 10 30 DCEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000624296561 417003182 /nfs/dbraw/zinc/00/31/82/417003182.db2.gz ADBNCJSKGFLAJB-NSHDSACASA-N 0 0 303.428 0.922 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000616295775 417007782 /nfs/dbraw/zinc/00/77/82/417007782.db2.gz HTBVJQJSFPXMKM-OLZOCXBDSA-N 0 0 305.382 0.900 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1oc(S(N)(=O)=O)cc1C ZINC000616409089 417038367 /nfs/dbraw/zinc/03/83/67/417038367.db2.gz ICLBJPFYHDOXPF-UWVGGRQHSA-N 0 0 314.363 0.556 10 30 DCEERN CC(C)[C@H](CNC(=O)c1ccc(C#N)n1C)N1CCOCC1 ZINC000448633264 417090931 /nfs/dbraw/zinc/09/09/31/417090931.db2.gz NJTHIVLFPSWNCX-HNNXBMFYSA-N 0 0 304.394 0.983 10 30 DCEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC)C(=O)C1=O ZINC000617037961 417160370 /nfs/dbraw/zinc/16/03/70/417160370.db2.gz SZRQVFMSKQJIDH-UONOGXRCSA-N 0 0 321.421 0.928 10 30 DCEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC000617038613 417159755 /nfs/dbraw/zinc/15/97/55/417159755.db2.gz ZQTSLLGWFCAAPT-KBPBESRZSA-N 0 0 314.451 0.968 10 30 DCEERN C=CCCS(=O)(=O)N1CCN(CCc2cnccn2)CC1 ZINC000632713042 417236300 /nfs/dbraw/zinc/23/63/00/417236300.db2.gz LQOOYTXYEJALOD-UHFFFAOYSA-N 0 0 310.423 0.543 10 30 DCEERN C=CCNC(=O)CNC(=O)c1cc(N2CCCCC2)ncn1 ZINC000621944458 417350565 /nfs/dbraw/zinc/35/05/65/417350565.db2.gz IACUMIXNWPETBQ-UHFFFAOYSA-N 0 0 303.366 0.499 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000569805236 417297540 /nfs/dbraw/zinc/29/75/40/417297540.db2.gz QDGHSJUDTKFSRR-STQMWFEESA-N 0 0 317.393 0.758 10 30 DCEERN CCS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)n2C)[C@H](C)C1 ZINC000451765125 417395082 /nfs/dbraw/zinc/39/50/82/417395082.db2.gz XBXKKYYQBNYVBU-LLVKDONJSA-N 0 0 324.406 0.393 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000572149526 417456887 /nfs/dbraw/zinc/45/68/87/417456887.db2.gz IJKLZKRYCYOFCN-CABZTGNLSA-N 0 0 311.363 0.050 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000573046364 417465248 /nfs/dbraw/zinc/46/52/48/417465248.db2.gz YCUOGOCVZYDGOE-CYBMUJFWSA-N 0 0 305.334 0.637 10 30 DCEERN CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627626365 417475913 /nfs/dbraw/zinc/47/59/13/417475913.db2.gz AKVASOSKSDIGOY-LBPRGKRZSA-N 0 0 319.361 0.699 10 30 DCEERN C=C[C@H](O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000623040694 417530637 /nfs/dbraw/zinc/53/06/37/417530637.db2.gz HYVGCOWRULHWMB-ZDUSSCGKSA-N 0 0 307.325 0.120 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000627830865 417509945 /nfs/dbraw/zinc/50/99/45/417509945.db2.gz QORBHPSSNRIYLT-SCRDCRAPSA-N 0 0 318.377 0.480 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000576339752 417601198 /nfs/dbraw/zinc/60/11/98/417601198.db2.gz GSGVTVXADYINBB-ONGXEEELSA-N 0 0 311.363 0.050 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000579828390 417694883 /nfs/dbraw/zinc/69/48/83/417694883.db2.gz TZLVODWLFQXXSU-RYUDHWBXSA-N 0 0 316.365 0.630 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000628944931 417733902 /nfs/dbraw/zinc/73/39/02/417733902.db2.gz 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ZINC000373826896 277780161 /nfs/dbraw/zinc/78/01/61/277780161.db2.gz ZIOQXJOXJMVTHO-WCQYABFASA-N 0 0 303.380 0.404 10 30 DCEERN C[C@@H](C(=O)N[C@H]1COc2ccccc2C1=O)n1cnc(C#N)n1 ZINC000545993135 288011578 /nfs/dbraw/zinc/01/15/78/288011578.db2.gz WMCHUPNALZUJQX-ONGXEEELSA-N 0 0 311.301 0.471 10 30 DCEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1CCSCC1 ZINC000366712557 278192641 /nfs/dbraw/zinc/19/26/41/278192641.db2.gz YFORWAVDKKAHJO-JSGCOSHPSA-N 0 0 308.451 0.622 10 30 DCEERN COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000546711360 288027869 /nfs/dbraw/zinc/02/78/69/288027869.db2.gz KBJKRGMRVFNBIA-UHFFFAOYSA-N 0 0 313.317 0.555 10 30 DCEERN CC(=O)N1CC[C@@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000552354034 288273508 /nfs/dbraw/zinc/27/35/08/288273508.db2.gz NHMRXWIJCVOCMS-AWEZNQCLSA-N 0 0 301.346 0.922 10 30 DCEERN Cn1cc(C#N)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408032304 294202333 /nfs/dbraw/zinc/20/23/33/294202333.db2.gz UWYLVZAKPFYEIX-BPLDGKMQSA-N 0 0 303.362 0.899 10 30 DCEERN N#CC1(C(=O)N2CCCN(c3cccnn3)CC2)CCOCC1 ZINC000171764515 294781425 /nfs/dbraw/zinc/78/14/25/294781425.db2.gz VJFLYHSUXLJTAG-UHFFFAOYSA-N 0 0 315.377 0.836 10 30 DCEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000329668829 300377673 /nfs/dbraw/zinc/37/76/73/300377673.db2.gz RDJKVJWEMSEZPY-GARJFASQSA-N 0 0 304.412 0.833 10 30 DCEERN Cc1noc2ncc(C(=O)N3CCN(C(=O)CC#N)CC3)cc12 ZINC000408060318 331745252 /nfs/dbraw/zinc/74/52/52/331745252.db2.gz DGFUMBPJAVQJIH-UHFFFAOYSA-N 0 0 313.317 0.729 10 30 DCEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCn2c(CO)nnc2C1 ZINC000426447853 332462482 /nfs/dbraw/zinc/46/24/82/332462482.db2.gz NOGFSGSGFYBXLL-GFCCVEGCSA-N 0 0 305.382 0.175 10 30 DCEERN C=CCn1cc(CNC(=O)N2CCO[C@]3(CCSC3)C2)nn1 ZINC000563885437 335124048 /nfs/dbraw/zinc/12/40/48/335124048.db2.gz SQVSEEUGWMSORN-CQSZACIVSA-N 0 0 323.422 0.882 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](COCC)C1 ZINC000425910916 334681343 /nfs/dbraw/zinc/68/13/43/334681343.db2.gz ZCQMBBBASHKBCE-IHRRRGAJSA-N 0 0 310.394 0.579 10 30 DCEERN C=CCC1(C(=O)NCCS(=O)(=O)N(C)C)CCOCC1 ZINC000424831902 334742146 /nfs/dbraw/zinc/74/21/46/334742146.db2.gz NCNCJVBGNLFFQV-UHFFFAOYSA-N 0 0 304.412 0.367 10 30 DCEERN C=CCN(C(=O)c1ncc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000330891562 334821693 /nfs/dbraw/zinc/82/16/93/334821693.db2.gz XFEVZAACKCMOEG-NSHDSACASA-N 0 0 310.375 0.911 10 30 DCEERN [O-]C(=[NH+][C@@H]1CCc2ncnn2C1)N1CCC[C@H](n2cncn2)C1 ZINC000329811507 336084915 /nfs/dbraw/zinc/08/49/15/336084915.db2.gz RKANHPVMWWMYRR-NEPJUHHUSA-N 0 0 316.369 0.436 10 30 DCEERN C[C@H](NC(=O)CN1CCN(C)[C@H](C#N)C1)C(=O)N1CCCCC1 ZINC000329916414 336095008 /nfs/dbraw/zinc/09/50/08/336095008.db2.gz DQVQRYRLITUMFN-UONOGXRCSA-N 0 0 321.425 0.483 10 30 DCEERN Cn1nncc1CNC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000330236522 336128154 /nfs/dbraw/zinc/12/81/54/336128154.db2.gz ZGUASERYKACXFI-GHMZBOCLSA-N 0 0 315.399 0.175 10 30 DCEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000330356855 336177003 /nfs/dbraw/zinc/17/70/03/336177003.db2.gz SCZSKJVKKGQFRJ-GRYCIOLGSA-N 0 0 304.412 0.834 10 30 DCEERN CN1CCN(S(=O)(=O)CCC2CCOCC2)C[C@@H]1C#N ZINC000330360680 336181060 /nfs/dbraw/zinc/18/10/60/336181060.db2.gz XLGSWAYRNAFBEV-ZDUSSCGKSA-N 0 0 301.412 0.272 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C(C)(C)C)C2)C1=O ZINC000583306829 337312796 /nfs/dbraw/zinc/31/27/96/337312796.db2.gz DOIFAEDXCBCCER-UHFFFAOYSA-N 0 0 307.350 0.468 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(CC)nn1C ZINC000425794120 338017515 /nfs/dbraw/zinc/01/75/15/338017515.db2.gz ADJWIEBGJRSVEA-JQWIXIFHSA-N 0 0 306.366 0.628 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCSCC ZINC000425892963 338018465 /nfs/dbraw/zinc/01/84/65/338018465.db2.gz RHMPEPSBJMJSFW-RYUDHWBXSA-N 0 0 300.424 0.953 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@](C)(OC)C1 ZINC000425901957 338018669 /nfs/dbraw/zinc/01/86/69/338018669.db2.gz UOKJFPMZJCHELB-XEZPLFJOSA-N 0 0 310.394 0.721 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000425909224 338018769 /nfs/dbraw/zinc/01/87/69/338018769.db2.gz NEDLZOUZJQWRNP-IHRRRGAJSA-N 0 0 308.378 0.331 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000425910482 338018868 /nfs/dbraw/zinc/01/88/68/338018868.db2.gz VZYWLLQXKNYZLE-KBPBESRZSA-N 0 0 322.405 0.865 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2oc(CC)nc2C)CC1 ZINC000428468269 338053979 /nfs/dbraw/zinc/05/39/79/338053979.db2.gz DHLIXQIGIVEVQR-UHFFFAOYSA-N 0 0 306.410 0.965 10 30 DCEERN C=CCN1C(=O)N=NC1S(=O)(=O)Cc1cccc(OCC)n1 ZINC000429907915 338091889 /nfs/dbraw/zinc/09/18/89/338091889.db2.gz KNTGFCOQMYGNIM-UHFFFAOYSA-N 0 0 324.362 0.937 10 30 DCEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000430413912 338106709 /nfs/dbraw/zinc/10/67/09/338106709.db2.gz AWBKNXAYRDUTJK-HIFRSBDPSA-N 0 0 321.421 0.390 10 30 DCEERN C=CCN1CC[C@H](N(C)C(=O)Nc2cn(C)nc2OC)C1=O ZINC000439389664 338368343 /nfs/dbraw/zinc/36/83/43/338368343.db2.gz 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666003602 /nfs/dbraw/zinc/00/36/02/666003602.db2.gz PWINATYYOJIKOQ-GFCCVEGCSA-N 0 0 315.333 0.259 10 30 DCEERN C#CCCNC(=O)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000733672809 666795209 /nfs/dbraw/zinc/79/52/09/666795209.db2.gz BMVOAJYQXDSMGE-UHFFFAOYSA-N 0 0 307.737 0.778 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)N2CC(OCCCOC)C2)c1 ZINC000122835630 667688868 /nfs/dbraw/zinc/68/88/68/667688868.db2.gz YYKMJVXXAWJAQG-UHFFFAOYSA-N 0 0 316.357 0.870 10 30 DCEERN COC(=O)c1ccc(=O)n(CN(C)Cc2cccc(C#N)c2)n1 ZINC000739839203 667720992 /nfs/dbraw/zinc/72/09/92/667720992.db2.gz RUCJRAXRILNMLU-UHFFFAOYSA-N 0 0 312.329 0.991 10 30 DCEERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137452752 667744148 /nfs/dbraw/zinc/74/41/48/667744148.db2.gz FKHZPGTYXAPVOT-YPMHNXCESA-N 0 0 314.341 0.879 10 30 DCEERN C=C(COC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)OCC ZINC000741341527 667767949 /nfs/dbraw/zinc/76/79/49/667767949.db2.gz QRGRLOQJAXINSR-YPKPFQOOSA-N 0 0 322.317 0.565 10 30 DCEERN CC(C)(C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742401269 667791271 /nfs/dbraw/zinc/79/12/71/667791271.db2.gz RIKDXZZYVGCMPM-UHFFFAOYSA-N 0 0 324.406 0.922 10 30 DCEERN C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(CNC(C)=O)s1 ZINC000743144999 667803920 /nfs/dbraw/zinc/80/39/20/667803920.db2.gz UADJVMUYWYSWOA-SECBINFHSA-N 0 0 308.359 0.679 10 30 DCEERN C#CCCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000127288393 668761362 /nfs/dbraw/zinc/76/13/62/668761362.db2.gz WRUSMFSDJARYAS-DLBZAZTESA-N 0 0 319.449 0.797 10 30 DCEERN C#Cc1cccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)c1 ZINC000189645063 670139639 /nfs/dbraw/zinc/13/96/39/670139639.db2.gz OGGMVAWHDCZWRE-UHFFFAOYSA-N 0 0 311.297 0.615 10 30 DCEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCO[C@@H](CO)C2)c1 ZINC000718548976 685305232 /nfs/dbraw/zinc/30/52/32/685305232.db2.gz FKAHVXXIBQBNFF-LLVKDONJSA-N 0 0 300.311 0.079 10 30 DCEERN C=C1[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000017780546 685051815 /nfs/dbraw/zinc/05/18/15/685051815.db2.gz QCKHQBAUOKIUCT-XDQVBPFNSA-N 0 0 308.378 0.379 10 30 DCEERN CS(=O)(=O)N1CC[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000407237987 1190349428 /nfs/dbraw/zinc/34/94/28/1190349428.db2.gz VXYASJXDYOYKQW-SSDOTTSWSA-N 0 0 316.364 0.974 10 30 DCEERN COc1ccc(O)cc1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588409670 747251059 /nfs/dbraw/zinc/25/10/59/747251059.db2.gz KQKAQZROJZZXLR-XQRVVYSFSA-N 0 0 316.313 0.694 10 30 DCEERN Cn1cc([C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)cn1 ZINC000097144547 185415645 /nfs/dbraw/zinc/41/56/45/185415645.db2.gz IMGBESGVEKIKIT-LBPRGKRZSA-N 0 0 310.379 0.427 10 30 DCEERN CNC(=O)[C@H]1CN(c2nccc(C)c2C#N)C[C@@H]1c1cnn(C)c1 ZINC000299746814 529929044 /nfs/dbraw/zinc/92/90/44/529929044.db2.gz ZZPPERAWYKYOGG-CABCVRRESA-N 0 0 324.388 0.961 10 30 DCEERN CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)OC ZINC000147429498 186040106 /nfs/dbraw/zinc/04/01/06/186040106.db2.gz WJYNLVNFJDRIBC-UHFFFAOYSA-N 0 0 310.375 0.827 10 30 DCEERN CCCCCCCCS[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000001619905 180880091 /nfs/dbraw/zinc/88/00/91/180880091.db2.gz CGVLVOOFCGWBCS-QNSTZXKLSA-N 0 0 308.440 0.880 10 30 DCEERN N#C/N=C(\N)c1sc2sc(/C(N)=N/C#N)c(N)c2c1N ZINC000005380609 181237151 /nfs/dbraw/zinc/23/71/51/181237151.db2.gz CCGJKZRPBROMHY-UHFFFAOYSA-N 0 0 304.364 0.500 10 30 DCEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000171598526 237135932 /nfs/dbraw/zinc/13/59/32/237135932.db2.gz SGPYCXCLWSCPCT-QWHCGFSZSA-N 0 0 316.365 0.379 10 30 DCEERN N#C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCO1 ZINC000363663104 239113940 /nfs/dbraw/zinc/11/39/40/239113940.db2.gz ZBECFULXDFBIEO-CHWSQXEVSA-N 0 0 323.418 0.829 10 30 DCEERN N#C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCN1C1CC1 ZINC000365887261 239128584 /nfs/dbraw/zinc/12/85/84/239128584.db2.gz XWRVMEJPJXLTLO-FZMZJTMJSA-N 0 0 317.393 0.131 10 30 DCEERN Cc1nn(C)c(=O)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C ZINC000370972075 239179885 /nfs/dbraw/zinc/17/98/85/239179885.db2.gz HSZHIVNAWLVJMN-CYBMUJFWSA-N 0 0 315.377 0.210 10 30 DCEERN N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCN1C1CC1 ZINC000371622942 239185677 /nfs/dbraw/zinc/18/56/77/239185677.db2.gz ZIIDMEZBSOSXCQ-KGLIPLIRSA-N 0 0 313.423 0.557 10 30 DCEERN Cc1noc(CCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000377666406 239239856 /nfs/dbraw/zinc/23/98/56/239239856.db2.gz DKVKEZZEKHUDSL-ZDUSSCGKSA-N 0 0 303.366 0.900 10 30 DCEERN N#C[C@H]1CN(S(=O)(=O)CCC(F)(F)F)CCN1C1CC1 ZINC000375101850 239214442 /nfs/dbraw/zinc/21/44/42/239214442.db2.gz ROKNAWGLLNMOKF-JTQLQIEISA-N 0 0 311.329 0.941 10 30 DCEERN O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CCc2ncnn2C1 ZINC000137248230 283733746 /nfs/dbraw/zinc/73/37/46/283733746.db2.gz QNHZBHGAZSWWKH-GFCCVEGCSA-N 0 0 310.313 0.490 10 30 DCEERN CCc1nc(C(C)(C)NC(=O)[C@@H](C)n2cnc(C#N)n2)no1 ZINC000441731246 240535244 /nfs/dbraw/zinc/53/52/44/240535244.db2.gz QFPHPLXHWGBASV-MRVPVSSYSA-N 0 0 303.326 0.708 10 30 DCEERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(C#N)cn2C)O1 ZINC000091630181 193081424 /nfs/dbraw/zinc/08/14/24/193081424.db2.gz NMQSKZQFRXDQQB-WCQYABFASA-N 0 0 304.350 0.262 10 30 DCEERN C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000274820863 211961831 /nfs/dbraw/zinc/96/18/31/211961831.db2.gz QCROYVAMUQXXKD-GFCCVEGCSA-N 0 0 302.330 0.884 10 30 DCEERN C=CC[C@@H](CO)NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000273607433 210913065 /nfs/dbraw/zinc/91/30/65/210913065.db2.gz UQUDMHXYSVLMHG-LBPRGKRZSA-N 0 0 322.361 0.487 10 30 DCEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000061889816 184192535 /nfs/dbraw/zinc/19/25/35/184192535.db2.gz LBJPVOVVDPJPHJ-GXSJLCMTSA-N 0 0 306.409 0.175 10 30 DCEERN COc1ccnc(N2CCN(C(=O)C3(C#N)CCC3)CC2)n1 ZINC000408192635 533063967 /nfs/dbraw/zinc/06/39/67/533063967.db2.gz OKOGWSIWSNOAQE-UHFFFAOYSA-N 0 0 301.350 0.828 10 30 DCEERN COC(=O)C(C)(C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000378115364 533136361 /nfs/dbraw/zinc/13/63/61/533136361.db2.gz AYUHSTMISWKBOA-GFCCVEGCSA-N 0 0 308.382 0.567 10 30 DCEERN C#Cc1cccc(NC(=O)CNS(=O)(=O)CC(C)(C)OC)c1 ZINC000289638317 335062025 /nfs/dbraw/zinc/06/20/25/335062025.db2.gz ZDVGXZJOTLQCMJ-UHFFFAOYSA-N 0 0 324.402 0.951 10 30 DCEERN COC(=O)CSCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370986617 533575019 /nfs/dbraw/zinc/57/50/19/533575019.db2.gz UJRIEELEGMNTLI-GFCCVEGCSA-N 0 0 311.407 0.481 10 30 DCEERN C=CCNC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 ZINC000022747502 395691981 /nfs/dbraw/zinc/69/19/81/395691981.db2.gz XDDAMEGTEFODGZ-UHFFFAOYSA-N 0 0 307.398 0.613 10 30 DCEERN C=CCNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000027555816 395695158 /nfs/dbraw/zinc/69/51/58/395695158.db2.gz NIUZNLBPVQQSES-JTQLQIEISA-N 0 0 309.391 0.387 10 30 DCEERN N#Cc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccn1 ZINC000194970245 395812741 /nfs/dbraw/zinc/81/27/41/395812741.db2.gz DNOHFONGEZVUGF-UHFFFAOYSA-N 0 0 302.315 0.853 10 30 DCEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000113298252 395828974 /nfs/dbraw/zinc/82/89/74/395828974.db2.gz BZBMQBRTFIGEQS-JTQLQIEISA-N 0 0 321.337 0.582 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000116890183 395848350 /nfs/dbraw/zinc/84/83/50/395848350.db2.gz UACOUSVFAIQOMV-CYBMUJFWSA-N 0 0 309.391 0.561 10 30 DCEERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000116929984 395849799 /nfs/dbraw/zinc/84/97/99/395849799.db2.gz VOKUANQBTTZIST-GFCCVEGCSA-N 0 0 308.363 0.714 10 30 DCEERN C[C@@H]1CCCN(S(=O)(=O)NC2CCN(CC#N)CC2)C1 ZINC000110824419 395801828 /nfs/dbraw/zinc/80/18/28/395801828.db2.gz MHYAFWRRXVETAH-GFCCVEGCSA-N 0 0 300.428 0.541 10 30 DCEERN C=CC[C@@H](CO)NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000273357991 395915658 /nfs/dbraw/zinc/91/56/58/395915658.db2.gz DCLZZNDHAWEHKB-JTQLQIEISA-N 0 0 316.354 0.864 10 30 DCEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCC(=O)NC)cc1 ZINC000273370932 395916972 /nfs/dbraw/zinc/91/69/72/395916972.db2.gz GCDAUEALDQSCTR-GFCCVEGCSA-N 0 0 307.350 0.870 10 30 DCEERN C=CC[C@@H](CO)NC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000273446425 395921753 /nfs/dbraw/zinc/92/17/53/395921753.db2.gz XFACDHDOSUPOPY-LBPRGKRZSA-N 0 0 323.397 0.007 10 30 DCEERN C=CC[C@H](CO)NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000273535610 395928057 /nfs/dbraw/zinc/92/80/57/395928057.db2.gz RUZHONZHPZPGAE-GFCCVEGCSA-N 0 0 307.350 0.287 10 30 DCEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000273540180 395928142 /nfs/dbraw/zinc/92/81/42/395928142.db2.gz SWQSAWCWFKWMTC-VIFPVBQESA-N 0 0 314.363 0.009 10 30 DCEERN C=CCNC(=O)CN1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000053423242 395883686 /nfs/dbraw/zinc/88/36/86/395883686.db2.gz KLAACSXTIFVCIY-CQSZACIVSA-N 0 0 310.442 0.067 10 30 DCEERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@H](C#N)C1CC1)C2=O ZINC000246255423 395945203 /nfs/dbraw/zinc/94/52/03/395945203.db2.gz MLXKHWIRZLESFO-SIVJFFJCSA-N 0 0 318.377 0.905 10 30 DCEERN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H]1C ZINC000247091593 395966666 /nfs/dbraw/zinc/96/66/66/395966666.db2.gz ROIVEOXVPMQESJ-NRUUGDAUSA-N 0 0 307.375 0.750 10 30 DCEERN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H]1C ZINC000247091569 395967015 /nfs/dbraw/zinc/96/70/15/395967015.db2.gz ROIVEOXVPMQESJ-KWBADKCTSA-N 0 0 307.375 0.750 10 30 DCEERN CCN(CCO)c1nn(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000256048058 396033628 /nfs/dbraw/zinc/03/36/28/396033628.db2.gz QJZGOFDASMNCPW-UHFFFAOYSA-N 0 0 302.294 0.866 10 30 DCEERN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCS(=O)(=O)C1 ZINC000249315208 396006424 /nfs/dbraw/zinc/00/64/24/396006424.db2.gz PIEXAGRJQDYCAL-IUODEOHRSA-N 0 0 308.403 0.958 10 30 DCEERN Cc1sc(NC(=O)CN2CCOC[C@@H]2CO)c(C#N)c1C ZINC000168860143 396090164 /nfs/dbraw/zinc/09/01/64/396090164.db2.gz XKBJKKADVVDKGD-NSHDSACASA-N 0 0 309.391 0.868 10 30 DCEERN C=CCN1C(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2C1=O ZINC000073063150 396141479 /nfs/dbraw/zinc/14/14/79/396141479.db2.gz JLDDDQGQZWHRMG-UHFFFAOYSA-N 0 0 313.357 0.856 10 30 DCEERN CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171115056 396106926 /nfs/dbraw/zinc/10/69/26/396106926.db2.gz UQHSYZIKOVKWNB-OAHLLOKOSA-N 0 0 314.389 0.889 10 30 DCEERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000178515289 396197794 /nfs/dbraw/zinc/19/77/94/396197794.db2.gz YISWFKFCPMQFHI-LBPRGKRZSA-N 0 0 307.375 0.766 10 30 DCEERN C=CCNC(=O)CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000181713300 396241450 /nfs/dbraw/zinc/24/14/50/396241450.db2.gz PGVWANABPFANEA-UHFFFAOYSA-N 0 0 305.363 0.576 10 30 DCEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000183212324 396264630 /nfs/dbraw/zinc/26/46/30/396264630.db2.gz NSDYYVWWCZBHJA-LBPRGKRZSA-N 0 0 315.333 0.259 10 30 DCEERN C=CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000180279164 396232199 /nfs/dbraw/zinc/23/21/99/396232199.db2.gz GPABVRHCFSNHDX-UHFFFAOYSA-N 0 0 313.766 0.792 10 30 DCEERN C=CCSCCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265311203 396306870 /nfs/dbraw/zinc/30/68/70/396306870.db2.gz PRUJIMLTMVFSFB-SNVBAGLBSA-N 0 0 307.441 0.239 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000185793368 396334999 /nfs/dbraw/zinc/33/49/99/396334999.db2.gz MYDNTOSYSIZTKS-GFCCVEGCSA-N 0 0 312.391 0.618 10 30 DCEERN CCN1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1=O ZINC000190654016 396409722 /nfs/dbraw/zinc/40/97/22/396409722.db2.gz MJWLVRLFESYCBB-UHFFFAOYSA-N 0 0 315.301 0.647 10 30 DCEERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(CC#N)CC1 ZINC000580986077 396516229 /nfs/dbraw/zinc/51/62/29/396516229.db2.gz MMVGMIMTPHBWJF-MRXNPFEDSA-N 0 0 303.362 0.752 10 30 DCEERN Cc1n[nH]cc1CNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585727784 396651589 /nfs/dbraw/zinc/65/15/89/396651589.db2.gz VAKLOHXOZJNEBE-UHFFFAOYSA-N 0 0 315.308 0.662 10 30 DCEERN COC(=O)[C@H](O)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000533477164 396603633 /nfs/dbraw/zinc/60/36/33/396603633.db2.gz SHVCRSSMCVRMRF-MRXNPFEDSA-N 0 0 316.357 0.873 10 30 DCEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)OC ZINC000558419182 396611452 /nfs/dbraw/zinc/61/14/52/396611452.db2.gz JSYZULGAXLHYBC-SNVBAGLBSA-N 0 0 324.308 0.604 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000584849735 396630353 /nfs/dbraw/zinc/63/03/53/396630353.db2.gz JXUNTJHEMYZUIM-CYBMUJFWSA-N 0 0 309.410 0.975 10 30 DCEERN Cc1cc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)on1 ZINC000586819999 396667897 /nfs/dbraw/zinc/66/78/97/396667897.db2.gz OAPDBMOEGYTYSF-UHFFFAOYSA-N 0 0 316.292 0.926 10 30 DCEERN Cn1c(Oc2ccc3c(c2)CCC3=O)c(C#N)c(=O)n(C)c1=O ZINC000302551010 396720801 /nfs/dbraw/zinc/72/08/01/396720801.db2.gz QGTCUSAEWCVJSR-UHFFFAOYSA-N 0 0 311.297 0.877 10 30 DCEERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCN1S(C)(=O)=O ZINC000596477165 396783271 /nfs/dbraw/zinc/78/32/71/396783271.db2.gz CARIHTOOKAQGSV-SNVBAGLBSA-N 0 0 324.362 0.937 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000617720366 396792281 /nfs/dbraw/zinc/79/22/81/396792281.db2.gz BNJITMQTJGFEEW-IPYPFGDCSA-N 0 0 311.426 0.683 10 30 DCEERN C=CCN(C(=O)c1ccc(=O)n(CCCOC)n1)[C@@H](C)COC ZINC000617584934 396760451 /nfs/dbraw/zinc/76/04/51/396760451.db2.gz OTEWWHDITHTEPZ-ZDUSSCGKSA-N 0 0 323.393 0.943 10 30 DCEERN C=CCn1cc(CN2C(=O)N[C@H](C[C@H]3CCCOC3)C2=O)nn1 ZINC000629478120 396768233 /nfs/dbraw/zinc/76/82/33/396768233.db2.gz SPJKRZPYBCRKRA-DGCLKSJQSA-N 0 0 319.365 0.701 10 30 DCEERN C=CC[C@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000617786879 396824430 /nfs/dbraw/zinc/82/44/30/396824430.db2.gz CJENOEGVEILLMB-LBPRGKRZSA-N 0 0 315.377 0.945 10 30 DCEERN C=CCOCCCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000596816221 396837748 /nfs/dbraw/zinc/83/77/48/396837748.db2.gz LYEHCNJMHGLJSH-ZDUSSCGKSA-N 0 0 313.398 0.325 10 30 DCEERN CN(CC1(O)CCCC1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329401426 396844634 /nfs/dbraw/zinc/84/46/34/396844634.db2.gz YBTMMJMMRHAIAI-NWDGAFQWSA-N 0 0 309.370 0.369 10 30 DCEERN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCC23CC3)C1=O ZINC000629833625 396851898 /nfs/dbraw/zinc/85/18/98/396851898.db2.gz KSJTZEPMIIDGFW-NSHDSACASA-N 0 0 319.361 0.660 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000600372189 396811899 /nfs/dbraw/zinc/81/18/99/396811899.db2.gz PZNWFZXEVDZDSB-WXHSDQCUSA-N 0 0 312.366 0.246 10 30 DCEERN C=C(C)[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)NC)OCC ZINC000634517336 396878790 /nfs/dbraw/zinc/87/87/90/396878790.db2.gz AHTOJYOVKQUOQK-OLZOCXBDSA-N 0 0 313.398 0.514 10 30 DCEERN C=CCCn1cc(CN2CCN(Cc3cn[nH]c3)CC2)nn1 ZINC000625472880 396884468 /nfs/dbraw/zinc/88/44/68/396884468.db2.gz YRJUDUDDHKUWHR-UHFFFAOYSA-N 0 0 301.398 0.895 10 30 DCEERN C=CCCSCCNC(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000597285807 396932836 /nfs/dbraw/zinc/93/28/36/396932836.db2.gz GDHUDHSPZORJNM-GFCCVEGCSA-N 0 0 300.424 0.955 10 30 DCEERN CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000591664530 396969096 /nfs/dbraw/zinc/96/90/96/396969096.db2.gz FGACDRZWNUCDAZ-QGZVFWFLSA-N 0 0 315.373 0.854 10 30 DCEERN C=CCC[C@H](NC(=O)[C@H]1CCN=C2C1=NNN2C)C(=O)OCC ZINC000597731501 397079030 /nfs/dbraw/zinc/07/90/30/397079030.db2.gz CBMPWLIBBYEDOE-QWRGUYRKSA-N 0 0 321.381 0.225 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC000612395216 397043979 /nfs/dbraw/zinc/04/39/79/397043979.db2.gz DETNDRXEGURKIM-STQMWFEESA-N 0 0 310.398 0.377 10 30 DCEERN C=CCCSCCNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000597968958 397142469 /nfs/dbraw/zinc/14/24/69/397142469.db2.gz RSWYZEOWVNBXCE-UHFFFAOYSA-N 0 0 315.420 0.768 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000612838529 397149011 /nfs/dbraw/zinc/14/90/11/397149011.db2.gz YCGKKCROKXQVJM-CABCVRRESA-N 0 0 319.409 0.988 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)NC(C)C)C1=O ZINC000630971973 397149293 /nfs/dbraw/zinc/14/92/93/397149293.db2.gz UCDDZECHHNXMKG-JTQLQIEISA-N 0 0 303.384 0.201 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O ZINC000630976701 397150607 /nfs/dbraw/zinc/15/06/07/397150607.db2.gz FEVCJEMPRJXXGM-SRVKXCTJSA-N 0 0 309.366 0.509 10 30 DCEERN C=CCOCCNC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000626404243 397154424 /nfs/dbraw/zinc/15/44/24/397154424.db2.gz XVSWCSFTKOVURX-UHFFFAOYSA-N 0 0 313.398 0.115 10 30 DCEERN COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619588153 397154593 /nfs/dbraw/zinc/15/45/93/397154593.db2.gz ZGULFHALNPXONC-MNOVXSKESA-N 0 0 305.338 0.655 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)N1CCCOCC1)C(=O)OC ZINC000601502723 397155132 /nfs/dbraw/zinc/15/51/32/397155132.db2.gz XBESTRDGTKZNLG-LLVKDONJSA-N 0 0 306.384 0.051 10 30 DCEERN C[C@H](C(=O)N1CCN2CCOc3cccc1c32)n1cnc(C#N)n1 ZINC000619598431 397155336 /nfs/dbraw/zinc/15/53/36/397155336.db2.gz ZDSLFCITQMSBDH-LLVKDONJSA-N 0 0 324.344 0.956 10 30 DCEERN COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619597383 397155385 /nfs/dbraw/zinc/15/53/85/397155385.db2.gz GLVFZJWNCYGIKA-MNOVXSKESA-N 0 0 323.353 0.136 10 30 DCEERN C[C@@H](C(=O)N1CCN2CCOc3cccc1c32)n1cnc(C#N)n1 ZINC000619598432 397155424 /nfs/dbraw/zinc/15/54/24/397155424.db2.gz ZDSLFCITQMSBDH-NSHDSACASA-N 0 0 324.344 0.956 10 30 DCEERN C[C@H](C(=O)Nc1ccc2c(c1)CC(=O)N2C)n1cnc(C#N)n1 ZINC000619599945 397156596 /nfs/dbraw/zinc/15/65/96/397156596.db2.gz RMHZPDSHAHPXSR-SECBINFHSA-N 0 0 310.317 0.868 10 30 DCEERN COC(=O)CCC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000619614234 397159469 /nfs/dbraw/zinc/15/94/69/397159469.db2.gz QMXFPTHFHZBRKX-LLVKDONJSA-N 0 0 319.365 0.903 10 30 DCEERN C[C@H](C(=O)N(CCO)CCc1ccccc1)n1cnc(C#N)n1 ZINC000619614774 397159604 /nfs/dbraw/zinc/15/96/04/397159604.db2.gz HYJNIENBBIYQGO-CYBMUJFWSA-N 0 0 313.361 0.774 10 30 DCEERN C=CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000626448857 397164738 /nfs/dbraw/zinc/16/47/38/397164738.db2.gz NYMGSLPXVVKZBI-SECBINFHSA-N 0 0 316.354 0.448 10 30 DCEERN CNC(=O)[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CCO1 ZINC000619697654 397175789 /nfs/dbraw/zinc/17/57/89/397175789.db2.gz LAVUYXGDSALRRY-SNVBAGLBSA-N 0 0 314.267 0.923 10 30 DCEERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C)C1=O ZINC000619797711 397193985 /nfs/dbraw/zinc/19/39/85/397193985.db2.gz MHMHMKYNJYILDK-GFCCVEGCSA-N 0 0 307.375 0.766 10 30 DCEERN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1=O ZINC000619843091 397198976 /nfs/dbraw/zinc/19/89/76/397198976.db2.gz DFGQTUHXOSSGPV-LBPRGKRZSA-N 0 0 300.318 0.234 10 30 DCEERN CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O ZINC000619843459 397198980 /nfs/dbraw/zinc/19/89/80/397198980.db2.gz FEUBXTNJDMZBCC-GFCCVEGCSA-N 0 0 318.308 0.373 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)OC ZINC000601783565 397243837 /nfs/dbraw/zinc/24/38/37/397243837.db2.gz CBZOSGLZSKKVEV-SNVBAGLBSA-N 0 0 309.370 0.595 10 30 DCEERN C=C(C)C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)OC ZINC000601787279 397245736 /nfs/dbraw/zinc/24/57/36/397245736.db2.gz LKMMLSZOSBQPNJ-WDEREUQCSA-N 0 0 303.380 0.578 10 30 DCEERN COC[C@](C)(CO)NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000613534907 397275055 /nfs/dbraw/zinc/27/50/55/397275055.db2.gz XOYPNEXJNHINAH-INIZCTEOSA-N 0 0 322.409 0.860 10 30 DCEERN C=CCn1cc(C(=O)N2CCSC[C@@H](C(=O)OC)C2)nn1 ZINC000592807496 397257057 /nfs/dbraw/zinc/25/70/57/397257057.db2.gz BBDOOCFQVFYEDD-JTQLQIEISA-N 0 0 310.379 0.442 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000620304150 397259270 /nfs/dbraw/zinc/25/92/70/397259270.db2.gz RFPADRIKGSFRGP-HZSPNIEDSA-N 0 0 312.435 0.815 10 30 DCEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000620313784 397259523 /nfs/dbraw/zinc/25/95/23/397259523.db2.gz CRVOCTTXJJRESB-PHIMTYICSA-N 0 0 309.391 0.996 10 30 DCEERN C=CCCOCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000621004332 397330746 /nfs/dbraw/zinc/33/07/46/397330746.db2.gz CISAAJGZVJBYBS-UHFFFAOYSA-N 0 0 316.354 0.682 10 30 DCEERN C=C[C@](C)(O)CC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000621004473 397330910 /nfs/dbraw/zinc/33/09/10/397330910.db2.gz GNWXQAMFLHCACY-ZDUSSCGKSA-N 0 0 316.354 0.416 10 30 DCEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)OC)c2)C1 ZINC000599374712 397421577 /nfs/dbraw/zinc/42/15/77/397421577.db2.gz LBDPLBFWNQIAAB-LLVKDONJSA-N 0 0 313.379 0.643 10 30 DCEERN C=CC[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599378852 397423173 /nfs/dbraw/zinc/42/31/73/397423173.db2.gz QPJKQSGDOQKLGK-SECBINFHSA-N 0 0 300.340 0.915 10 30 DCEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN1CCN(C2CC2)C1=O ZINC000614371758 397427966 /nfs/dbraw/zinc/42/79/66/397427966.db2.gz AJEVUYWZWUQDIX-IUODEOHRSA-N 0 0 307.394 0.984 10 30 DCEERN C=CCOc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458143434 397428479 /nfs/dbraw/zinc/42/84/79/397428479.db2.gz PLPIDDAAOVFQES-CYBMUJFWSA-N 0 0 302.334 0.634 10 30 DCEERN C=C(C)CS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599455199 397446166 /nfs/dbraw/zinc/44/61/66/397446166.db2.gz BHVXKPFUFLBKKC-NWDGAFQWSA-N 0 0 305.396 0.840 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000425471190 397405564 /nfs/dbraw/zinc/40/55/64/397405564.db2.gz HNPODNGGRNEFGV-ILXRZTDVSA-N 0 0 311.426 0.845 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](COCC)C(C)C ZINC000425887805 397407756 /nfs/dbraw/zinc/40/77/56/397407756.db2.gz BQENRTDIKIOJDV-MJBXVCDLSA-N 0 0 312.410 0.871 10 30 DCEERN C=CCN(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000492419435 397520285 /nfs/dbraw/zinc/52/02/85/397520285.db2.gz VFAGENMVFAZAQS-UHFFFAOYSA-N 0 0 301.389 0.823 10 30 DCEERN C=CC[C@@H](CO)NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000579731083 397591408 /nfs/dbraw/zinc/59/14/08/397591408.db2.gz GLBCMFCEHFZJAZ-YOEHRIQHSA-N 0 0 302.374 0.888 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000579826537 397593911 /nfs/dbraw/zinc/59/39/11/397593911.db2.gz DDPXGISDBTXMIO-STQMWFEESA-N 0 0 311.382 0.078 10 30 DCEERN C=CCCCCCNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000579972146 397601860 /nfs/dbraw/zinc/60/18/60/397601860.db2.gz ONKJNYSODMWMJP-UHFFFAOYSA-N 0 0 307.394 0.682 10 30 DCEERN CN(CC1CC1)C(=O)CN1CCN(c2ncccc2C#N)CC1 ZINC000608779634 397755482 /nfs/dbraw/zinc/75/54/82/397755482.db2.gz DWBXPFMOWAHDHW-UHFFFAOYSA-N 0 0 313.405 0.944 10 30 DCEERN CCOC(=O)CN1CCCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081729435 158085964 /nfs/dbraw/zinc/08/59/64/158085964.db2.gz RCBMWOBTFDIDPM-UHFFFAOYSA-N 0 0 318.377 0.608 10 30 DCEERN C[C@H](CCNS(=O)(=O)c1ccc(C#N)cc1)[S@](C)=O ZINC000124184913 158239780 /nfs/dbraw/zinc/23/97/80/158239780.db2.gz VXVQHIUUARGQHT-MLCYQJTMSA-N 0 0 300.405 0.994 10 30 DCEERN COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C#N)cn1C)CC2 ZINC000135156479 158334326 /nfs/dbraw/zinc/33/43/26/158334326.db2.gz LYIQYPCDVJWAAG-LLVKDONJSA-N 0 0 314.349 0.379 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)o1 ZINC000408114058 160038474 /nfs/dbraw/zinc/03/84/74/160038474.db2.gz VTKFDZRYEPGQFT-VIFPVBQESA-N 0 0 307.335 0.838 10 30 DCEERN Cc1ncc(S(=O)(=O)N2CCCNC(=O)[C@@H]2C)cc1C#N ZINC000408362556 160092207 /nfs/dbraw/zinc/09/22/07/160092207.db2.gz PFALTOHKWVGLGL-JTQLQIEISA-N 0 0 308.363 0.161 10 30 DCEERN C[C@@H](CCNS(=O)(=O)c1ccccc1C#N)[S@@](C)=O ZINC000127127025 286975930 /nfs/dbraw/zinc/97/59/30/286975930.db2.gz AGXHWMIYTJHTPA-YPMLDQLKSA-N 0 0 300.405 0.994 10 30 DCEERN CC[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1C[C@@H](C)O ZINC000174602691 287126456 /nfs/dbraw/zinc/12/64/56/287126456.db2.gz DPSRHZMQZWQDFL-ZIAGYGMSSA-N 0 0 309.410 0.610 10 30 DCEERN C#CCNC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000045132689 415244252 /nfs/dbraw/zinc/24/42/52/415244252.db2.gz PXGIGQLBEIJZHS-NSHDSACASA-N 0 0 302.330 0.806 10 30 DCEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(F)F)CC1 ZINC000057912326 415335841 /nfs/dbraw/zinc/33/58/41/415335841.db2.gz FEVKBOLYDDNOMF-SNVBAGLBSA-N 0 0 304.341 0.269 10 30 DCEERN CS(=O)(=O)N1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352822716 415338449 /nfs/dbraw/zinc/33/84/49/415338449.db2.gz KZSNGFJKOOBQLA-SECBINFHSA-N 0 0 300.409 0.528 10 30 DCEERN C=C(C)COCCNC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000353760671 415647479 /nfs/dbraw/zinc/64/74/79/415647479.db2.gz RJJFWGDXIWJXBN-UHFFFAOYSA-N 0 0 310.354 1.311 10 30 DCEERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108830986 415683301 /nfs/dbraw/zinc/68/33/01/415683301.db2.gz SHCKSKTVRAOHBM-WPRPVWTQSA-N 0 0 313.404 0.833 10 30 DCEERN C=C[C@@](C)(O)CC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000354392867 415795435 /nfs/dbraw/zinc/79/54/35/415795435.db2.gz JPQJNQOCXHZWPG-CQSZACIVSA-N 0 0 302.440 0.273 10 30 DCEERN N#CCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000126788325 415880378 /nfs/dbraw/zinc/88/03/78/415880378.db2.gz CJJVZGMYUKPKLY-UHFFFAOYSA-N 0 0 310.273 0.342 10 30 DCEERN N#Cc1cccc(S(=O)(=O)CCn2cnc([N+](=O)[O-])n2)c1 ZINC000130690215 415921190 /nfs/dbraw/zinc/92/11/90/415921190.db2.gz PXKZGTFXFPCWCX-UHFFFAOYSA-N 0 0 307.291 0.532 10 30 DCEERN CC#CCNC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000292865776 415852432 /nfs/dbraw/zinc/85/24/32/415852432.db2.gz HEHXAZLZGLUXPL-UHFFFAOYSA-N 0 0 306.341 0.880 10 30 DCEERN C=CCN(C(=O)N1CC[C@H](COC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000337951779 416025587 /nfs/dbraw/zinc/02/55/87/416025587.db2.gz KCMCGSOHRIJFIQ-STQMWFEESA-N 0 0 316.423 0.750 10 30 DCEERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000170657534 416028740 /nfs/dbraw/zinc/02/87/40/416028740.db2.gz NTRKLWNPOLZIOH-GFCCVEGCSA-N 0 0 308.363 0.195 10 30 DCEERN CCCNC(=O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000174650292 416083519 /nfs/dbraw/zinc/08/35/19/416083519.db2.gz XKCLEQZOSGSQHL-UHFFFAOYSA-N 0 0 304.350 0.762 10 30 DCEERN N#Cc1ccc(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000301931810 416097762 /nfs/dbraw/zinc/09/77/62/416097762.db2.gz OYLKHWAIRQSKRP-OCCSQVGLSA-N 0 0 315.289 0.763 10 30 DCEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@]1(O)CCOC1)CCC2 ZINC000328870605 416136036 /nfs/dbraw/zinc/13/60/36/416136036.db2.gz YDAMVQJLHGFMSS-WFASDCNBSA-N 0 0 308.382 0.724 10 30 DCEERN CCC(=O)N1CC[C@@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329081318 416147760 /nfs/dbraw/zinc/14/77/60/416147760.db2.gz RQFRAHAYBPODGC-OLZOCXBDSA-N 0 0 320.397 0.667 10 30 DCEERN CO[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000329073314 416148594 /nfs/dbraw/zinc/14/85/94/416148594.db2.gz OTVDESAGYLBZIY-WHOHXGKFSA-N 0 0 309.370 0.535 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCCc1nc(=O)[nH][nH]1 ZINC000174580658 416081229 /nfs/dbraw/zinc/08/12/29/416081229.db2.gz YSZJNPVZOWGMRJ-SNVBAGLBSA-N 0 0 315.333 0.486 10 30 DCEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](CO)C1 ZINC000329737695 416187304 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307.375 0.833 10 30 DCEERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)CCC#N ZINC000088786930 185265779 /nfs/dbraw/zinc/26/57/79/185265779.db2.gz GQTUXICEIXWTDP-SNVBAGLBSA-N 0 0 312.399 0.355 10 30 DCEERN CN1CCO[C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000170923782 529783561 /nfs/dbraw/zinc/78/35/61/529783561.db2.gz NUNBWLYLAHZOMY-HNNXBMFYSA-N 0 0 318.377 0.719 10 30 DCEERN CN(C)c1ncc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000328929827 282321434 /nfs/dbraw/zinc/32/14/34/282321434.db2.gz AKPQMJGFBXEPBD-OLZOCXBDSA-N 0 0 320.397 0.493 10 30 DCEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000329616359 291001943 /nfs/dbraw/zinc/00/19/43/291001943.db2.gz FOZHUXCGMISTSE-IRCOFANPSA-N 0 0 302.396 0.587 10 30 DCEERN CNC(=O)c1ccc(N2CCN(c3ccc(C#N)cn3)CC2)nn1 ZINC000074742459 191353497 /nfs/dbraw/zinc/35/34/97/191353497.db2.gz ICKNLYWDNNXABH-UHFFFAOYSA-N 0 0 323.360 0.429 10 30 DCEERN N#Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000165953727 283185218 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C=CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NCC)cc1 ZINC000273454217 395922551 /nfs/dbraw/zinc/92/25/51/395922551.db2.gz GUJYDWXFMGNPAF-GFCCVEGCSA-N 0 0 312.391 0.652 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000273512623 395926971 /nfs/dbraw/zinc/92/69/71/395926971.db2.gz MFMABDDJMJRXPL-SECBINFHSA-N 0 0 303.336 0.590 10 30 DCEERN C=CC[C@H](CO)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000273528142 395927441 /nfs/dbraw/zinc/92/74/41/395927441.db2.gz VVZDOXKJTVBTLC-HWWQOWPSSA-N 0 0 323.393 0.540 10 30 DCEERN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1C ZINC000247091554 395966602 /nfs/dbraw/zinc/96/66/02/395966602.db2.gz ROIVEOXVPMQESJ-GBIKHYSHSA-N 0 0 307.375 0.750 10 30 DCEERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)C#N)ncn1 ZINC000182693168 396252517 /nfs/dbraw/zinc/25/25/17/396252517.db2.gz XNYCGYVRFBUHQA-VXGBXAGGSA-N 0 0 317.397 0.946 10 30 DCEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188746811 396385542 /nfs/dbraw/zinc/38/55/42/396385542.db2.gz 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/nfs/dbraw/zinc/52/81/12/396528112.db2.gz CRBAYRHYANHGIK-UHFFFAOYSA-N 0 0 301.324 0.861 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000595166264 396559349 /nfs/dbraw/zinc/55/93/49/396559349.db2.gz WYMVGQUOKUSIHK-LLVKDONJSA-N 0 0 313.423 0.101 10 30 DCEERN COCCOCCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585732106 396651370 /nfs/dbraw/zinc/65/13/70/396651370.db2.gz JIHBDJRUXRVYEN-UHFFFAOYSA-N 0 0 323.324 0.093 10 30 DCEERN Cc1ocnc1CNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860403 396669403 /nfs/dbraw/zinc/66/94/03/396669403.db2.gz DOAFTEKQECUPFO-UHFFFAOYSA-N 0 0 316.292 0.926 10 30 DCEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CCC#N)CCOC ZINC000589251243 396710360 /nfs/dbraw/zinc/71/03/60/396710360.db2.gz POMGKWBCPJVAFB-ZDUSSCGKSA-N 0 0 321.381 0.918 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000617720365 396792568 /nfs/dbraw/zinc/79/25/68/396792568.db2.gz BNJITMQTJGFEEW-GUTXKFCHSA-N 0 0 311.426 0.683 10 30 DCEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000633895229 396737061 /nfs/dbraw/zinc/73/70/61/396737061.db2.gz DKNXACLBJFGSHW-JQWIXIFHSA-N 0 0 302.396 0.103 10 30 DCEERN CC(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)[C@H](C)C1 ZINC000610788233 396765113 /nfs/dbraw/zinc/76/51/13/396765113.db2.gz BAWGKLWRKNWWFA-GFCCVEGCSA-N 0 0 307.398 0.237 10 30 DCEERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C#N)c(C)c2)C1 ZINC000314057895 396776796 /nfs/dbraw/zinc/77/67/96/396776796.db2.gz VEELTDSMYSLKMR-STQMWFEESA-N 0 0 310.375 0.637 10 30 DCEERN C=CCSCCNC(=O)c1ccc(=O)n(CCCOC)n1 ZINC000596974817 396868166 /nfs/dbraw/zinc/86/81/66/396868166.db2.gz XFJLCJIJPCGKAF-UHFFFAOYSA-N 0 0 311.407 0.929 10 30 DCEERN CN(C[C@H]1CCc2nccn2C1)C([O-])=[NH+][C@H]1CCN(C)C1=O ZINC000328620599 396824987 /nfs/dbraw/zinc/82/49/87/396824987.db2.gz HCCWZCYLZBXHKB-NEPJUHHUSA-N 0 0 305.382 0.522 10 30 DCEERN C=CCSCCNC(=O)CC1(n2cnnn2)CCOCC1 ZINC000596972830 396868334 /nfs/dbraw/zinc/86/83/34/396868334.db2.gz KXUCUFBNVXTFAJ-UHFFFAOYSA-N 0 0 311.411 0.604 10 30 DCEERN N#CCN1CCC(NC(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000611395993 396861681 /nfs/dbraw/zinc/86/16/81/396861681.db2.gz ULUCKCSHBVUIQC-ZDUSSCGKSA-N 0 0 312.439 0.484 10 30 DCEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000320151069 396812709 /nfs/dbraw/zinc/81/27/09/396812709.db2.gz CWJGPRXIKUEQLA-LLVKDONJSA-N 0 0 310.375 0.421 10 30 DCEERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C)(C#N)CC1 ZINC000611553485 396884890 /nfs/dbraw/zinc/88/48/90/396884890.db2.gz STLDSQGKNHRGMQ-LBPRGKRZSA-N 0 0 306.410 0.738 10 30 DCEERN C=CCOCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000611546521 396885129 /nfs/dbraw/zinc/88/51/29/396885129.db2.gz LKSYHCNDPHYGHA-UHFFFAOYSA-N 0 0 315.377 0.987 10 30 DCEERN CC1(C#N)CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000611561302 396886586 /nfs/dbraw/zinc/88/65/86/396886586.db2.gz SWZMTORARLJNJH-GFCCVEGCSA-N 0 0 313.423 0.953 10 30 DCEERN C=CCCSCCNC(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000597232601 396919384 /nfs/dbraw/zinc/91/93/84/396919384.db2.gz WIOQTTKMGKQWQB-LLVKDONJSA-N 0 0 311.411 0.208 10 30 DCEERN C=CCn1c(-c2cc[nH]n2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000597284261 396931461 /nfs/dbraw/zinc/93/14/61/396931461.db2.gz PYZFFKXDMDYJAP-JTQLQIEISA-N 0 0 302.338 0.854 10 30 DCEERN C=CCCSCCNC(=O)C(=O)NCCc1cn(C)cn1 ZINC000597342891 396946783 /nfs/dbraw/zinc/94/67/83/396946783.db2.gz HWISHBZGTIODOC-UHFFFAOYSA-N 0 0 310.423 0.504 10 30 DCEERN Cn1cc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)nn1 ZINC000611934724 396951844 /nfs/dbraw/zinc/95/18/44/396951844.db2.gz FFYZXBODTQXIBR-UHFFFAOYSA-N 0 0 311.754 0.819 10 30 DCEERN CN(Cc1ccc(C#N)cc1)C(=O)CN1CCCC[C@@H](O)C1=O ZINC000591698514 396981128 /nfs/dbraw/zinc/98/11/28/396981128.db2.gz BNNHUDVHTROXDN-OAHLLOKOSA-N 0 0 315.373 0.890 10 30 DCEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCCC1=O ZINC000612033798 396985415 /nfs/dbraw/zinc/98/54/15/396985415.db2.gz OADSUJWUNJZFNJ-KBPBESRZSA-N 0 0 321.421 0.976 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)CO ZINC000612004018 396978961 /nfs/dbraw/zinc/97/89/61/396978961.db2.gz QDCHTZALLMJJMO-AJNGGQMLSA-N 0 0 324.421 0.703 10 30 DCEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000612002907 396979205 /nfs/dbraw/zinc/97/92/05/396979205.db2.gz CVQRUNAQAQUINI-XUXIUFHCSA-N 0 0 310.394 0.768 10 30 DCEERN Cn1cc(OCC(=O)Nc2nc3n(c2C#N)CCS3)cn1 ZINC000572685713 397083024 /nfs/dbraw/zinc/08/30/24/397083024.db2.gz WQXWFICDUCHPFR-UHFFFAOYSA-N 0 0 304.335 0.611 10 30 DCEERN C=CCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000612560057 397096242 /nfs/dbraw/zinc/09/62/42/397096242.db2.gz OWZOQGFEZVSXHX-ZIAGYGMSSA-N 0 0 321.421 0.390 10 30 DCEERN C=CCOCCCNC(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000612413531 397047452 /nfs/dbraw/zinc/04/74/52/397047452.db2.gz BVWYRUDFOPPUPM-MRXNPFEDSA-N 0 0 310.394 0.723 10 30 DCEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1(C(=O)OC)CC1 ZINC000601410227 397107462 /nfs/dbraw/zinc/10/74/62/397107462.db2.gz CAHFXVAHGXMODS-RYUDHWBXSA-N 0 0 317.407 0.840 10 30 DCEERN C=C[C@@H](N[C@@H]1CCCN(Cc2nccn2C)C1=O)C(=O)OC ZINC000619702942 397177504 /nfs/dbraw/zinc/17/75/04/397177504.db2.gz CAZUJMBJWZIIDE-VXGBXAGGSA-N 0 0 306.366 0.228 10 30 DCEERN CC#CC[C@H](CO)NC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000592258948 397138879 /nfs/dbraw/zinc/13/88/79/397138879.db2.gz YXLUZPGLUJWQSC-SNVBAGLBSA-N 0 0 308.338 0.493 10 30 DCEERN C=CCCCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)OC ZINC000601486422 397146883 /nfs/dbraw/zinc/14/68/83/397146883.db2.gz DHSLRWJWOUQBIH-YPMHNXCESA-N 0 0 305.396 0.935 10 30 DCEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[C@@H](C)S(=O)(=O)C2)C1=O ZINC000630986445 397152781 /nfs/dbraw/zinc/15/27/81/397152781.db2.gz JFAKVGABQNYQDN-VWYCJHECSA-N 0 0 300.380 0.839 10 30 DCEERN C[C@@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)n1cnc(C#N)n1 ZINC000619590444 397154197 /nfs/dbraw/zinc/15/41/97/397154197.db2.gz NTTNUGSRJSXSJK-CMPLNLGQSA-N 0 0 315.337 0.725 10 30 DCEERN COC(=O)C[C@H]1CCCCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619588155 397154236 /nfs/dbraw/zinc/15/42/36/397154236.db2.gz ZGULFHALNPXONC-WDEREUQCSA-N 0 0 305.338 0.655 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)OC ZINC000601500953 397154850 /nfs/dbraw/zinc/15/48/50/397154850.db2.gz DZRPQTMJLVQUAG-NEPJUHHUSA-N 0 0 305.396 0.839 10 30 DCEERN C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(CC)C1)C(=O)OC ZINC000601501209 397155044 /nfs/dbraw/zinc/15/50/44/397155044.db2.gz JZXQVBGTSBJVMK-GHMZBOCLSA-N 0 0 318.395 0.034 10 30 DCEERN C=C(C)C[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)OC ZINC000601502909 397155999 /nfs/dbraw/zinc/15/59/99/397155999.db2.gz WDTBDIUJQPLLLH-NSHDSACASA-N 0 0 315.395 0.823 10 30 DCEERN CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000619611872 397158253 /nfs/dbraw/zinc/15/82/53/397158253.db2.gz USTLBKCQARDUST-OLZOCXBDSA-N 0 0 315.381 0.403 10 30 DCEERN C[C@H](C(=O)NCCc1c[nH]c2ncccc12)n1cnc(C#N)n1 ZINC000619614724 397159243 /nfs/dbraw/zinc/15/92/43/397159243.db2.gz TZCOGEFJNQXIJB-SNVBAGLBSA-N 0 0 309.333 0.946 10 30 DCEERN C=CCOC[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)OC ZINC000601541141 397171889 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C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(C)C)C2CC2)C1=O ZINC000620038855 397226046 /nfs/dbraw/zinc/22/60/46/397226046.db2.gz PGRXGTSFOODMCT-LBPRGKRZSA-N 0 0 307.350 0.514 10 30 DCEERN C=C(C)C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)OC ZINC000601777625 397242761 /nfs/dbraw/zinc/24/27/61/397242761.db2.gz IJRNEULOCLGMGT-LLVKDONJSA-N 0 0 318.333 0.120 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CS(=O)(=O)CC(C)C)C(=O)OC ZINC000601779613 397243054 /nfs/dbraw/zinc/24/30/54/397243054.db2.gz UUWPMKJVYYAPMX-LLVKDONJSA-N 0 0 305.396 0.681 10 30 DCEERN C=C(C)C[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)OC ZINC000601777741 397243096 /nfs/dbraw/zinc/24/30/96/397243096.db2.gz JURMCPMGYSFCIP-LLVKDONJSA-N 0 0 307.350 0.844 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)OC ZINC000601787597 397245002 /nfs/dbraw/zinc/24/50/02/397245002.db2.gz ZRICBPGJEMVRLH-LLVKDONJSA-N 0 0 318.395 0.036 10 30 DCEERN C=C(C)C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)OC ZINC000601787675 397245782 /nfs/dbraw/zinc/24/57/82/397245782.db2.gz 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