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C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C ZINC000176009720 207183047 /nfs/dbraw/zinc/18/30/47/207183047.db2.gz OMFPNRZBMOXHAF-VXGBXAGGSA-N 0 0 348.378 0.549 10 30 ECEERN O=C(CN1CC(=O)NC1=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329983786 254624405 /nfs/dbraw/zinc/62/44/05/254624405.db2.gz PXAKAZPLXTWUOG-UWVGGRQHSA-N 0 0 336.327 0.742 10 30 ECEERN N#Cc1cnc(N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)cn1 ZINC000328620224 258035153 /nfs/dbraw/zinc/03/51/53/258035153.db2.gz GVJRGMYAYGHTMS-LLVKDONJSA-N 0 0 325.332 0.965 10 30 ECEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188921248 165004433 /nfs/dbraw/zinc/00/44/33/165004433.db2.gz JMRZLESNOFFIBZ-GFCCVEGCSA-N 0 0 330.388 0.533 10 30 ECEERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000189459692 437601554 /nfs/dbraw/zinc/60/15/54/437601554.db2.gz UQMSATZJDXYNGD-OAHLLOKOSA-N 0 0 344.415 0.720 10 30 ECEERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000329506672 289044326 /nfs/dbraw/zinc/04/43/26/289044326.db2.gz AQCXVZFZNIVVAX-RBSFLKMASA-N 0 0 333.436 0.907 10 30 ECEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077540160 436243516 /nfs/dbraw/zinc/24/35/16/436243516.db2.gz BIYYWVZKAUPIGD-CYBMUJFWSA-N 0 0 332.335 0.763 10 30 ECEERN C[C@@](C#N)(NC(=O)CN1CCCN(c2cccnn2)CC1)C1CC1 ZINC000105798676 436577347 /nfs/dbraw/zinc/57/73/47/436577347.db2.gz HDGSHFDSTFJMGJ-KRWDZBQOSA-N 0 0 328.420 0.797 10 30 ECEERN C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000108929624 436621674 /nfs/dbraw/zinc/62/16/74/436621674.db2.gz CLHCTGPQUNPMGN-CYBMUJFWSA-N 0 0 349.456 0.856 10 30 ECEERN Cc1cnn(C[C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)c1 ZINC000105892854 436584196 /nfs/dbraw/zinc/58/41/96/436584196.db2.gz RYAHJNMNEQODCI-INIZCTEOSA-N 0 0 344.419 0.548 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892382 436585484 /nfs/dbraw/zinc/58/54/84/436585484.db2.gz RLWRKAWMUXXTTH-UONOGXRCSA-N 0 0 335.408 0.293 10 30 ECEERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000170924404 436961956 /nfs/dbraw/zinc/96/19/56/436961956.db2.gz RGPZDBXNJJHRQY-OAHLLOKOSA-N 0 0 344.419 0.115 10 30 ECEERN C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000170924488 436962922 /nfs/dbraw/zinc/96/29/22/436962922.db2.gz NZDDISDVWNJARP-OAHLLOKOSA-N 0 0 330.388 0.236 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177650654 437193514 /nfs/dbraw/zinc/19/35/14/437193514.db2.gz AIYIYFIAKUKLNK-MRXNPFEDSA-N 0 0 338.367 0.731 10 30 ECEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000186343378 437471426 /nfs/dbraw/zinc/47/14/26/437471426.db2.gz LHGFADCIJAUDIG-OLZOCXBDSA-N 0 0 335.408 0.460 10 30 ECEERN C=C(C)CS(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000192024107 437661096 /nfs/dbraw/zinc/66/10/96/437661096.db2.gz VFPRTRVUGFJACZ-LBPRGKRZSA-N 0 0 326.422 0.719 10 30 ECEERN CN1C(=O)CO[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccccc1 ZINC000373049638 438125641 /nfs/dbraw/zinc/12/56/41/438125641.db2.gz PMMFHKARFLYONF-KBMXLJTQSA-N 0 0 329.356 0.336 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1NC(C)=O ZINC000090750663 518997608 /nfs/dbraw/zinc/99/76/08/518997608.db2.gz RZNDVHTWHYQMRO-BLONOQDTSA-N 0 0 349.383 0.894 10 30 ECEERN N#Cc1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886077543 590790593 /nfs/dbraw/zinc/79/05/93/590790593.db2.gz HOMWNSGFQKXGEU-KRWDZBQOSA-N 0 0 346.362 0.100 10 30 ECEERN N#Cc1ccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886074565 590790981 /nfs/dbraw/zinc/79/09/81/590790981.db2.gz CVBNYTYRUZLIDP-QGZVFWFLSA-N 0 0 332.379 0.459 10 30 ECEERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000166824518 529901717 /nfs/dbraw/zinc/90/17/17/529901717.db2.gz XWTSLBCGIOWIKF-LBPRGKRZSA-N 0 0 334.763 0.887 10 30 ECEERN N#Cc1cccc(CS(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111359818 220145092 /nfs/dbraw/zinc/14/50/92/220145092.db2.gz FAOVUGORESQBML-MRXNPFEDSA-N 0 0 346.412 0.986 10 30 ECEERN C=C(C)COCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000151463318 254499878 /nfs/dbraw/zinc/49/98/78/254499878.db2.gz IDDVORAVQJNCBN-UHFFFAOYSA-N 0 0 345.407 0.549 10 30 ECEERN CCCN1C(=O)[C@@H]2[C@H](C(=O)OC)N[C@@H](c3cccc(C#N)c3)[C@H]2C1=O ZINC000504137786 267017630 /nfs/dbraw/zinc/01/76/30/267017630.db2.gz DKELJNCSNPJSPG-ZQDZILKHSA-N 0 0 341.367 0.755 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)c1 ZINC000189464270 437601270 /nfs/dbraw/zinc/60/12/70/437601270.db2.gz TZRVXXWCWVUCIW-INIZCTEOSA-N 0 0 329.400 0.522 10 30 ECEERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)CCCC#N)CCO2)n1 ZINC000111344821 436630041 /nfs/dbraw/zinc/63/00/41/436630041.db2.gz FVCXGFJUGQSLLW-AWEZNQCLSA-N 0 0 326.422 0.834 10 30 ECEERN C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CC1 ZINC000112069133 436632565 /nfs/dbraw/zinc/63/25/65/436632565.db2.gz ITOFGSJZLFHKSI-QGZVFWFLSA-N 0 0 330.432 0.764 10 30 ECEERN COc1ccccc1-n1nc(C#N)c(N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000256046319 436855532 /nfs/dbraw/zinc/85/55/32/436855532.db2.gz FGCPUFUCBLMWJD-LLVKDONJSA-N 0 0 347.400 0.771 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000177605174 437192479 /nfs/dbraw/zinc/19/24/79/437192479.db2.gz NKLZQMUIGLEYOO-UONOGXRCSA-N 0 0 329.400 0.520 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177606601 437192770 /nfs/dbraw/zinc/19/27/70/437192770.db2.gz QYIBLDBIYMUXAB-ZIAGYGMSSA-N 0 0 344.415 0.719 10 30 ECEERN C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000178164833 437207344 /nfs/dbraw/zinc/20/73/44/437207344.db2.gz MCWXSOPVNAYJDA-UHFFFAOYSA-N 0 0 329.426 0.593 10 30 ECEERN Cc1nnc(CN(C)[C@@H]2CN(C(=O)Nc3cccc(C)n3)C[C@H]2O)o1 ZINC000328628436 437241815 /nfs/dbraw/zinc/24/18/15/437241815.db2.gz HGHWGFZWRWFEOB-CHWSQXEVSA-N 0 0 346.391 0.804 10 30 ECEERN CCN1CCN(C(=O)NCc2ccnn2C)C[C@H]1c1nccn1C ZINC000328634849 437245099 /nfs/dbraw/zinc/24/50/99/437245099.db2.gz UIFCGIMKTJZDSH-AWEZNQCLSA-N 0 0 331.424 0.946 10 30 ECEERN CCC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000185375740 437436970 /nfs/dbraw/zinc/43/69/70/437436970.db2.gz LDRVMRMUNJGUIH-NSHDSACASA-N 0 0 336.392 0.878 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190746002 437636397 /nfs/dbraw/zinc/63/63/97/437636397.db2.gz DSPSFRUNASYWSQ-GXTWGEPZSA-N 0 0 335.408 0.677 10 30 ECEERN O=C(CCCC[C@@H]1CS[C@@H]2NC(=O)N[C@H]12)ON1C(=O)CCC1=O ZINC000575332763 438745429 /nfs/dbraw/zinc/74/54/29/438745429.db2.gz WKILCQNLTZXUFZ-WQHBLYJGSA-N 0 0 341.389 0.525 10 30 ECEERN Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(N)=S)CCC2 ZINC000040824512 213389989 /nfs/dbraw/zinc/38/99/89/213389989.db2.gz CHLLINUGVIBJGG-VXLYETTFSA-N 0 0 344.400 0.951 10 30 ECEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000374416124 285049216 /nfs/dbraw/zinc/04/92/16/285049216.db2.gz PMFPQSQXVHPMLQ-KFWWJZLASA-N 0 0 344.481 0.365 10 30 ECEERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000328599335 254589484 /nfs/dbraw/zinc/58/94/84/254589484.db2.gz BXZALDJVXLDSSG-QLFBSQMISA-N 0 0 336.436 0.902 10 30 ECEERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)[nH]1 ZINC000123109055 222217744 /nfs/dbraw/zinc/21/77/44/222217744.db2.gz RIROGKOQBCKPJV-LBPRGKRZSA-N 0 0 333.373 0.747 10 30 ECEERN N#Cc1nc(N2CCN(CC(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000302728766 268323615 /nfs/dbraw/zinc/32/36/15/268323615.db2.gz PHTKICSRWCEGGG-UHFFFAOYSA-N 0 0 330.348 0.262 10 30 ECEERN C=CCN1C(=O)[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCN2C1=O ZINC000005434093 435987835 /nfs/dbraw/zinc/98/78/35/435987835.db2.gz JPYRRWDBFOWPEF-LBPRGKRZSA-N 0 0 343.339 0.690 10 30 ECEERN C=CCNC(=O)[C@@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000030591878 436220344 /nfs/dbraw/zinc/22/03/44/436220344.db2.gz FTNLJDYTMPHSCY-CYBMUJFWSA-N 0 0 329.408 0.245 10 30 ECEERN CCN(CCC#N)C(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864723 436582370 /nfs/dbraw/zinc/58/23/70/436582370.db2.gz HCCOGQVRQATBDN-CYBMUJFWSA-N 0 0 334.424 0.819 10 30 ECEERN C=CCNC(=O)[C@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000105868714 436583546 /nfs/dbraw/zinc/58/35/46/436583546.db2.gz RPTRJOASGWTXSR-AWEZNQCLSA-N 0 0 333.436 0.996 10 30 ECEERN C#CCNC(=O)[C@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000105868746 436584027 /nfs/dbraw/zinc/58/40/27/436584027.db2.gz HIIJRTFCIDWOMR-AWEZNQCLSA-N 0 0 331.420 0.444 10 30 ECEERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)CC2 ZINC000114874155 436644820 /nfs/dbraw/zinc/64/48/20/436644820.db2.gz AUOYZVNKQPUWJF-NSHDSACASA-N 0 0 332.389 0.400 10 30 ECEERN C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)N1CCOCC1 ZINC000171111077 436968540 /nfs/dbraw/zinc/96/85/40/436968540.db2.gz WZVUZFOMJOIYBA-CYBMUJFWSA-N 0 0 330.388 0.125 10 30 ECEERN Cc1nnc(CN(C)[C@H]2CN(C(=O)Nc3cccc(C)n3)C[C@H]2O)o1 ZINC000328628437 437242260 /nfs/dbraw/zinc/24/22/60/437242260.db2.gz HGHWGFZWRWFEOB-QWHCGFSZSA-N 0 0 346.391 0.804 10 30 ECEERN C=CCNC(=O)CNC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000181233253 437315078 /nfs/dbraw/zinc/31/50/78/437315078.db2.gz WQAPTZNLHNBYMZ-UHFFFAOYSA-N 0 0 348.451 0.423 10 30 ECEERN C[C@H](C#N)CNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000182869208 437366080 /nfs/dbraw/zinc/36/60/80/437366080.db2.gz QVPLJDNSGIXWCO-HZPDHXFCSA-N 0 0 346.431 0.913 10 30 ECEERN C#CCNC(=O)c1ccc(N2CCO[C@](C)(c3cnn(C)c3)C2)nc1 ZINC000268381705 437407703 /nfs/dbraw/zinc/40/77/03/437407703.db2.gz JSYUVULJOZXBGI-SFHVURJKSA-N 0 0 339.399 0.930 10 30 ECEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H](O)C[C@@H]1CO ZINC000184723464 437411813 /nfs/dbraw/zinc/41/18/13/437411813.db2.gz DCVFIMVTNPHHBY-GMTAPVOTSA-N 0 0 335.429 0.863 10 30 ECEERN CCO[C@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C12CCOCC2 ZINC000184103888 437399708 /nfs/dbraw/zinc/39/97/08/437399708.db2.gz HPBWBDMUTQUPLR-STQMWFEESA-N 0 0 348.403 0.342 10 30 ECEERN CCn1cc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)cn1 ZINC000190780412 437638001 /nfs/dbraw/zinc/63/80/01/437638001.db2.gz CXXDOPZHRLJZDS-INIZCTEOSA-N 0 0 344.419 0.932 10 30 ECEERN C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1nc(N)nc2nc[nH]c21 ZINC000584660193 439607639 /nfs/dbraw/zinc/60/76/39/439607639.db2.gz PFCNCRICRKEIDB-ZJUUUORDSA-N 0 0 328.380 0.522 10 30 ECEERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)CC2 ZINC000181725755 528481186 /nfs/dbraw/zinc/48/11/86/528481186.db2.gz QVDPBKINIVDWIH-GFCCVEGCSA-N 0 0 346.416 0.961 10 30 ECEERN COc1ccc(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc1C#N ZINC000886071984 590790116 /nfs/dbraw/zinc/79/01/16/590790116.db2.gz UCEFLUFDZAGDAL-SFHVURJKSA-N 0 0 345.399 0.928 10 30 ECEERN N#Cc1cc(Cl)ccc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886093333 590794392 /nfs/dbraw/zinc/79/43/92/590794392.db2.gz AZSJNYXULJDQFL-KRWDZBQOSA-N 0 0 348.834 0.974 10 30 ECEERN C=CCn1cnc2oc(C)c(C(=O)N3CCN(C(C)=O)CC3)c2c1=O ZINC000222769190 609704203 /nfs/dbraw/zinc/70/42/03/609704203.db2.gz CTFFCRPCLLAPIE-UHFFFAOYSA-N 0 0 344.371 0.788 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@H]1C ZINC000174896309 231338087 /nfs/dbraw/zinc/33/80/87/231338087.db2.gz UXBGLNPXBIWJAL-CQSZACIVSA-N 0 0 344.415 0.984 10 30 ECEERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000166824629 529923054 /nfs/dbraw/zinc/92/30/54/529923054.db2.gz XWTSLBCGIOWIKF-GFCCVEGCSA-N 0 0 334.763 0.887 10 30 ECEERN CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000102936836 219242349 /nfs/dbraw/zinc/24/23/49/219242349.db2.gz HDRVACSOOFQBSZ-GDBMZVCRSA-N 0 0 340.383 0.791 10 30 ECEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1N1CCOCC1 ZINC000246489500 165136163 /nfs/dbraw/zinc/13/61/63/165136163.db2.gz MCHHVCWTLJZOJS-IUODEOHRSA-N 0 0 336.417 0.294 10 30 ECEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H](O)C[C@@H]1CO ZINC000249276351 165196000 /nfs/dbraw/zinc/19/60/00/165196000.db2.gz DCVFIMVTNPHHBY-MXWKQRLJSA-N 0 0 335.429 0.863 10 30 ECEERN Cc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C#N)c(C)n1 ZINC000301754930 267337267 /nfs/dbraw/zinc/33/72/67/267337267.db2.gz CVUXVAFNDLDZJG-UHFFFAOYSA-N 0 0 341.415 0.841 10 30 ECEERN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000092230192 436469389 /nfs/dbraw/zinc/46/93/89/436469389.db2.gz IKSIHJRYCMKJAC-MRXNPFEDSA-N 0 0 344.415 0.736 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805463 436578230 /nfs/dbraw/zinc/57/82/30/436578230.db2.gz IEFCHSRLFRDKOU-LBPRGKRZSA-N 0 0 332.408 0.753 10 30 ECEERN CCN(C[C@H](C)C#N)C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869912 436583588 /nfs/dbraw/zinc/58/35/88/436583588.db2.gz FUDUNALTLZVVOG-MRXNPFEDSA-N 0 0 346.479 0.936 10 30 ECEERN N#CCNC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000108867628 436621094 /nfs/dbraw/zinc/62/10/94/436621094.db2.gz AUWFVJSUGWBSSR-UHFFFAOYSA-N 0 0 338.415 0.630 10 30 ECEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000248654906 436807242 /nfs/dbraw/zinc/80/72/42/436807242.db2.gz VZWFOMLOHXOYOJ-OLZOCXBDSA-N 0 0 334.424 0.723 10 30 ECEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247065947 436788954 /nfs/dbraw/zinc/78/89/54/436788954.db2.gz GFUOUWSDGVYGPH-GDBMZVCRSA-N 0 0 333.436 0.901 10 30 ECEERN C=CCCO[C@H](C)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136394926 436930748 /nfs/dbraw/zinc/93/07/48/436930748.db2.gz NFEAHAPKWHZULA-CYBMUJFWSA-N 0 0 330.392 0.754 10 30 ECEERN CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CCOCC2)ncn1 ZINC000173417951 437049090 /nfs/dbraw/zinc/04/90/90/437049090.db2.gz XDHKUFQSJOJWJQ-ZDUSSCGKSA-N 0 0 344.419 0.924 10 30 ECEERN C#CCNC(=O)c1ccc(N2CCCN(c3cccnn3)CC2)nc1 ZINC000265802123 437193299 /nfs/dbraw/zinc/19/32/99/437193299.db2.gz JYKLCASJTOYVMV-UHFFFAOYSA-N 0 0 336.399 0.951 10 30 ECEERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000177641925 437193770 /nfs/dbraw/zinc/19/37/70/437193770.db2.gz SRECZIHAIBXUMX-ZDUSSCGKSA-N 0 0 338.371 0.782 10 30 ECEERN C=C(C)CN([C@@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O ZINC000328614344 437239941 /nfs/dbraw/zinc/23/99/41/437239941.db2.gz VSBNNQSZTUDOKE-GFCCVEGCSA-N 0 0 326.422 0.753 10 30 ECEERN CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)CC3(C#N)CC3)C2)n1 ZINC000328612585 437239955 /nfs/dbraw/zinc/23/99/55/437239955.db2.gz PHSLQPCHROTVNS-AWEZNQCLSA-N 0 0 340.405 0.720 10 30 ECEERN CCc1nnc2n1CCN(C1CN(c3nnc(C)c(C)c3C#N)C1)C2 ZINC000328629068 437241352 /nfs/dbraw/zinc/24/13/52/437241352.db2.gz HWOXXHIJZPMHDH-UHFFFAOYSA-N 0 0 338.419 0.823 10 30 ECEERN C#CCNC(=O)c1ccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)nc1 ZINC000268381703 437408052 /nfs/dbraw/zinc/40/80/52/437408052.db2.gz JSYUVULJOZXBGI-GOSISDBHSA-N 0 0 339.399 0.930 10 30 ECEERN C#C[C@@H](C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000185314235 437435182 /nfs/dbraw/zinc/43/51/82/437435182.db2.gz JRGPNKARSIFBJY-RISCZKNCSA-N 0 0 333.413 0.888 10 30 ECEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000185636996 437447412 /nfs/dbraw/zinc/44/74/12/437447412.db2.gz NENRIYTVYWEDSY-LLVKDONJSA-N 0 0 333.373 0.452 10 30 ECEERN Cc1nc(CN2CCCN(C(=O)c3ccnc(C#N)c3)CC2)no1 ZINC000193219458 437706690 /nfs/dbraw/zinc/70/66/90/437706690.db2.gz DDWVZSDXEOIUPP-UHFFFAOYSA-N 0 0 326.360 0.993 10 30 ECEERN N#Cc1cncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)c1 ZINC000584596543 439603400 /nfs/dbraw/zinc/60/34/00/439603400.db2.gz JOACDQBBZNEWRY-UHFFFAOYSA-N 0 0 327.329 0.448 10 30 ECEERN C=CCCS(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178356626 527417072 /nfs/dbraw/zinc/41/70/72/527417072.db2.gz LTFYPVQEMSMLDM-GFCCVEGCSA-N 0 0 326.422 0.719 10 30 ECEERN CN(C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1COC[C@H]1O ZINC000329393287 741138504 /nfs/dbraw/zinc/13/85/04/741138504.db2.gz WDROMDZFNWOZBK-JHJVBQTASA-N 0 0 340.401 0.511 10 30 ECEERN COc1c(CNC(=O)CCN2CCCS2(=O)=O)c(C)nn1C ZINC000329615703 254612726 /nfs/dbraw/zinc/61/27/26/254612726.db2.gz FJYFJUYSBARXIT-UHFFFAOYSA-N 0 0 330.410 0.619 10 30 ECEERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000189454932 276595553 /nfs/dbraw/zinc/59/55/53/276595553.db2.gz NAZPIJGVPYAUBN-AWEZNQCLSA-N 0 0 344.415 0.720 10 30 ECEERN CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081512594 436348677 /nfs/dbraw/zinc/34/86/77/436348677.db2.gz PWLCSCDRDBCPED-HNNXBMFYSA-N 0 0 335.429 0.932 10 30 ECEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000081813001 436355860 /nfs/dbraw/zinc/35/58/60/436355860.db2.gz JXQCHSLZPWACDF-AWEZNQCLSA-N 0 0 338.371 0.839 10 30 ECEERN N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](N3CCOCC3)C2)c1 ZINC000156792429 436820229 /nfs/dbraw/zinc/82/02/29/436820229.db2.gz JUPLYVPNRFGYIS-INIZCTEOSA-N 0 0 349.456 0.738 10 30 ECEERN Cc1nnc([C@@H]2CN(C(=O)COc3ccccc3C#N)CCO2)[nH]1 ZINC000173541055 437053656 /nfs/dbraw/zinc/05/36/56/437053656.db2.gz JIONXAIKWPAAGU-AWEZNQCLSA-N 0 0 327.344 0.964 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000178497509 437216316 /nfs/dbraw/zinc/21/63/16/437216316.db2.gz PMDAIJWHKWHAOZ-HNNXBMFYSA-N 0 0 342.399 0.738 10 30 ECEERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1N1CCOCC1 ZINC000180246170 437282061 /nfs/dbraw/zinc/28/20/61/437282061.db2.gz YKCWSRWBAQGNQD-CZUORRHYSA-N 0 0 342.399 0.676 10 30 ECEERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1N1CCOCC1 ZINC000180246191 437283505 /nfs/dbraw/zinc/28/35/05/437283505.db2.gz YKCWSRWBAQGNQD-XJKSGUPXSA-N 0 0 342.399 0.676 10 30 ECEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000184942121 437418630 /nfs/dbraw/zinc/41/86/30/437418630.db2.gz JHQFGLUPLWLSAU-GFCCVEGCSA-N 0 0 339.355 0.360 10 30 ECEERN COc1cc(CN=NC(=S)NCCN2CCOCC2)ccc1O ZINC000020786234 521987557 /nfs/dbraw/zinc/98/75/57/521987557.db2.gz YKMFALQGVCDXMM-GZTJUZNOSA-N 0 0 338.433 0.942 10 30 ECEERN C[C@@H]1CN(C)C[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)O1 ZINC000892610125 586276533 /nfs/dbraw/zinc/27/65/33/586276533.db2.gz JMHSWHQBDGEKAP-IUODEOHRSA-N 0 0 340.387 0.856 10 30 ECEERN C[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)C[C@@H]1N1CCOCC1 ZINC000900881825 586672409 /nfs/dbraw/zinc/67/24/09/586672409.db2.gz URRTUVOJASWXMJ-QAPCUYQASA-N 0 0 328.412 0.823 10 30 ECEERN N#Cc1cc(F)c(C(=O)NC[C@@H](O)CN2CCOCC2)c(F)c1 ZINC000132341564 223321753 /nfs/dbraw/zinc/32/17/53/223321753.db2.gz DKNNCKHGQSRHMU-LLVKDONJSA-N 0 0 325.315 0.259 10 30 ECEERN N#Cc1cc(F)c(C(=O)NC[C@H](O)CN2CCOCC2)c(F)c1 ZINC000132341397 223322263 /nfs/dbraw/zinc/32/22/63/223322263.db2.gz DKNNCKHGQSRHMU-NSHDSACASA-N 0 0 325.315 0.259 10 30 ECEERN N#Cc1c2c(sc1NC(=O)CCN1CCOC[C@H]1C(N)=O)CCC2 ZINC000092230285 218128043 /nfs/dbraw/zinc/12/80/43/218128043.db2.gz YIOJLFVONVNYMF-LBPRGKRZSA-N 0 0 348.428 0.623 10 30 ECEERN C=CCOCCCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000173591363 254505180 /nfs/dbraw/zinc/50/51/80/254505180.db2.gz KTAPWQLJZXFCFG-UHFFFAOYSA-N 0 0 330.392 0.756 10 30 ECEERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1C#N ZINC000177610296 263153881 /nfs/dbraw/zinc/15/38/81/263153881.db2.gz GWRPSMNUEPMPMQ-UONOGXRCSA-N 0 0 344.415 0.719 10 30 ECEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800100 436578009 /nfs/dbraw/zinc/57/80/09/436578009.db2.gz WOILSTVUFUFMDX-HNNXBMFYSA-N 0 0 330.436 0.997 10 30 ECEERN CCCCCCCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000221706545 436700204 /nfs/dbraw/zinc/70/02/04/436700204.db2.gz JXLKQDFJNOXCNT-XFIYOXNOSA-N 0 0 333.425 0.307 10 30 ECEERN CC[C@H](CC#N)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126846385 436793143 /nfs/dbraw/zinc/79/31/43/436793143.db2.gz VGTJKTYEUBKXLX-WDEREUQCSA-N 0 0 334.401 0.922 10 30 ECEERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C#N)cn3)C2=O)n(C)n1 ZINC000175018536 437093373 /nfs/dbraw/zinc/09/33/73/437093373.db2.gz PZFLFCVJTCVAKW-CQSZACIVSA-N 0 0 338.371 0.921 10 30 ECEERN C#CCNC(=O)CNc1c2c(C)nn(C)c2ncc1C(=O)OCC ZINC000302749811 437148985 /nfs/dbraw/zinc/14/89/85/437148985.db2.gz UBQOTJHHHYMWQO-UHFFFAOYSA-N 0 0 329.360 0.615 10 30 ECEERN N=C(N)NN=Cc1ccc(Cc2ccc(C=NNC(=N)N)cc2)cc1 ZINC000584604719 439605021 /nfs/dbraw/zinc/60/50/21/439605021.db2.gz ONLUZUIAXFTSQF-CZGKVYIXSA-N 0 0 336.403 0.911 10 30 ECEERN N#Cc1cc(Cl)ccc1N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886080305 590792503 /nfs/dbraw/zinc/79/25/03/590792503.db2.gz VBEGAGXGBKSWGT-MRXNPFEDSA-N 0 0 334.807 0.978 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@@H]1C ZINC000174896325 231338409 /nfs/dbraw/zinc/33/84/09/231338409.db2.gz UXBGLNPXBIWJAL-AWEZNQCLSA-N 0 0 344.415 0.984 10 30 ECEERN CCCCCCCNC(=O)OC[C@H]1O[C@H](OC)[C@H](O)[C@H](O)[C@@H]1O ZINC000100035185 219088967 /nfs/dbraw/zinc/08/89/67/219088967.db2.gz XPIVOYOQXKNYHA-KSTCHIGDSA-N 0 0 335.397 0.137 10 30 ECEERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104361626 219378745 /nfs/dbraw/zinc/37/87/45/219378745.db2.gz VJZYEPXRFQLNOE-GFCCVEGCSA-N 0 0 334.763 0.887 10 30 ECEERN N#Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188020657 236388090 /nfs/dbraw/zinc/38/80/90/236388090.db2.gz LERNDPRVVVHQLJ-UHFFFAOYSA-N 0 0 326.356 0.624 10 30 ECEERN O=C(NC[C@H]1COCCO1)N1CCC(c2ccnn2CCO)CC1 ZINC000329814110 254619600 /nfs/dbraw/zinc/61/96/00/254619600.db2.gz DORBBURZLNXJAU-AWEZNQCLSA-N 0 0 338.408 0.384 10 30 ECEERN CCC#CCN1C[C@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C(=O)NC(C)C ZINC000096153347 436517668 /nfs/dbraw/zinc/51/76/68/436517668.db2.gz LBHOWSPBPWSMEF-CABCVRRESA-N 0 0 345.447 0.829 10 30 ECEERN COc1cc(C(=O)N[C@H](C)COS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000145970026 436679443 /nfs/dbraw/zinc/67/94/43/436679443.db2.gz FMOHUTNGAVBRMH-MRVPVSSYSA-N 0 0 332.334 0.698 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000247254149 436792455 /nfs/dbraw/zinc/79/24/55/436792455.db2.gz UFNGQWSXKORTGR-CQSZACIVSA-N 0 0 346.435 0.697 10 30 ECEERN Cc1cnn(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000172291527 437007648 /nfs/dbraw/zinc/00/76/48/437007648.db2.gz VPYJZJLVJXQTDL-UHFFFAOYSA-N 0 0 339.403 0.990 10 30 ECEERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)[nH]1 ZINC000173734386 437061506 /nfs/dbraw/zinc/06/15/06/437061506.db2.gz AJXDUJNMNASPHJ-ZDUSSCGKSA-N 0 0 333.373 0.747 10 30 ECEERN CCn1c(C)nnc1CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000176372147 437141665 /nfs/dbraw/zinc/14/16/65/437141665.db2.gz YSJFQUNUKMMRCH-LBPRGKRZSA-N 0 0 326.408 0.979 10 30 ECEERN CCN1CCO[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cnn(C)c1 ZINC000596450003 438964941 /nfs/dbraw/zinc/96/49/41/438964941.db2.gz RAAFLZKCMBRDHO-HOCLYGCPSA-N 0 0 327.392 0.956 10 30 ECEERN COc1cc(C#N)ccc1CN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000599506969 439495350 /nfs/dbraw/zinc/49/53/50/439495350.db2.gz LGEBGSAGTHVMDE-NVXWUHKLSA-N 0 0 328.372 0.924 10 30 ECEERN C=CCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000616583597 439820559 /nfs/dbraw/zinc/82/05/59/439820559.db2.gz RZNDVHTWHYQMRO-YRDXOGEASA-N 0 0 349.383 0.894 10 30 ECEERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(C#N)[nH]2)OCCN1C ZINC000886055429 590788747 /nfs/dbraw/zinc/78/87/47/590788747.db2.gz OLVPBKDBHBTGEU-GJZGRUSLSA-N 0 0 328.376 0.422 10 30 ECEERN O=C1C(N2CC2)=C(N2CCCC2)C(=O)C(N2CC2)=C1N1CCCC1 ZINC000100965755 219112622 /nfs/dbraw/zinc/11/26/22/219112622.db2.gz ULXLNOJYXVNTHA-UHFFFAOYSA-N 0 0 328.416 0.384 10 30 ECEERN CN(C)/C=C\C(=O)c1nn(-c2ccc(F)cc2F)c(=O)n(C)c1=O ZINC000033336286 212928711 /nfs/dbraw/zinc/92/87/11/212928711.db2.gz ABIWCNHHMUYWQJ-SREVYHEPSA-N 0 0 336.298 0.467 10 30 ECEERN C[C@H](C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)N1CCOCC1 ZINC000329654218 254614188 /nfs/dbraw/zinc/61/41/88/254614188.db2.gz LOJGURPSQPNXNF-CHWSQXEVSA-N 0 0 335.408 0.593 10 30 ECEERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000118115801 221122148 /nfs/dbraw/zinc/12/21/48/221122148.db2.gz YALZYNSLCRVXDO-LBPRGKRZSA-N 0 0 336.779 0.597 10 30 ECEERN N#Cc1cccc(N2C[C@]3(CCN(C(=O)C4=NC=NC4)C3)CC2=O)c1 ZINC000503720259 257829254 /nfs/dbraw/zinc/82/92/54/257829254.db2.gz QLRSPFACQVINHU-GOSISDBHSA-N 0 0 335.367 0.997 10 30 ECEERN CC(C)[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(N)=O ZINC000184575704 164965078 /nfs/dbraw/zinc/96/50/78/164965078.db2.gz XQEMJNQOSWYDDP-LBPRGKRZSA-N 0 0 327.348 0.770 10 30 ECEERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193511138 165054927 /nfs/dbraw/zinc/05/49/27/165054927.db2.gz HHXWWTZMQIBJTH-LLVKDONJSA-N 0 0 345.403 0.790 10 30 ECEERN C[C@@H]1CN(C)c2ccccc2CN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000267844958 296968813 /nfs/dbraw/zinc/96/88/13/296968813.db2.gz AOCRAZNWOAQHFA-GFCCVEGCSA-N 0 0 339.399 0.801 10 30 ECEERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329688785 289044369 /nfs/dbraw/zinc/04/43/69/289044369.db2.gz ZAGAWSOFJWLAHI-HZSPNIEDSA-N 0 0 345.465 0.273 10 30 ECEERN 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/nfs/dbraw/zinc/66/46/49/436664649.db2.gz BBOYGEDZOMTGKE-XJFOESAGSA-N 0 0 344.385 0.938 10 30 ECEERN N#CCCn1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000123043106 436739558 /nfs/dbraw/zinc/73/95/58/436739558.db2.gz CMSMDBFWTOKANZ-CXAGYDPISA-N 0 0 345.403 0.889 10 30 ECEERN N#C[C@@H](c1ccccc1)N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000124676584 436754489 /nfs/dbraw/zinc/75/44/89/436754489.db2.gz LKBWIFSYUHEKLZ-MSOLQXFVSA-N 0 0 342.443 0.852 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180247999 437283219 /nfs/dbraw/zinc/28/32/19/437283219.db2.gz QTNNJMMIIJMVCM-RHSMWYFYSA-N 0 0 341.411 0.786 10 30 ECEERN C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000181727460 437329099 /nfs/dbraw/zinc/32/90/99/437329099.db2.gz RLQLWAXLFIFGTL-CZUORRHYSA-N 0 0 333.363 0.764 10 30 ECEERN N#Cc1ccc(C(=O)NCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188558963 437557282 /nfs/dbraw/zinc/55/72/82/437557282.db2.gz BYXCULMSZSWYJC-UHFFFAOYSA-N 0 0 340.383 0.415 10 30 ECEERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)CCO2)cn1 ZINC000189227499 437587348 /nfs/dbraw/zinc/58/73/48/437587348.db2.gz PDOIMRYRUMYSHY-HNNXBMFYSA-N 0 0 347.400 0.932 10 30 ECEERN COc1ccc(C(NN)=C2C(C#N)(C#N)[C@@]2(C#N)C(N)=O)cc1OC ZINC000575121854 438739309 /nfs/dbraw/zinc/73/93/09/438739309.db2.gz OUFVGLXJRPNSCO-CZUORRHYSA-N 0 0 338.327 0.025 10 30 ECEERN C/C(=N/NC(N)=S)[C@]1(C)N(O)C(C)(C)C(C2=S=CC=C2)=[N+]1[O-] ZINC000575418156 438748271 /nfs/dbraw/zinc/74/82/71/438748271.db2.gz LWZDNFNPJOSYTG-PBTLCFMXSA-O 0 0 342.470 0.515 10 30 ECEERN CC1(C)C(=O)[C@@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C([N+](=O)[O-])=C1[N+](=O)[O-] ZINC000584657152 439606658 /nfs/dbraw/zinc/60/66/58/439606658.db2.gz WAFYQSZMXGGCJS-VHSXEESVSA-N 0 0 332.225 0.431 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O ZINC000090750664 518997767 /nfs/dbraw/zinc/99/77/67/518997767.db2.gz RZNDVHTWHYQMRO-BQULAQKPSA-N 0 0 349.383 0.894 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820362 589139686 /nfs/dbraw/zinc/13/96/86/589139686.db2.gz OCEPLXMAFVOKEV-INIZCTEOSA-N 0 0 346.431 0.349 10 30 ECEERN N#Cc1cc(Cl)ccc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886093334 590794982 /nfs/dbraw/zinc/79/49/82/590794982.db2.gz AZSJNYXULJDQFL-QGZVFWFLSA-N 0 0 348.834 0.974 10 30 ECEERN Cc1cc(C)n2nc(CC(=O)NCCN3C(=O)CCCC3=O)nc2n1 ZINC000329732386 254615778 /nfs/dbraw/zinc/61/57/78/254615778.db2.gz ITUGOBRCWMILJU-UHFFFAOYSA-N 0 0 344.375 0.779 10 30 ECEERN COc1c(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)nn1C ZINC000329728970 254616255 /nfs/dbraw/zinc/61/62/55/254616255.db2.gz HKHAGTIWUWPXKX-GFCCVEGCSA-N 0 0 349.395 0.651 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000329268120 287087614 /nfs/dbraw/zinc/08/76/14/287087614.db2.gz GKDCLUQBFXVEFA-CABCVRRESA-N 0 0 341.452 0.627 10 30 ECEERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000189478468 273753922 /nfs/dbraw/zinc/75/39/22/273753922.db2.gz MFQLNNWSFCQSEJ-HNNXBMFYSA-N 0 0 344.415 0.720 10 30 ECEERN C=CCNC(=O)[C@@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000105868718 436583457 /nfs/dbraw/zinc/58/34/57/436583457.db2.gz RPTRJOASGWTXSR-CQSZACIVSA-N 0 0 333.436 0.996 10 30 ECEERN Cc1cnn(C[C@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)c1 ZINC000105892856 436585274 /nfs/dbraw/zinc/58/52/74/436585274.db2.gz RYAHJNMNEQODCI-MRXNPFEDSA-N 0 0 344.419 0.548 10 30 ECEERN N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1F ZINC000174007718 437073709 /nfs/dbraw/zinc/07/37/09/437073709.db2.gz UMLCLUGCDBBJPG-CQSZACIVSA-N 0 0 346.362 0.569 10 30 ECEERN C#CCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000302745129 437148891 /nfs/dbraw/zinc/14/88/91/437148891.db2.gz RUFRTHVZSJSNDD-UHFFFAOYSA-N 0 0 335.307 0.514 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1C ZINC000176009734 437127787 /nfs/dbraw/zinc/12/77/87/437127787.db2.gz OMFPNRZBMOXHAF-NWDGAFQWSA-N 0 0 348.378 0.549 10 30 ECEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000176000248 437128560 /nfs/dbraw/zinc/12/85/60/437128560.db2.gz KIQSFOHHGMKFEG-AWEZNQCLSA-N 0 0 346.362 0.569 10 30 ECEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177627294 437191961 /nfs/dbraw/zinc/19/19/61/437191961.db2.gz OIAJXJMAYHUECY-CYBMUJFWSA-N 0 0 341.371 0.913 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(CC)nn3C2)c1 ZINC000177637431 437194615 /nfs/dbraw/zinc/19/46/15/437194615.db2.gz CAZXPHLYKLGJJA-AWEZNQCLSA-N 0 0 337.383 0.892 10 30 ECEERN CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)CC3(C#N)CC3)C2)n1 ZINC000328612586 437239251 /nfs/dbraw/zinc/23/92/51/437239251.db2.gz PHSLQPCHROTVNS-CQSZACIVSA-N 0 0 340.405 0.720 10 30 ECEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](c2nncn2CC)C1 ZINC000328624863 437241514 /nfs/dbraw/zinc/24/15/14/437241514.db2.gz CRMJGEHKFQLOFR-ZIAGYGMSSA-N 0 0 334.424 0.679 10 30 ECEERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCCC#N ZINC000184706691 437408590 /nfs/dbraw/zinc/40/85/90/437408590.db2.gz STDPZDYNNFEIII-NSHDSACASA-N 0 0 334.401 0.924 10 30 ECEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000367108952 438167512 /nfs/dbraw/zinc/16/75/12/438167512.db2.gz SFJSOGXIEIBCQO-MNOVXSKESA-N 0 0 330.435 0.853 10 30 ECEERN COc1ccc(C(NN)=C2C(C#N)(C#N)[C@]2(C#N)C(N)=O)cc1OC ZINC000575121851 438738593 /nfs/dbraw/zinc/73/85/93/438738593.db2.gz OUFVGLXJRPNSCO-BBRMVZONSA-N 0 0 338.327 0.025 10 30 ECEERN N#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)nc1 ZINC000552150368 438741583 /nfs/dbraw/zinc/74/15/83/438741583.db2.gz AMRHYVOMBQMJMH-ZDUSSCGKSA-N 0 0 333.355 1.323 10 30 ECEERN N#C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H]1c1ccccc1 ZINC000597687064 439159384 /nfs/dbraw/zinc/15/93/84/439159384.db2.gz OSKNXZVOLCGJMV-ZHCJQAHYSA-N 0 0 328.368 0.165 10 30 ECEERN N#Cc1cc(N2C[C@@H](O)[C@H](n3ccnn3)C2)ncc1Br ZINC000603415089 439258176 /nfs/dbraw/zinc/25/81/76/439258176.db2.gz DTMBUGRSKZTYAS-GHMZBOCLSA-N 0 0 335.165 0.729 10 30 ECEERN N#Cc1ccc(F)c(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886080445 590792565 /nfs/dbraw/zinc/79/25/65/590792565.db2.gz YLJXDRMIISRTEW-QGZVFWFLSA-N 0 0 332.379 0.459 10 30 ECEERN C=C(C)CS(=O)(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223623065 609713225 /nfs/dbraw/zinc/71/32/25/609713225.db2.gz WRSBTMHQTRRWQM-UHFFFAOYSA-N 0 0 332.466 0.611 10 30 ECEERN C[C@@]1(NC(=O)O/N=C2\c3ccccc3NC2=O)CCS(=O)(=O)C1 ZINC000040168577 213278055 /nfs/dbraw/zinc/27/80/55/213278055.db2.gz VSSQMLNMMLWNHC-CQSZACIVSA-N 0 0 337.357 0.646 10 30 ECEERN O=[N+]([O-])c1ccc(S(=O)(=O)OC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005344499 210444120 /nfs/dbraw/zinc/44/41/20/210444120.db2.gz LTINFKOWHNCMMD-VIFPVBQESA-N 0 0 335.359 0.735 10 30 ECEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C)[C@H](C#N)C1 ZINC000329232785 254602100 /nfs/dbraw/zinc/60/21/00/254602100.db2.gz LNLFVAZOVCXILH-GZBFAFLISA-N 0 0 332.408 0.551 10 30 ECEERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000375214794 254751626 /nfs/dbraw/zinc/75/16/26/254751626.db2.gz JRWGCOVRRVMRAI-KBUPBQIOSA-N 0 0 345.465 0.839 10 30 ECEERN CN1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@@H]1C#N ZINC000329111367 277098493 /nfs/dbraw/zinc/09/84/93/277098493.db2.gz GQPBYYUGAKVAGF-NSHDSACASA-N 0 0 327.344 0.873 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)c1 ZINC000189464293 437602113 /nfs/dbraw/zinc/60/21/13/437602113.db2.gz TZRVXXWCWVUCIW-MRXNPFEDSA-N 0 0 329.400 0.522 10 30 ECEERN CCN(C[C@H](C)C#N)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800103 436578020 /nfs/dbraw/zinc/57/80/20/436578020.db2.gz WOILSTVUFUFMDX-OAHLLOKOSA-N 0 0 330.436 0.997 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105806089 436578209 /nfs/dbraw/zinc/57/82/09/436578209.db2.gz WPHACOWKMBXGAB-UHFFFAOYSA-N 0 0 332.408 0.389 10 30 ECEERN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194621103 436668662 /nfs/dbraw/zinc/66/86/62/436668662.db2.gz SZPCXKHIJVPQTQ-HNNXBMFYSA-N 0 0 333.436 0.793 10 30 ECEERN CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263497432 436968290 /nfs/dbraw/zinc/96/82/90/436968290.db2.gz ROFKSADNMZVXGZ-PNESKVBLSA-N 0 0 346.453 0.240 10 30 ECEERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)[nH]1 ZINC000173736350 437062868 /nfs/dbraw/zinc/06/28/68/437062868.db2.gz KFQATXICCGXGII-AWEZNQCLSA-N 0 0 347.400 0.888 10 30 ECEERN C#CCNC(=O)CNc1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000302738137 437148578 /nfs/dbraw/zinc/14/85/78/437148578.db2.gz PQCJSQQULNWWAP-UHFFFAOYSA-N 0 0 336.779 0.369 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000178497525 437216182 /nfs/dbraw/zinc/21/61/82/437216182.db2.gz PMDAIJWHKWHAOZ-OAHLLOKOSA-N 0 0 342.399 0.738 10 30 ECEERN C=CCNC(=O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000180279466 437285852 /nfs/dbraw/zinc/28/58/52/437285852.db2.gz AIFJNUQEAINQLS-NHYWBVRUSA-N 0 0 328.434 0.603 10 30 ECEERN C=CCN1C(=O)[C@@H]2CN(C(=O)CSc3ccncc3)CCN2C1=O ZINC000005399123 518844250 /nfs/dbraw/zinc/84/42/50/518844250.db2.gz DGIIVGAOUKIGIY-ZDUSSCGKSA-N 0 0 346.412 0.835 10 30 ECEERN C#CCCCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000154946200 526698857 /nfs/dbraw/zinc/69/88/57/526698857.db2.gz YJUCNPUELIXHCY-UHFFFAOYSA-N 0 0 327.392 0.759 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820364 589139665 /nfs/dbraw/zinc/13/96/65/589139665.db2.gz OCEPLXMAFVOKEV-MRXNPFEDSA-N 0 0 346.431 0.349 10 30 ECEERN COc1ccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1C#N ZINC000886093390 590794739 /nfs/dbraw/zinc/79/47/39/590794739.db2.gz HWJDEUZQJVJFNN-GOSISDBHSA-N 0 0 344.415 0.329 10 30 ECEERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)NCc1cnnn1C ZINC000329716240 741562612 /nfs/dbraw/zinc/56/26/12/741562612.db2.gz WDXXLDKTLJSAMG-RYUDHWBXSA-N 0 0 348.386 0.568 10 30 ECEERN CN1CCN(N=C2NC(=NN3CCN(C)CC3)c3ccccc32)CC1 ZINC000040802556 213388570 /nfs/dbraw/zinc/38/85/70/213388570.db2.gz TWCPVQBXTABNNW-UHFFFAOYSA-N 0 0 341.463 0.108 10 30 ECEERN C=CCOC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)O1 ZINC000096186077 218650856 /nfs/dbraw/zinc/65/08/56/218650856.db2.gz CRJRUJQECJXGAG-RDBSUJKOSA-N 0 0 341.433 0.933 10 30 ECEERN CC(C)n1nnnc1CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155616742 164776000 /nfs/dbraw/zinc/77/60/00/164776000.db2.gz BKMSLURFRXTHLD-GFCCVEGCSA-N 0 0 327.396 0.626 10 30 ECEERN CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C ZINC000247249011 165157510 /nfs/dbraw/zinc/15/75/10/165157510.db2.gz XOHQPBBUIONQMC-CYBMUJFWSA-N 0 0 338.433 0.685 10 30 ECEERN N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(Cl)c1 ZINC000227308700 263171287 /nfs/dbraw/zinc/17/12/87/263171287.db2.gz KXMCOEXFTSVTBL-SNVBAGLBSA-N 0 0 329.765 0.086 10 30 ECEERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000189457410 437602196 /nfs/dbraw/zinc/60/21/96/437602196.db2.gz ZJUWQGGTFBHHMR-HNNXBMFYSA-N 0 0 330.388 0.412 10 30 ECEERN CN(C)C1(C#N)CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329427656 282024921 /nfs/dbraw/zinc/02/49/21/282024921.db2.gz GTRJFTBHCNGLEK-QWHCGFSZSA-N 0 0 333.396 0.052 10 30 ECEERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCC1([S@@](C)=O)CC1 ZINC000329610159 289044270 /nfs/dbraw/zinc/04/42/70/289044270.db2.gz NPWSLDQCGLHARB-GIYNXVAASA-N 0 0 329.466 0.607 10 30 ECEERN Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O)cc1 ZINC000014584271 436074145 /nfs/dbraw/zinc/07/41/45/436074145.db2.gz RMWKMMUSFZVFMX-AAVRWANBSA-N 0 0 344.385 0.938 10 30 ECEERN C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1 ZINC000077139040 436227703 /nfs/dbraw/zinc/22/77/03/436227703.db2.gz DBZJATYXEPXHPT-BETUJISGSA-N 0 0 336.413 0.848 10 30 ECEERN C=CCN1CC[C@@]23c4c5c(O)ccc4[C@@H](O)[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000077300754 436230445 /nfs/dbraw/zinc/23/04/45/436230445.db2.gz INQPEYLRYLSPCY-GYFISPQKSA-N 0 0 343.379 0.792 10 30 in-vitro ECEERN C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C)cn2)cc1 ZINC000117810749 436658319 /nfs/dbraw/zinc/65/83/19/436658319.db2.gz CDNYENMWIDQNOD-UHFFFAOYSA-N 0 0 346.412 0.533 10 30 ECEERN N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)nc1 ZINC000121604101 436720483 /nfs/dbraw/zinc/72/04/83/436720483.db2.gz OCXRQIACVKEYHK-HSBZDZAISA-N 0 0 328.372 0.896 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000247114755 436790101 /nfs/dbraw/zinc/79/01/01/436790101.db2.gz RHISUDJVEDOCJZ-OLZOCXBDSA-N 0 0 330.388 0.410 10 30 ECEERN CCc1nnc([C@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)[nH]1 ZINC000165740582 436935047 /nfs/dbraw/zinc/93/50/47/436935047.db2.gz XRVZUGJSNOLUIS-SNVBAGLBSA-N 0 0 325.394 0.374 10 30 ECEERN Cn1cc(CN2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)cn1 ZINC000165322439 436936496 /nfs/dbraw/zinc/93/64/96/436936496.db2.gz VPROHEJVMGJCGR-UHFFFAOYSA-N 0 0 337.449 0.561 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177606622 437192405 /nfs/dbraw/zinc/19/24/05/437192405.db2.gz QYIBLDBIYMUXAB-UONOGXRCSA-N 0 0 344.415 0.719 10 30 ECEERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183609247 437388498 /nfs/dbraw/zinc/38/84/98/437388498.db2.gz GWHGSJWPMCVAJX-LLVKDONJSA-N 0 0 329.809 0.821 10 30 ECEERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H](C)CC#N ZINC000125798756 590363765 /nfs/dbraw/zinc/36/37/65/590363765.db2.gz MUNHUNATVJXNOC-QWRGUYRKSA-N 0 0 334.401 0.874 10 30 ECEERN COc1cc(C#N)ccc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886093337 590794436 /nfs/dbraw/zinc/79/44/36/590794436.db2.gz BJBJJCIJFKUKKL-GOSISDBHSA-N 0 0 344.415 0.329 10 30 ECEERN C=CCNC(=S)NNC(C)=C1C(=O)NC(=S)N(CC=C)C1=O ZINC000103585785 219314881 /nfs/dbraw/zinc/31/48/81/219314881.db2.gz NLKZSCFICSDQSJ-PTPOTIKZSA-N 0 0 339.446 0.058 10 30 ECEERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1C#N ZINC000177610279 263153898 /nfs/dbraw/zinc/15/38/98/263153898.db2.gz GWRPSMNUEPMPMQ-ZIAGYGMSSA-N 0 0 344.415 0.719 10 30 ECEERN N#CCCn1cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c2ccccc21 ZINC000092228735 436466996 /nfs/dbraw/zinc/46/69/96/436466996.db2.gz AEMRRSRXHJYBRP-MRXNPFEDSA-N 0 0 340.383 0.924 10 30 ECEERN C=CCNC(=O)[C@@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894346 436584202 /nfs/dbraw/zinc/58/42/02/436584202.db2.gz VEOSWOLCRZWTAZ-IAGOWNOFSA-N 0 0 347.459 0.735 10 30 ECEERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000106403113 436595133 /nfs/dbraw/zinc/59/51/33/436595133.db2.gz MOFVSMSWDYTXRF-INIZCTEOSA-N 0 0 344.415 0.203 10 30 ECEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174000653 437072616 /nfs/dbraw/zinc/07/26/16/437072616.db2.gz BDWXZBUANIHABX-OAHLLOKOSA-N 0 0 335.429 0.962 10 30 ECEERN Cc1conc1NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328629714 437242623 /nfs/dbraw/zinc/24/26/23/437242623.db2.gz IODAQONKPYIMTR-NSHDSACASA-N 0 0 332.364 1.072 10 30 ECEERN N#Cc1cccc(S(=O)(=O)CCN2CC(NC(=O)C3CCC3)C2)c1 ZINC000185934143 437455029 /nfs/dbraw/zinc/45/50/29/437455029.db2.gz QUEUDUYSYLDRQU-UHFFFAOYSA-N 0 0 347.440 0.932 10 30 ECEERN CCN1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000596461014 438965950 /nfs/dbraw/zinc/96/59/50/438965950.db2.gz DRFODEXQMKFMPI-HOTGVXAUSA-N 0 0 342.403 0.812 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000105835285 545740284 /nfs/dbraw/zinc/74/02/84/545740284.db2.gz UBHIXRDWRSARLA-KBPBESRZSA-N 0 0 326.441 0.429 10 30 ECEERN C[C@H](C#N)NC(=O)Cn1nc(Br)c(Br)n1 ZINC000900401650 586630016 /nfs/dbraw/zinc/63/00/16/586630016.db2.gz YKWRQAJVBQGJCW-SCSAIBSYSA-N 0 0 336.975 0.831 10 30 ECEERN N#Cc1ccc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)c(Cl)c1 ZINC000886074608 590791001 /nfs/dbraw/zinc/79/10/01/590791001.db2.gz FUIKHYGZMIKCOU-KRWDZBQOSA-N 0 0 348.834 0.974 10 30 ECEERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C ZINC000246077215 243188859 /nfs/dbraw/zinc/18/88/59/243188859.db2.gz FYMCHAIZWCSREW-NEPJUHHUSA-N 0 0 341.408 0.773 10 30 ECEERN CN1CCN(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)CC1 ZINC000225489407 277091252 /nfs/dbraw/zinc/09/12/52/277091252.db2.gz ILROEUAJMKLTSC-CYBMUJFWSA-N 0 0 330.392 0.559 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1C ZINC000121344704 278396498 /nfs/dbraw/zinc/39/64/98/278396498.db2.gz AJYFJROOWOXYPU-ZIAGYGMSSA-N 0 0 330.384 0.680 10 30 ECEERN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000092230193 436468775 /nfs/dbraw/zinc/46/87/75/436468775.db2.gz IKSIHJRYCMKJAC-INIZCTEOSA-N 0 0 344.415 0.736 10 30 ECEERN C#CCNC(=O)[C@H](C)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866130 436582918 /nfs/dbraw/zinc/58/29/18/436582918.db2.gz GSQVHYNCADLMBL-HNNXBMFYSA-N 0 0 331.464 0.894 10 30 ECEERN C#CCNC(=O)[C@@H](C)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866132 436583119 /nfs/dbraw/zinc/58/31/19/436583119.db2.gz GSQVHYNCADLMBL-OAHLLOKOSA-N 0 0 331.464 0.894 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893013 436584719 /nfs/dbraw/zinc/58/47/19/436584719.db2.gz AFBKTUHYBIKWGN-AWEZNQCLSA-N 0 0 335.408 0.213 10 30 ECEERN Cc1ccc(S(=O)(=O)n2ccnc2COS(C)(=O)=O)cc1 ZINC000137434401 436657934 /nfs/dbraw/zinc/65/79/34/436657934.db2.gz VEOVPASRCWCMIO-UHFFFAOYSA-N 0 0 330.387 0.905 10 30 ECEERN N#CC1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCOCC1 ZINC000226037412 436713367 /nfs/dbraw/zinc/71/33/67/436713367.db2.gz LEDQKKYWZMOKSK-UHFFFAOYSA-N 0 0 340.361 0.974 10 30 ECEERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000262147028 436910716 /nfs/dbraw/zinc/91/07/16/436910716.db2.gz QPKVYCVTBJGSKU-GFCCVEGCSA-N 0 0 334.332 0.688 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000177606103 437191985 /nfs/dbraw/zinc/19/19/85/437191985.db2.gz PBXZBBVMNSVNTB-VXGBXAGGSA-N 0 0 348.378 0.549 10 30 ECEERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000177641912 437193850 /nfs/dbraw/zinc/19/38/50/437193850.db2.gz SRECZIHAIBXUMX-CYBMUJFWSA-N 0 0 338.371 0.782 10 30 ECEERN N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177650162 437194542 /nfs/dbraw/zinc/19/45/42/437194542.db2.gz OETQCGQATDYYSA-OAHLLOKOSA-N 0 0 339.355 0.621 10 30 ECEERN CN1CCO[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184651283 437409122 /nfs/dbraw/zinc/40/91/22/437409122.db2.gz KWMFBSKTLAJVEO-CQSZACIVSA-N 0 0 341.375 0.591 10 30 ECEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186178024 437462944 /nfs/dbraw/zinc/46/29/44/437462944.db2.gz OPOXPXSTQJESJW-UHFFFAOYSA-N 0 0 337.376 0.987 10 30 ECEERN N#Cc1ccc(C2(C(=O)NC[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000187804197 437514836 /nfs/dbraw/zinc/51/48/36/437514836.db2.gz RDPRMMAJDSPKOF-MRXNPFEDSA-N 0 0 329.400 0.399 10 30 ECEERN N#Cc1cccc(Cc2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)c1 ZINC000584597033 439604167 /nfs/dbraw/zinc/60/41/67/439604167.db2.gz UFWPWKIAVUPDBT-UHFFFAOYSA-N 0 0 340.368 0.977 10 30 ECEERN Cc1cc(C#N)nc(NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n1 ZINC000886082037 590792953 /nfs/dbraw/zinc/79/29/53/590792953.db2.gz XMLPBVIIVQRLMZ-GJZGRUSLSA-N 0 0 327.392 0.874 10 30 ECEERN C=CCn1cnc2oc(C)c(C(=O)NCCN3CCOCC3)c2c1=O ZINC000222766721 609704354 /nfs/dbraw/zinc/70/43/54/609704354.db2.gz HYAPXFXUQFNSRC-UHFFFAOYSA-N 0 0 346.387 0.546 10 30 ECEERN O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000330149285 741624136 /nfs/dbraw/zinc/62/41/36/741624136.db2.gz JYWLCTLVTCEJJR-VIFPVBQESA-N 0 0 348.329 0.644 10 30 ECEERN CN1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C[C@H]1C#N ZINC000334112942 282900965 /nfs/dbraw/zinc/90/09/65/282900965.db2.gz DOKMQLDGRVYBSJ-INMHGKMJSA-N 0 0 341.415 0.855 10 30 ECEERN CCCOC(=O)CCc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC#N ZINC000036075915 213059642 /nfs/dbraw/zinc/05/96/42/213059642.db2.gz VUYSUUNHTWVNRL-UHFFFAOYSA-N 0 0 333.348 0.223 10 30 ECEERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1C#N ZINC000187979962 236368657 /nfs/dbraw/zinc/36/86/57/236368657.db2.gz NTASPUUAWPDXAK-UHFFFAOYSA-N 0 0 326.356 0.542 10 30 ECEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000112650157 220364191 /nfs/dbraw/zinc/36/41/91/220364191.db2.gz ZTJNXJNZAPDSNZ-LLVKDONJSA-N 0 0 344.762 0.873 10 30 ECEERN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000130742903 254497871 /nfs/dbraw/zinc/49/78/71/254497871.db2.gz QNBVAJUIZLTMQS-CABCVRRESA-N 0 0 336.413 0.631 10 30 ECEERN Cc1nnc([C@H]2CN(C(=O)COc3ccccc3C#N)CCO2)[nH]1 ZINC000173541068 164857031 /nfs/dbraw/zinc/85/70/31/164857031.db2.gz JIONXAIKWPAAGU-CQSZACIVSA-N 0 0 327.344 0.964 10 30 ECEERN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195333693 165079828 /nfs/dbraw/zinc/07/98/28/165079828.db2.gz KAMHDRBADQIYBO-INIZCTEOSA-N 0 0 347.440 0.780 10 30 ECEERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000189338846 437593565 /nfs/dbraw/zinc/59/35/65/437593565.db2.gz ILJBDRXWKRTWSG-ZENOOKHLSA-N 0 0 333.392 0.948 10 30 ECEERN CCO[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C12CCOCC2 ZINC000184103873 279882558 /nfs/dbraw/zinc/88/25/58/279882558.db2.gz HPBWBDMUTQUPLR-QWHCGFSZSA-N 0 0 348.403 0.342 10 30 ECEERN C[C@H](CC(=O)NCCC(=O)N1CCOCC1)N1CCCCC1=O ZINC000328743960 298243871 /nfs/dbraw/zinc/24/38/71/298243871.db2.gz NRJBCIIKUFAYJA-CYBMUJFWSA-N 0 0 325.409 0.983 10 30 ECEERN [NH3+]CCc1ccc(S(=O)([O-])=NC(=O)N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000077271169 436230810 /nfs/dbraw/zinc/23/08/10/436230810.db2.gz VCKOJLCOICOPJG-QWHCGFSZSA-N 0 0 341.433 0.684 10 30 in-vitro ECEERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000156280479 436812576 /nfs/dbraw/zinc/81/25/76/436812576.db2.gz GDRFLILPXCEUPI-GFCCVEGCSA-N 0 0 325.365 0.939 10 30 ECEERN C#CCN(CC#C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126197461 436783798 /nfs/dbraw/zinc/78/37/98/436783798.db2.gz ODFYJXBWFZASHV-GFCCVEGCSA-N 0 0 329.381 0.209 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000247114764 436790367 /nfs/dbraw/zinc/79/03/67/436790367.db2.gz RHISUDJVEDOCJZ-STQMWFEESA-N 0 0 330.388 0.410 10 30 ECEERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000177616272 437191287 /nfs/dbraw/zinc/19/12/87/437191287.db2.gz GNEHMMNCHNCDEE-CZUORRHYSA-N 0 0 344.415 0.800 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)c1 ZINC000177611951 437192568 /nfs/dbraw/zinc/19/25/68/437192568.db2.gz BYVCLIUJPVTLQP-RHSMWYFYSA-N 0 0 343.427 0.910 10 30 ECEERN N#CCCCS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178697094 437224845 /nfs/dbraw/zinc/22/48/45/437224845.db2.gz KTLTUYQVFHXTOS-INIZCTEOSA-N 0 0 337.445 0.971 10 30 ECEERN COC[C@@H](NC(=O)NC1CCN(c2nccn(C)c2=O)CC1)C1CC1 ZINC000328650190 437246554 /nfs/dbraw/zinc/24/65/54/437246554.db2.gz VJMGWSTZDTVTAW-CQSZACIVSA-N 0 0 349.435 0.678 10 30 ECEERN N#CCc1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187980205 437517549 /nfs/dbraw/zinc/51/75/49/437517549.db2.gz UAPXCUOCFLSDRA-INIZCTEOSA-N 0 0 329.400 0.703 10 30 ECEERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccccc2CC#N)cn1 ZINC000862922841 589974320 /nfs/dbraw/zinc/97/43/20/589974320.db2.gz JERWHXJKXOYRGW-DLBZAZTESA-N 0 0 340.383 0.991 10 30 ECEERN Cn1cnnc1C[C@@]1(O)CCCN(c2nc3ccccn3c2C#N)C1 ZINC000886065740 590789984 /nfs/dbraw/zinc/78/99/84/590789984.db2.gz SPFHRLHXOFCGGW-KRWDZBQOSA-N 0 0 337.387 0.908 10 30 ECEERN C[NH+]1CCN(c2nc(-c3ccc4c(c3)OCO4)c(C#N)c(=O)[n-]2)CC1 ZINC000223968975 609715984 /nfs/dbraw/zinc/71/59/84/609715984.db2.gz WEOHYXABBCEQGL-UHFFFAOYSA-N 0 0 339.355 0.789 10 30 ECEERN C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C ZINC000329681285 755170155 /nfs/dbraw/zinc/17/01/55/755170155.db2.gz WVAISQJDWKLFRE-QWHCGFSZSA-N 0 0 340.449 0.981 10 30 ECEERN O=C1Nc2ccccc2/C1=N\OC(=S)NC1=CCS(=O)(=O)C1 ZINC000100850979 219108645 /nfs/dbraw/zinc/10/86/45/219108645.db2.gz UPDMGYLAXACVFR-UHFFFAOYSA-N 0 0 337.382 0.546 10 30 ECEERN CC(C)(CNC(=O)c1cnn2ccncc12)N1CCS(=O)CC1 ZINC000329307132 254604300 /nfs/dbraw/zinc/60/43/00/254604300.db2.gz YZSJBJVQZNWMGN-UHFFFAOYSA-N 0 0 335.433 0.877 10 30 ECEERN CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000246006340 165120101 /nfs/dbraw/zinc/12/01/01/165120101.db2.gz HDRVACSOOFQBSZ-HOCLYGCPSA-N 0 0 340.383 0.791 10 30 ECEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171602293 227167089 /nfs/dbraw/zinc/16/70/89/227167089.db2.gz QOIPIZUNUBXXSL-OAHLLOKOSA-N 0 0 338.371 0.743 10 30 ECEERN C#CCN(CC#C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000075399073 436160227 /nfs/dbraw/zinc/16/02/27/436160227.db2.gz ODFYJXBWFZASHV-LBPRGKRZSA-N 0 0 329.381 0.209 10 30 ECEERN N#CCCN(CCC#N)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800334 436578029 /nfs/dbraw/zinc/57/80/29/436578029.db2.gz CDBZQKJQJDFPOL-UHFFFAOYSA-N 0 0 341.419 0.645 10 30 ECEERN C=CCNC(=O)[C@@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894343 436584328 /nfs/dbraw/zinc/58/43/28/436584328.db2.gz VEOSWOLCRZWTAZ-SJORKVTESA-N 0 0 347.459 0.735 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000057665605 436614485 /nfs/dbraw/zinc/61/44/85/436614485.db2.gz LKYKZDOBKALXGJ-CYBMUJFWSA-N 0 0 330.388 0.642 10 30 ECEERN N#CCOc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000171870508 436991353 /nfs/dbraw/zinc/99/13/53/436991353.db2.gz ITMUWKXNJPMLQL-CYBMUJFWSA-N 0 0 326.360 0.995 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@H]1C ZINC000172013997 436995413 /nfs/dbraw/zinc/99/54/13/436995413.db2.gz PAGGWDFRSNYWCL-CQSZACIVSA-N 0 0 344.415 0.984 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@@H]1C ZINC000178482423 437216810 /nfs/dbraw/zinc/21/68/10/437216810.db2.gz LWHWRPFPFQDWGQ-ZDUSSCGKSA-N 0 0 344.415 0.984 10 30 ECEERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ccc(C#N)nn2)CC(=O)N1C ZINC000328610426 437238744 /nfs/dbraw/zinc/23/87/44/437238744.db2.gz HUUNTYLMFRFQOK-MLGOLLRUSA-N 0 0 325.376 1.083 10 30 ECEERN C=CCNC(=O)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000181130431 437313663 /nfs/dbraw/zinc/31/36/63/437313663.db2.gz HPEFTZLYHWNUCA-UHFFFAOYSA-N 0 0 335.452 0.772 10 30 ECEERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)cc1C#N ZINC000596433878 438962850 /nfs/dbraw/zinc/96/28/50/438962850.db2.gz RWYFFILPEOVASA-UWVGGRQHSA-N 0 0 346.206 0.940 10 30 ECEERN C=CCO[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(OC)cc1 ZINC000616624936 439820577 /nfs/dbraw/zinc/82/05/77/439820577.db2.gz BBPQDNFBMQAVFL-DGADGQDISA-N 0 0 326.345 0.084 10 30 ECEERN CCN1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1nccn1C ZINC000888078628 586246200 /nfs/dbraw/zinc/24/62/00/586246200.db2.gz DLVDFPYCCZVDOP-LSDHHAIUSA-N 0 0 342.403 0.812 10 30 ECEERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)COc2ccccc2C#N)cn1 ZINC000862927017 589975163 /nfs/dbraw/zinc/97/51/63/589975163.db2.gz KMCVRZTUIUKPAF-GOEBONIOSA-N 0 0 342.355 0.633 10 30 ECEERN CS(=O)(=O)OC[C@@]12COC[C@@]1(COS(C)(=O)=O)CC=CC2 ZINC000222052696 609697037 /nfs/dbraw/zinc/69/70/37/609697037.db2.gz QSHPMPZJGFCSER-VXGBXAGGSA-N 0 0 340.419 0.292 10 30 ECEERN O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000330149284 741624558 /nfs/dbraw/zinc/62/45/58/741624558.db2.gz JYWLCTLVTCEJJR-SECBINFHSA-N 0 0 348.329 0.644 10 30 ECEERN COc1nc2ccn(CCc3cc(=O)[nH]c(C)n3)c(=O)c2cc1C#N ZINC000067755872 215204120 /nfs/dbraw/zinc/20/41/20/215204120.db2.gz DQLAWIRPTLLVHX-UHFFFAOYSA-N 0 0 337.339 0.911 10 30 ECEERN O=C(C[C@H]1CCCCNC1=O)NCCN1CCS(=O)(=O)CC1 ZINC000329240600 254602172 /nfs/dbraw/zinc/60/21/72/254602172.db2.gz MWBNURQIGONLIZ-GFCCVEGCSA-N 0 0 331.438 0.820 10 30 ECEERN CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128492639 296659311 /nfs/dbraw/zinc/65/93/11/296659311.db2.gz DNHDIVDIHKDYGN-OAHLLOKOSA-N 0 0 335.429 0.932 10 30 ECEERN COc1ccc(C(NN)=C2C(C#N)(C#N)[C@]2(C#N)C(N)=O)cc1OC ZINC000015109733 436079719 /nfs/dbraw/zinc/07/97/19/436079719.db2.gz OUFVGLXJRPNSCO-CJNGLKHVSA-N 0 0 338.327 0.025 10 30 ECEERN N#CCCn1cc(C(=O)CN2CCOC[C@H]2C(N)=O)c2ccccc21 ZINC000092228736 436468728 /nfs/dbraw/zinc/46/87/28/436468728.db2.gz AEMRRSRXHJYBRP-INIZCTEOSA-N 0 0 340.383 0.924 10 30 ECEERN N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173921393 437069263 /nfs/dbraw/zinc/06/92/63/437069263.db2.gz QMPAQKSETUKDLF-INIZCTEOSA-N 0 0 342.399 0.221 10 30 ECEERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)CCCC#N)C2=O)n(C)n1 ZINC000174040879 437072827 /nfs/dbraw/zinc/07/28/27/437072827.db2.gz GAPJUVKTJZFKRK-GFCCVEGCSA-N 0 0 339.421 0.447 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180247979 437282359 /nfs/dbraw/zinc/28/23/59/437282359.db2.gz QTNNJMMIIJMVCM-YOEHRIQHSA-N 0 0 341.411 0.786 10 30 ECEERN C=C(C)CS(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000192024114 437661937 /nfs/dbraw/zinc/66/19/37/437661937.db2.gz VFPRTRVUGFJACZ-GFCCVEGCSA-N 0 0 326.422 0.719 10 30 ECEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000370185023 438558239 /nfs/dbraw/zinc/55/82/39/438558239.db2.gz PWYVEOMNHCLPMI-KBPBESRZSA-N 0 0 330.454 0.119 10 30 ECEERN C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCC2 ZINC000131117235 534016390 /nfs/dbraw/zinc/01/63/90/534016390.db2.gz JDCCKXDDCLKEHT-VIFPVBQESA-N 0 0 329.364 0.057 10 30 ECEERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)CC2 ZINC000181725772 528476139 /nfs/dbraw/zinc/47/61/39/528476139.db2.gz QVDPBKINIVDWIH-LBPRGKRZSA-N 0 0 346.416 0.961 10 30 ECEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000374416126 254749539 /nfs/dbraw/zinc/74/95/39/254749539.db2.gz PMFPQSQXVHPMLQ-RBSFLKMASA-N 0 0 344.481 0.365 10 30 ECEERN N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1 ZINC000194862355 165071677 /nfs/dbraw/zinc/07/16/77/165071677.db2.gz NNENNUDWSCHBHI-MRXNPFEDSA-N 0 0 326.400 0.729 10 30 ECEERN C=CCNC(=O)[C@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000030591879 436220460 /nfs/dbraw/zinc/22/04/60/436220460.db2.gz FTNLJDYTMPHSCY-ZDUSSCGKSA-N 0 0 329.408 0.245 10 30 ECEERN Cc1nn(C)c(Cl)c1S(=O)(=O)O/N=C1/C(=O)N(C)N=C1C ZINC000033380863 436253524 /nfs/dbraw/zinc/25/35/24/436253524.db2.gz DXNHBQKGGRCOJN-VGOFMYFVSA-N 0 0 333.757 0.291 10 30 ECEERN CCN(CCC#N)C(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893848 436584762 /nfs/dbraw/zinc/58/47/62/436584762.db2.gz QXYBMXOIYBHQSD-MRXNPFEDSA-N 0 0 333.436 0.963 10 30 ECEERN N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)nc1 ZINC000121603940 436720741 /nfs/dbraw/zinc/72/07/41/436720741.db2.gz OCXRQIACVKEYHK-IYXRBSQSSA-N 0 0 328.372 0.896 10 30 ECEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1nnc2n1CCCC2 ZINC000121745511 436723271 /nfs/dbraw/zinc/72/32/71/436723271.db2.gz UABCKGLBNFWROU-SNVBAGLBSA-N 0 0 332.389 0.921 10 30 ECEERN N#Cc1ccc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000172350271 437010767 /nfs/dbraw/zinc/01/07/67/437010767.db2.gz NWZLMUJYRKTCCF-UHFFFAOYSA-N 0 0 347.382 0.887 10 30 ECEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1 ZINC000174732623 437088084 /nfs/dbraw/zinc/08/80/84/437088084.db2.gz BGNGKCUBGNOFMR-CYBMUJFWSA-N 0 0 328.372 0.932 10 30 ECEERN N#Cc1ccc(OCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000175116849 437096470 /nfs/dbraw/zinc/09/64/70/437096470.db2.gz QXYFYBMEVWKYJW-CYBMUJFWSA-N 0 0 326.360 0.843 10 30 ECEERN Cc1conc1NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328629711 437241966 /nfs/dbraw/zinc/24/19/66/437241966.db2.gz IODAQONKPYIMTR-LLVKDONJSA-N 0 0 332.364 1.072 10 30 ECEERN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179169705 437253833 /nfs/dbraw/zinc/25/38/33/437253833.db2.gz GIIDTQBKWZQKLL-CABCVRRESA-N 0 0 341.371 0.110 10 30 ECEERN C[C@@H](C#N)CNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000182869191 437366084 /nfs/dbraw/zinc/36/60/84/437366084.db2.gz QVPLJDNSGIXWCO-HOTGVXAUSA-N 0 0 346.431 0.913 10 30 ECEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000186331119 437469984 /nfs/dbraw/zinc/46/99/84/437469984.db2.gz VZWFOMLOHXOYOJ-STQMWFEESA-N 0 0 334.424 0.723 10 30 ECEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000367108951 438167197 /nfs/dbraw/zinc/16/71/97/438167197.db2.gz SFJSOGXIEIBCQO-GHMZBOCLSA-N 0 0 330.435 0.853 10 30 ECEERN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1C#N ZINC000174629300 231261131 /nfs/dbraw/zinc/26/11/31/231261131.db2.gz CLBWOKDSWDVDAZ-CYBMUJFWSA-N 0 0 330.388 0.642 10 30 ECEERN CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O)[C@H](O)[C@@H]1O ZINC000100035186 219088980 /nfs/dbraw/zinc/08/89/80/219088980.db2.gz XPIVOYOQXKNYHA-MRTXSQPYSA-N 0 0 335.397 0.137 10 30 ECEERN C[C@]1(NC(=O)O/N=C2\c3ccccc3NC2=O)CCS(=O)(=O)C1 ZINC000040168575 213278126 /nfs/dbraw/zinc/27/81/26/213278126.db2.gz VSSQMLNMMLWNHC-AWEZNQCLSA-N 0 0 337.357 0.646 10 30 ECEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188016840 236386199 /nfs/dbraw/zinc/38/61/99/236386199.db2.gz SYJQRMUYWJBMQW-UHFFFAOYSA-N 0 0 344.346 0.763 10 30 ECEERN CN(C)C1(C#N)CCN(C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000333020903 254656866 /nfs/dbraw/zinc/65/68/66/254656866.db2.gz IXYPORKNPWZNHC-UHFFFAOYSA-N 0 0 335.452 0.481 10 30 ECEERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000177636656 164907990 /nfs/dbraw/zinc/90/79/90/164907990.db2.gz QNKMEHLOIIGLQA-ZDUSSCGKSA-N 0 0 338.371 0.782 10 30 ECEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000152082108 294885720 /nfs/dbraw/zinc/88/57/20/294885720.db2.gz ITGVCLBOMIYYBU-AWEZNQCLSA-N 0 0 339.392 0.793 10 30 ECEERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1C[C@H](C)O ZINC000246920273 436787411 /nfs/dbraw/zinc/78/74/11/436787411.db2.gz GNEHMMNCHNCDEE-BBRMVZONSA-N 0 0 344.415 0.800 10 30 ECEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000135981337 436926035 /nfs/dbraw/zinc/92/60/35/436926035.db2.gz KIEVMQPZAJIEIG-GFCCVEGCSA-N 0 0 332.335 0.763 10 30 ECEERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180246603 437282640 /nfs/dbraw/zinc/28/26/40/437282640.db2.gz WSZKDAIVDSWMLV-CJNGLKHVSA-N 0 0 342.399 0.676 10 30 ECEERN CN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccccc1 ZINC000373049637 438124708 /nfs/dbraw/zinc/12/47/08/438124708.db2.gz PMMFHKARFLYONF-IMJJTQAJSA-N 0 0 329.356 0.336 10 30 ECEERN Cc1cc(C#N)nc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)n1 ZINC000368550443 438344116 /nfs/dbraw/zinc/34/41/16/438344116.db2.gz HCCWIOCKCBHUEM-WFASDCNBSA-N 0 0 329.383 1.415 10 30 ECEERN C=CCO[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(OC)cc1 ZINC000616624940 439820714 /nfs/dbraw/zinc/82/07/14/439820714.db2.gz BBPQDNFBMQAVFL-YIDVYQOGSA-N 0 0 326.345 0.084 10 30 ECEERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3ccc(Cl)c(C#N)n3)C2)C1 ZINC000888099100 586350416 /nfs/dbraw/zinc/35/04/16/586350416.db2.gz RUSADOSLYZUALU-SECBINFHSA-N 0 0 333.779 0.390 10 30 ECEERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C#N)CC1 ZINC000125576244 590329294 /nfs/dbraw/zinc/32/92/94/590329294.db2.gz OFKHWWGNNUOSJE-LLVKDONJSA-N 0 0 346.412 0.876 10 30 ECEERN C=CCNC(=O)CCn1c2ccccc2nc(N2CCOCC2)c1=O ZINC000222918272 609705912 /nfs/dbraw/zinc/70/59/12/609705912.db2.gz UKJNDXQHXNLSLT-UHFFFAOYSA-N 0 0 342.399 0.925 10 30 ECEERN COCCN(CCOC)c1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-] ZINC000040617889 213359993 /nfs/dbraw/zinc/35/99/93/213359993.db2.gz NNOLCJBUYIATSM-UHFFFAOYSA-N 0 0 349.351 0.338 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000117522850 221073853 /nfs/dbraw/zinc/07/38/53/221073853.db2.gz BLARTLSLZHZYFF-GFCCVEGCSA-N 0 0 348.378 0.815 10 30 ECEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188921228 165004360 /nfs/dbraw/zinc/00/43/60/165004360.db2.gz JMRZLESNOFFIBZ-LBPRGKRZSA-N 0 0 330.388 0.533 10 30 ECEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1N1CCOCC1 ZINC000246489518 165136013 /nfs/dbraw/zinc/13/60/13/165136013.db2.gz MCHHVCWTLJZOJS-SWLSCSKDSA-N 0 0 336.417 0.294 10 30 ECEERN CCN1C(=O)[C@@H]2[C@H](C(=O)OC)N[C@H](c3cccc(C#N)c3)[C@H]2C1=O ZINC000504170927 270007920 /nfs/dbraw/zinc/00/79/20/270007920.db2.gz XXHFOWTWXNOBRK-IGQOVBAYSA-N 0 0 327.340 0.365 10 30 ECEERN Cc1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C#N)c(C)n1 ZINC000301754460 267337888 /nfs/dbraw/zinc/33/78/88/267337888.db2.gz CMMMYIMNEGNGFB-UHFFFAOYSA-N 0 0 327.388 0.497 10 30 ECEERN C=CCNC(=O)[C@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894341 436584567 /nfs/dbraw/zinc/58/45/67/436584567.db2.gz VEOSWOLCRZWTAZ-IRXDYDNUSA-N 0 0 347.459 0.735 10 30 ECEERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)CCCC#N)CC2)n1 ZINC000112093328 436632624 /nfs/dbraw/zinc/63/26/24/436632624.db2.gz ATWGRFKMPYITAQ-LBPRGKRZSA-N 0 0 341.437 0.944 10 30 ECEERN C=CCCS(=O)(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000120578686 436693800 /nfs/dbraw/zinc/69/38/00/436693800.db2.gz YNRVVBKQXKSQJD-UHFFFAOYSA-N 0 0 326.422 0.903 10 30 ECEERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000151822317 436712377 /nfs/dbraw/zinc/71/23/77/436712377.db2.gz QQPWVOFJYCVRHQ-CYBMUJFWSA-N 0 0 325.365 0.987 10 30 ECEERN C#CCOC(=O)c1cc(N)ccc1N1CCN(S(C)(=O)=O)CC1 ZINC000226280459 436713229 /nfs/dbraw/zinc/71/32/29/436713229.db2.gz NWWNHDCKRZLWFL-UHFFFAOYSA-N 0 0 337.401 0.140 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C ZINC000246147276 436773064 /nfs/dbraw/zinc/77/30/64/436773064.db2.gz OMFPNRZBMOXHAF-NEPJUHHUSA-N 0 0 348.378 0.549 10 30 ECEERN CN(c1nn(-c2ccc(F)cc2)nc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000256047331 436855614 /nfs/dbraw/zinc/85/56/14/436855614.db2.gz LXSXSACWSSVBRN-LBPRGKRZSA-N 0 0 335.364 0.901 10 30 ECEERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C#N)nc1 ZINC000268435011 437416026 /nfs/dbraw/zinc/41/60/26/437416026.db2.gz BOGJMGPJHSOWPJ-GFCCVEGCSA-N 0 0 348.388 0.505 10 30 ECEERN C=CCO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000575169847 438741304 /nfs/dbraw/zinc/74/13/04/438741304.db2.gz RZNDVHTWHYQMRO-ZXXIGWHRSA-N 0 0 349.383 0.894 10 30 ECEERN N#Cc1ccc(N2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1Cl ZINC000886080228 590792707 /nfs/dbraw/zinc/79/27/07/590792707.db2.gz QRCXSVKIDAWNON-MRXNPFEDSA-N 0 0 334.807 0.978 10 30 ECEERN COc1cc(C#N)ccc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886093338 590794281 /nfs/dbraw/zinc/79/42/81/590794281.db2.gz BJBJJCIJFKUKKL-SFHVURJKSA-N 0 0 344.415 0.329 10 30 ECEERN C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C ZINC000329681286 741543222 /nfs/dbraw/zinc/54/32/22/741543222.db2.gz WVAISQJDWKLFRE-STQMWFEESA-N 0 0 340.449 0.981 10 30 ECEERN N#Cc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)nn1 ZINC000301911557 268121018 /nfs/dbraw/zinc/12/10/18/268121018.db2.gz GQERJMAJLIWCKA-UHFFFAOYSA-N 0 0 333.359 0.651 10 30 ECEERN CCCCCCCCCC(=O)N(C)C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000100056658 436546482 /nfs/dbraw/zinc/54/64/82/436546482.db2.gz UMWKZHPREXJQGR-OHFALNGGSA-N 0 0 349.468 0.021 10 30 ECEERN C=C(C)CN(CC)C(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816948 436580754 /nfs/dbraw/zinc/58/07/54/436580754.db2.gz QECIGUZDUYUZMB-UHFFFAOYSA-N 0 0 343.435 0.671 10 30 ECEERN C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2c1CC(=O)N2 ZINC000116375637 436649687 /nfs/dbraw/zinc/64/96/87/436649687.db2.gz FIQMDRYZOUHVEZ-PWSUYJOCSA-N 0 0 328.376 0.558 10 30 ECEERN C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(C)cn2)c1 ZINC000117816637 436658297 /nfs/dbraw/zinc/65/82/97/436658297.db2.gz WUXUTMFHLAVVBG-UHFFFAOYSA-N 0 0 346.412 0.533 10 30 ECEERN C=CCNc1ncc(C(=O)NC[C@@H](O)CN2CCOCC2)s1 ZINC000135572806 436918911 /nfs/dbraw/zinc/91/89/11/436918911.db2.gz PSZJGGPGPSQHJQ-LLVKDONJSA-N 0 0 326.422 0.164 10 30 ECEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174000636 437072633 /nfs/dbraw/zinc/07/26/33/437072633.db2.gz BDWXZBUANIHABX-HNNXBMFYSA-N 0 0 335.429 0.962 10 30 ECEERN C#CCNC(=O)CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000302723930 437149219 /nfs/dbraw/zinc/14/92/19/437149219.db2.gz IVUHAXJBVLMUNU-UHFFFAOYSA-N 0 0 335.307 0.514 10 30 ECEERN N#Cc1c(N)sc2c1CCN(c1ncc(S(N)(=O)=O)s1)C2 ZINC000301525574 437124577 /nfs/dbraw/zinc/12/45/77/437124577.db2.gz NCSLAQDUVMPCON-UHFFFAOYSA-N 0 0 341.443 0.869 10 30 ECEERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cc1C#N ZINC000596433882 438962351 /nfs/dbraw/zinc/96/23/51/438962351.db2.gz RWYFFILPEOVASA-ZJUUUORDSA-N 0 0 346.206 0.940 10 30 ECEERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3nccc(C#N)c3Cl)C2)C1 ZINC000888098591 586350027 /nfs/dbraw/zinc/35/00/27/586350027.db2.gz ISUZHBIBGOMOHE-SNVBAGLBSA-N 0 0 333.779 0.390 10 30 ECEERN Cc1cc(C#N)ccc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886096479 590795719 /nfs/dbraw/zinc/79/57/19/590795719.db2.gz JFCYOMSLAAMUJO-GOSISDBHSA-N 0 0 342.399 0.269 10 30 ECEERN N#CCn1nc2n(c1=O)CCN(C(=O)NCCc1ccccc1)CC2 ZINC000169783151 609746990 /nfs/dbraw/zinc/74/69/90/609746990.db2.gz JGUISIFYGYBWQG-UHFFFAOYSA-N 0 0 340.387 0.379 10 30 ECEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)CC2 ZINC000114874152 201072235 /nfs/dbraw/zinc/07/22/35/201072235.db2.gz AUOYZVNKQPUWJF-LLVKDONJSA-N 0 0 332.389 0.400 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247080045 205257804 /nfs/dbraw/zinc/25/78/04/205257804.db2.gz GZHMJJVEXGZVNU-HUUCEWRRSA-N 0 0 349.435 0.601 10 30 ECEERN CC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000102936837 206389221 /nfs/dbraw/zinc/38/92/21/206389221.db2.gz HDRVACSOOFQBSZ-GOEBONIOSA-N 0 0 340.383 0.791 10 30 ECEERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)N1CCOCC1 ZINC000175947965 207175504 /nfs/dbraw/zinc/17/55/04/207175504.db2.gz MWKXTKUEJHCGPH-NSHDSACASA-N 0 0 334.351 0.473 10 30 ECEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000374416125 285049570 /nfs/dbraw/zinc/04/95/70/285049570.db2.gz PMFPQSQXVHPMLQ-QLFBSQMISA-N 0 0 344.481 0.365 10 30 ECEERN CC(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)[C@H](C#N)C1 ZINC000328792493 254591990 /nfs/dbraw/zinc/59/19/90/254591990.db2.gz ZTSPOTKGALWQGY-CQSZACIVSA-N 0 0 345.451 0.814 10 30 ECEERN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000174009612 164865882 /nfs/dbraw/zinc/86/58/82/164865882.db2.gz XYLWCOAQYSFSNY-HNNXBMFYSA-N 0 0 328.372 0.430 10 30 ECEERN Cc1nc(CN2CCCN(C(=O)c3cc(C#N)cn3C)CC2)no1 ZINC000176049763 164887676 /nfs/dbraw/zinc/88/76/76/164887676.db2.gz OVEBSSLIIPGOER-UHFFFAOYSA-N 0 0 328.376 0.936 10 30 ECEERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000246006343 165120512 /nfs/dbraw/zinc/12/05/12/165120512.db2.gz HDRVACSOOFQBSZ-ZBFHGGJFSA-N 0 0 340.383 0.791 10 30 ECEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000329644525 300377699 /nfs/dbraw/zinc/37/76/99/300377699.db2.gz IKHGFLICNYNOIP-YNEHKIRRSA-N 0 0 346.449 0.603 10 30 ECEERN C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000077138667 436226827 /nfs/dbraw/zinc/22/68/27/436226827.db2.gz YYTQOONIYGONOS-CHWSQXEVSA-N 0 0 336.413 0.848 10 30 ECEERN CCCCCCCCCC(=O)N(C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000100056661 436546716 /nfs/dbraw/zinc/54/67/16/436546716.db2.gz UMWKZHPREXJQGR-WTTBNOFXSA-N 0 0 349.468 0.021 10 30 ECEERN N#CCCN(CCC#N)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105890681 436585162 /nfs/dbraw/zinc/58/51/62/436585162.db2.gz OEVRDNRPPSYROB-OAHLLOKOSA-N 0 0 330.392 0.240 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000117522275 436658694 /nfs/dbraw/zinc/65/86/94/436658694.db2.gz WRFDHEDNGZNIEZ-CQSZACIVSA-N 0 0 329.400 0.786 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248699215 436809539 /nfs/dbraw/zinc/80/95/39/436809539.db2.gz DSPSFRUNASYWSQ-TZMCWYRMSA-N 0 0 335.408 0.677 10 30 ECEERN COc1ccc(-n2nc(C#N)c(N(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000256047595 436856141 /nfs/dbraw/zinc/85/61/41/436856141.db2.gz NGZBSUUSEXEOQD-GFCCVEGCSA-N 0 0 347.400 0.771 10 30 ECEERN C=CCNc1ncc(C(=O)NC[C@H](O)CN2CCOCC2)s1 ZINC000135572789 436919468 /nfs/dbraw/zinc/91/94/68/436919468.db2.gz PSZJGGPGPSQHJQ-NSHDSACASA-N 0 0 326.422 0.164 10 30 ECEERN C#CCNC(=O)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000302736967 437148696 /nfs/dbraw/zinc/14/86/96/437148696.db2.gz PIIBIUGIYAJDRO-UHFFFAOYSA-N 0 0 330.344 0.992 10 30 ECEERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000180301852 437286109 /nfs/dbraw/zinc/28/61/09/437286109.db2.gz IMWASHUHLVNINF-AWEZNQCLSA-N 0 0 341.408 0.775 10 30 ECEERN Cn1c(=O)c(C#N)c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)n(C)c1=O ZINC000186150999 437462459 /nfs/dbraw/zinc/46/24/59/437462459.db2.gz CGOCXDXXZCKGJC-AAEUAGOBSA-N 0 0 346.412 0.229 10 30 ECEERN N#Cc1ccccc1OCCN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886079667 590791608 /nfs/dbraw/zinc/79/16/08/590791608.db2.gz HRMLTOOADNSCSB-GOSISDBHSA-N 0 0 344.415 0.199 10 30 ECEERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000187332640 529901571 /nfs/dbraw/zinc/90/15/71/529901571.db2.gz NAIMKZQISFMNFN-LBPRGKRZSA-N 0 0 334.763 0.887 10 30 ECEERN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2n[nH]cc2C#N)c1=O ZINC000072465552 203229321 /nfs/dbraw/zinc/22/93/21/203229321.db2.gz RNSBSTGCLJMXNF-UHFFFAOYSA-N 0 0 349.310 0.723 10 30 ECEERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000180246653 207751231 /nfs/dbraw/zinc/75/12/31/207751231.db2.gz WSZKDAIVDSWMLV-XJKSGUPXSA-N 0 0 342.399 0.676 10 30 ECEERN O=C(NC[C@@H]1CC[C@@H](O)C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329310902 254604203 /nfs/dbraw/zinc/60/42/03/254604203.db2.gz FZVBGJJGCIPEPU-YIYPIFLZSA-N 0 0 326.393 0.510 10 30 ECEERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C1(O)CCOCC1 ZINC000330012686 254625140 /nfs/dbraw/zinc/62/51/40/254625140.db2.gz KZIRGCCLDFULMM-UHFFFAOYSA-N 0 0 339.436 0.429 10 30 ECEERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)CC2 ZINC000159380575 164799201 /nfs/dbraw/zinc/79/92/01/164799201.db2.gz TWHAVRJMNFHZOT-GFCCVEGCSA-N 0 0 346.416 0.961 10 30 ECEERN CCN1C(=O)[C@@H]2[C@H](C(=O)OC)N[C@@H](c3cccc(C#N)c3)[C@H]2C1=O ZINC000504170929 270007889 /nfs/dbraw/zinc/00/78/89/270007889.db2.gz XXHFOWTWXNOBRK-XDQVBPFNSA-N 0 0 327.340 0.365 10 30 ECEERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000189478488 437603204 /nfs/dbraw/zinc/60/32/04/437603204.db2.gz MFQLNNWSFCQSEJ-OAHLLOKOSA-N 0 0 344.415 0.720 10 30 ECEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329416677 280390698 /nfs/dbraw/zinc/39/06/98/280390698.db2.gz FUZAHBJERYYPMB-YNEHKIRRSA-N 0 0 346.449 0.650 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806980 436577283 /nfs/dbraw/zinc/57/72/83/436577283.db2.gz RWIJSMRBHFXWAK-CYBMUJFWSA-N 0 0 346.435 0.778 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869742 436583013 /nfs/dbraw/zinc/58/30/13/436583013.db2.gz IBWGTFBBQMOKKP-AWEZNQCLSA-N 0 0 348.451 0.328 10 30 ECEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000137136209 436655878 /nfs/dbraw/zinc/65/58/78/436655878.db2.gz TXLIDEDITBLXFQ-OAHLLOKOSA-N 0 0 339.351 0.891 10 30 ECEERN COCCN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000117424971 436656797 /nfs/dbraw/zinc/65/67/97/436656797.db2.gz JYUFNSSIVLFBDY-AWEZNQCLSA-N 0 0 344.415 0.467 10 30 ECEERN C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1N1CCOCC1 ZINC000121681904 436722875 /nfs/dbraw/zinc/72/28/75/436722875.db2.gz MMSMYFMFMINPIB-GDBMZVCRSA-N 0 0 342.395 0.946 10 30 ECEERN O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)CCC2=O)CC1 ZINC000136615223 436933003 /nfs/dbraw/zinc/93/30/03/436933003.db2.gz MGIXNMBGXVGIIJ-UHFFFAOYSA-N 0 0 336.344 0.549 10 30 ECEERN N#CCCN(CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000172623641 437022608 /nfs/dbraw/zinc/02/26/08/437022608.db2.gz UEQDPBDQFMSHLM-ZDUSSCGKSA-N 0 0 326.356 0.773 10 30 ECEERN C#CCNC(=O)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301222836 437118490 /nfs/dbraw/zinc/11/84/90/437118490.db2.gz BOGAYOQIAZOHLU-UHFFFAOYSA-N 0 0 347.299 0.752 10 30 ECEERN N#Cc1cccc(CS(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186173770 437462980 /nfs/dbraw/zinc/46/29/80/437462980.db2.gz NBFZAHPZUCVDRK-UHFFFAOYSA-N 0 0 333.413 0.989 10 30 ECEERN C=CCCS(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178356612 527418750 /nfs/dbraw/zinc/41/87/50/527418750.db2.gz LTFYPVQEMSMLDM-LBPRGKRZSA-N 0 0 326.422 0.719 10 30 ECEERN CCN1C(=O)CO[C@@H](CNC(=O)C#CC(C)(C)C)[C@@H]1c1nccn1C ZINC000886027147 590786905 /nfs/dbraw/zinc/78/69/05/590786905.db2.gz JIEQUGXPJAQSMC-XJKSGUPXSA-N 0 0 346.431 0.874 10 30 ECEERN N#Cc1cc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886081947 590792948 /nfs/dbraw/zinc/79/29/48/590792948.db2.gz JRTKUVTZUNXXFR-QGZVFWFLSA-N 0 0 332.379 0.459 10 30 ECEERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000886095215 590794574 /nfs/dbraw/zinc/79/45/74/590794574.db2.gz OAIHNBBHSMMCED-GOSISDBHSA-N 0 0 339.399 0.825 10 30 ECEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C(=O)NC)C(C)C)c1 ZINC000178423372 608783836 /nfs/dbraw/zinc/78/38/36/608783836.db2.gz LRMHUTMBEAQNCZ-HNNXBMFYSA-N 0 0 330.388 0.676 10 30 ECEERN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)N1CCOCC1 ZINC000330045678 254626286 /nfs/dbraw/zinc/62/62/86/254626286.db2.gz IGKZOSSQBXOBFO-CHWSQXEVSA-N 0 0 335.408 0.593 10 30 ECEERN C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCC2 ZINC000131117451 533549810 /nfs/dbraw/zinc/54/98/10/533549810.db2.gz JDCCKXDDCLKEHT-SECBINFHSA-N 0 0 329.364 0.057 10 30 ECEERN N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000194862375 165072016 /nfs/dbraw/zinc/07/20/16/165072016.db2.gz NNENNUDWSCHBHI-INIZCTEOSA-N 0 0 326.400 0.729 10 30 ECEERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077540163 436242441 /nfs/dbraw/zinc/24/24/41/436242441.db2.gz BIYYWVZKAUPIGD-ZDUSSCGKSA-N 0 0 332.335 0.763 10 30 ECEERN C=CCN1CC[C@@]23c4c5c(O)ccc4[C@H](O)[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000077300762 436230933 /nfs/dbraw/zinc/23/09/33/436230933.db2.gz INQPEYLRYLSPCY-YCVVXREPSA-N 0 0 343.379 0.792 10 30 in-vitro ECEERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)CCCC#N)CCO2)n1 ZINC000111344823 436630088 /nfs/dbraw/zinc/63/00/88/436630088.db2.gz FVCXGFJUGQSLLW-CQSZACIVSA-N 0 0 326.422 0.834 10 30 ECEERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CCCCC#N)CCO2)c1 ZINC000112094048 436632340 /nfs/dbraw/zinc/63/23/40/436632340.db2.gz IVISZOKJMUIFOP-CQSZACIVSA-N 0 0 326.422 0.916 10 30 ECEERN CC#CCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000154401675 436777713 /nfs/dbraw/zinc/77/77/13/436777713.db2.gz KHHYDAIFHUNQFV-AWEZNQCLSA-N 0 0 333.413 0.889 10 30 ECEERN COc1ccccc1-n1nc(C#N)c(N(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000256046320 436855187 /nfs/dbraw/zinc/85/51/87/436855187.db2.gz FGCPUFUCBLMWJD-NSHDSACASA-N 0 0 347.400 0.771 10 30 ECEERN C#CCOCCC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000131831043 436856897 /nfs/dbraw/zinc/85/68/97/436856897.db2.gz WXYXCYIYDPHFKG-KRWDZBQOSA-N 0 0 337.464 0.280 10 30 ECEERN N#CCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000171870512 436992753 /nfs/dbraw/zinc/99/27/53/436992753.db2.gz ITMUWKXNJPMLQL-ZDUSSCGKSA-N 0 0 326.360 0.995 10 30 ECEERN Cc1nnc([C@H]2CN(CC(=O)NC3(C#N)CCCCC3)CCO2)[nH]1 ZINC000173673343 437060704 /nfs/dbraw/zinc/06/07/04/437060704.db2.gz YECBGEKUWYZKIN-CYBMUJFWSA-N 0 0 332.408 0.829 10 30 ECEERN N#CC1(c2ccc(C(=O)NC[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000179844468 303147149 /nfs/dbraw/zinc/14/71/49/303147149.db2.gz AMMNEUWHMSBBNF-INIZCTEOSA-N 0 0 329.400 0.665 10 30 ECEERN COC(=O)C1=C[C@H](OS(C)(=O)=O)CN(Cc2ccccc2)C1 ZINC000309973309 437170558 /nfs/dbraw/zinc/17/05/58/437170558.db2.gz PBYOGEPAIGEEBF-AWEZNQCLSA-N 0 0 325.386 0.946 10 30 ECEERN O=c1[nH]ccnc1N1CCC[C@H](NC([O-])=[NH+]CCn2cccn2)C1 ZINC000328626612 437241787 /nfs/dbraw/zinc/24/17/87/437241787.db2.gz FFZYRBCXABOMNK-LBPRGKRZSA-N 0 0 331.380 0.551 10 30 ECEERN C=CCNC(=O)CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000181243704 437315690 /nfs/dbraw/zinc/31/56/90/437315690.db2.gz LYKWVNTXVFRTSV-UHFFFAOYSA-N 0 0 343.387 0.962 10 30 ECEERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000180301873 437287832 /nfs/dbraw/zinc/28/78/32/437287832.db2.gz IMWASHUHLVNINF-CQSZACIVSA-N 0 0 341.408 0.775 10 30 ECEERN O=C(NC[C@@H]1CC[C@H](O)C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329310905 437351407 /nfs/dbraw/zinc/35/14/07/437351407.db2.gz FZVBGJJGCIPEPU-ZOBORPQBSA-N 0 0 326.393 0.510 10 30 ECEERN C[C@@H](OS(C)(=O)=O)[C@@H](NC(=O)OCc1ccccc1)C(N)=O ZINC000022051139 525916662 /nfs/dbraw/zinc/91/66/62/525916662.db2.gz FKFRPOGPNHJBGP-MWLCHTKSSA-N 0 0 330.362 0.131 10 30 ECEERN Cc1cc(C#N)ccc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886096480 590795871 /nfs/dbraw/zinc/79/58/71/590795871.db2.gz JFCYOMSLAAMUJO-SFHVURJKSA-N 0 0 342.399 0.269 10 30 ECEERN CS(=O)(=O)N1CC(C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000908362103 609651805 /nfs/dbraw/zinc/65/18/05/609651805.db2.gz UGGVKMPWMUPHLV-HIFRSBDPSA-N 0 0 333.413 0.644 10 30 ECEERN CS(=O)(=O)OC[C@]12COC[C@]1(COS(C)(=O)=O)CC=CC2 ZINC000222052757 609697186 /nfs/dbraw/zinc/69/71/86/609697186.db2.gz QSHPMPZJGFCSER-RYUDHWBXSA-N 0 0 340.419 0.292 10 30 ECEERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C#N ZINC000195444389 612427512 /nfs/dbraw/zinc/42/75/12/612427512.db2.gz CVLRFGGDMSQWIY-MFKMUULPSA-N 0 0 334.401 0.778 10 30 ECEERN N#Cc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)cc1 ZINC000185935921 235791326 /nfs/dbraw/zinc/79/13/26/235791326.db2.gz JOKFNDLCXDNVSV-MRXNPFEDSA-N 0 0 329.400 0.898 10 30 ECEERN Cc1noc([C@]2(O)CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)n1 ZINC000275352578 201280752 /nfs/dbraw/zinc/28/07/52/201280752.db2.gz UHQSKACWGAPIRG-HNNXBMFYSA-N 0 0 348.384 0.673 10 30 ECEERN CCCCCCCCO[C@@H]1O[C@H](CCO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000100053784 203988966 /nfs/dbraw/zinc/98/89/66/203988966.db2.gz HZYOCVKSHSTUTF-WRQOLXDDSA-N 0 0 347.452 0.697 10 30 ECEERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1C[C@@H](C)O ZINC000177611628 207362181 /nfs/dbraw/zinc/36/21/81/207362181.db2.gz NJLZKVVPCOWPJW-CJNGLKHVSA-N 0 0 344.415 0.800 10 30 ECEERN Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@@H]2CC[C@@H](O)C2)CCC(=O)N1C ZINC000329532993 254610311 /nfs/dbraw/zinc/61/03/11/254610311.db2.gz XQCOCVWTIKVRPF-BRXULGCHSA-N 0 0 349.435 0.747 10 30 ECEERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000177636644 164907893 /nfs/dbraw/zinc/90/78/93/164907893.db2.gz QNKMEHLOIIGLQA-CYBMUJFWSA-N 0 0 338.371 0.782 10 30 ECEERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000285017764 264269284 /nfs/dbraw/zinc/26/92/84/264269284.db2.gz MFRQIDSTTYVIJC-WDEREUQCSA-N 0 0 330.793 0.982 10 30 ECEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC3(CO)COC3)C2)n1 ZINC000333451383 267372863 /nfs/dbraw/zinc/37/28/63/267372863.db2.gz NRSZQWRYXVFHHW-OAHLLOKOSA-N 0 0 344.415 0.603 10 30 ECEERN Cn1c(N[C@H](CO)c2ccc(Cl)cc2)c(C#N)c(=O)n(C)c1=O ZINC000092961012 436479706 /nfs/dbraw/zinc/47/97/06/436479706.db2.gz GMTULIYEUSGSOW-GFCCVEGCSA-N 0 0 334.763 0.755 10 30 ECEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869256 436583957 /nfs/dbraw/zinc/58/39/57/436583957.db2.gz FIPAMLDJTVKIQW-SFHVURJKSA-N 0 0 346.479 0.982 10 30 ECEERN C#CCNC(=O)[C@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894363 436584713 /nfs/dbraw/zinc/58/47/13/436584713.db2.gz LATLMLZQFJXXIQ-IRXDYDNUSA-N 0 0 345.443 0.182 10 30 ECEERN C#CC[NH+]1CCC(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1 ZINC000112069131 436632457 /nfs/dbraw/zinc/63/24/57/436632457.db2.gz ITOFGSJZLFHKSI-KRWDZBQOSA-N 0 0 330.432 0.764 10 30 ECEERN C=CCCS(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000121073000 436706633 /nfs/dbraw/zinc/70/66/33/436706633.db2.gz AIIWCZHUHICFND-LBPRGKRZSA-N 0 0 325.438 0.983 10 30 ECEERN O=C(ON1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000145553412 436677327 /nfs/dbraw/zinc/67/73/27/436677327.db2.gz JFQRNYVGSBDQOQ-UHFFFAOYSA-N 0 0 331.328 0.645 10 30 ECEERN C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1N1CCOCC1 ZINC000125857803 436778853 /nfs/dbraw/zinc/77/88/53/436778853.db2.gz MLJHYHQJYGXEJK-ZFWWWQNUSA-N 0 0 335.429 0.899 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000246818563 436786037 /nfs/dbraw/zinc/78/60/37/436786037.db2.gz AKUDDLMVOKOKAL-STQMWFEESA-N 0 0 330.388 0.410 10 30 ECEERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000129265483 436824851 /nfs/dbraw/zinc/82/48/51/436824851.db2.gz YQSMVNWEUALOMP-CQSZACIVSA-N 0 0 346.435 0.972 10 30 ECEERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000135981368 436926026 /nfs/dbraw/zinc/92/60/26/436926026.db2.gz KIEVMQPZAJIEIG-LBPRGKRZSA-N 0 0 332.335 0.763 10 30 ECEERN CCc1nnc([C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)[nH]1 ZINC000165740456 436935777 /nfs/dbraw/zinc/93/57/77/436935777.db2.gz XRVZUGJSNOLUIS-JTQLQIEISA-N 0 0 325.394 0.374 10 30 ECEERN N#CC1(CS(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000165550005 436935818 /nfs/dbraw/zinc/93/58/18/436935818.db2.gz QLYQRNXRDGOODZ-MRXNPFEDSA-N 0 0 349.456 0.971 10 30 ECEERN Cc1nc(CN2CCCN(S(=O)(=O)CCCC#N)CC2)no1 ZINC000173824384 437066058 /nfs/dbraw/zinc/06/60/58/437066058.db2.gz PPXGFFWZYGPHON-UHFFFAOYSA-N 0 0 327.410 0.519 10 30 ECEERN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC000301929891 437137505 /nfs/dbraw/zinc/13/75/05/437137505.db2.gz NZDITOSKKMEFNB-UHFFFAOYSA-N 0 0 348.388 0.464 10 30 ECEERN CCN1CCN(C(=O)NCc2cnn(C)c2)C[C@H]1c1nccn1C ZINC000328621203 437242029 /nfs/dbraw/zinc/24/20/29/437242029.db2.gz HOCSFOKABUTIPD-AWEZNQCLSA-N 0 0 331.424 0.946 10 30 ECEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000184998923 437420113 /nfs/dbraw/zinc/42/01/13/437420113.db2.gz GNWJSWSJXDVGPN-ZDUSSCGKSA-N 0 0 339.355 0.880 10 30 ECEERN C[C@@H](O)CN(C[C@@H](C)O)c1ccc(N=NCc2ccccc2)nn1 ZINC000584591758 439604063 /nfs/dbraw/zinc/60/40/63/439604063.db2.gz ZINREGMUWHZOLV-DTVMNVQKSA-N 0 0 329.404 1.491 10 30 ECEERN N#CCC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)C1 ZINC000826707923 591168071 /nfs/dbraw/zinc/16/80/71/591168071.db2.gz DYFRKFWGXZXQLV-JKSUJKDBSA-N 0 0 326.400 0.877 10 30 ECEERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000168664996 529784185 /nfs/dbraw/zinc/78/41/85/529784185.db2.gz HSOCMFSXOSZDMW-NSHDSACASA-N 0 0 329.809 0.821 10 30 ECEERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000168664893 529790202 /nfs/dbraw/zinc/79/02/02/529790202.db2.gz HSOCMFSXOSZDMW-LLVKDONJSA-N 0 0 329.809 0.821 10 30 ECEERN Cn1cc(CN2CCCN(S(=O)(=O)CCCCC#N)CC2)cn1 ZINC000115580866 254493180 /nfs/dbraw/zinc/49/31/80/254493180.db2.gz CPYSRSROOTZYKO-UHFFFAOYSA-N 0 0 339.465 0.951 10 30 ECEERN N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000123043346 254495609 /nfs/dbraw/zinc/49/56/09/254495609.db2.gz CMSMDBFWTOKANZ-DYVFJYSZSA-N 0 0 345.403 0.889 10 30 ECEERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cnn3ccncc23)CC1 ZINC000330077348 254627136 /nfs/dbraw/zinc/62/71/36/254627136.db2.gz HLMSYYGJJPPGSY-UHFFFAOYSA-N 0 0 344.375 0.115 10 30 ECEERN C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1nnc2n1CCCC2 ZINC000121745353 221920041 /nfs/dbraw/zinc/92/00/41/221920041.db2.gz UABCKGLBNFWROU-JTQLQIEISA-N 0 0 332.389 0.921 10 30 ECEERN C[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)N1CCOCC1 ZINC000175002575 267159331 /nfs/dbraw/zinc/15/93/31/267159331.db2.gz BVGNATYWSLSVTR-CQSZACIVSA-N 0 0 332.404 0.957 10 30 ECEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000375214791 293686778 /nfs/dbraw/zinc/68/67/78/293686778.db2.gz JRWGCOVRRVMRAI-APIJFGDWSA-N 0 0 345.465 0.839 10 30 ECEERN C=CCNC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000003587362 435977563 /nfs/dbraw/zinc/97/75/63/435977563.db2.gz BCLPAADFZYSXQM-UHFFFAOYSA-N 0 0 329.466 0.977 10 30 ECEERN N#CCCn1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000123043594 436738906 /nfs/dbraw/zinc/73/89/06/436738906.db2.gz CMSMDBFWTOKANZ-SUMWQHHRSA-N 0 0 345.403 0.889 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247108656 436789727 /nfs/dbraw/zinc/78/97/27/436789727.db2.gz QYIBLDBIYMUXAB-KGLIPLIRSA-N 0 0 344.415 0.719 10 30 ECEERN CC(C)n1nnnc1CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155616851 436798524 /nfs/dbraw/zinc/79/85/24/436798524.db2.gz BKMSLURFRXTHLD-LBPRGKRZSA-N 0 0 327.396 0.626 10 30 ECEERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(C#N)cn3C)C2=O)n(C)n1 ZINC000177510281 437187499 /nfs/dbraw/zinc/18/74/99/437187499.db2.gz IGNIDEJYTMPVLF-CYBMUJFWSA-N 0 0 340.387 0.864 10 30 ECEERN Cn1ccnc(N2CCC[C@@H](NC(=O)NCCn3cccn3)C2)c1=O ZINC000328629619 437241972 /nfs/dbraw/zinc/24/19/72/437241972.db2.gz IKOAZWUBYXGSKA-CYBMUJFWSA-N 0 0 345.407 0.149 10 30 ECEERN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](O)C[C@@H]2CO)cc1C ZINC000185157812 437430955 /nfs/dbraw/zinc/43/09/55/437430955.db2.gz MNMPIIRZPMMMBF-IAGOWNOFSA-N 0 0 331.416 0.978 10 30 ECEERN CC1(C)C(=O)[C@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C([N+](=O)[O-])=C1[N+](=O)[O-] ZINC000584657151 439607162 /nfs/dbraw/zinc/60/71/62/439607162.db2.gz WAFYQSZMXGGCJS-UWVGGRQHSA-N 0 0 332.225 0.431 10 30 ECEERN N#Cc1ccc([C@H](O)CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000127425068 590552472 /nfs/dbraw/zinc/55/24/72/590552472.db2.gz FVHGVBJIACGVIE-MRXNPFEDSA-N 0 0 349.398 0.852 10 30 ECEERN N#Cc1ccc([C@@H](O)CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000127425316 590552834 /nfs/dbraw/zinc/55/28/34/590552834.db2.gz FVHGVBJIACGVIE-INIZCTEOSA-N 0 0 349.398 0.852 10 30 ECEERN N#Cc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886077544 590790782 /nfs/dbraw/zinc/79/07/82/590790782.db2.gz HOMWNSGFQKXGEU-QGZVFWFLSA-N 0 0 346.362 0.100 10 30 ECEERN N#Cc1nc(N2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1Cl ZINC000886079996 590791990 /nfs/dbraw/zinc/79/19/90/590791990.db2.gz OYWKFRYBOPFPDG-HNNXBMFYSA-N 0 0 335.795 0.373 10 30 ECEERN CCN1CCO[C@@H](CNc2nccnc2C#N)[C@@H]1c1nccn1C ZINC000886095122 590794464 /nfs/dbraw/zinc/79/44/64/590794464.db2.gz LWTYMMUOXMJKNA-UONOGXRCSA-N 0 0 327.392 0.956 10 30 ECEERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)N1CCOCC1 ZINC000077538773 203394899 /nfs/dbraw/zinc/39/48/99/203394899.db2.gz XOTRVOHKHZQGCI-NSHDSACASA-N 0 0 334.351 0.473 10 30 ECEERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000104798144 204121629 /nfs/dbraw/zinc/12/16/29/204121629.db2.gz SVOZECYZBUPELL-MRXNPFEDSA-N 0 0 343.431 0.720 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000247080025 205257105 /nfs/dbraw/zinc/25/71/05/205257105.db2.gz GZHMJJVEXGZVNU-CABCVRRESA-N 0 0 349.435 0.601 10 30 ECEERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2=O)n(C)n1 ZINC000176103593 207190586 /nfs/dbraw/zinc/19/05/86/207190586.db2.gz BMPVAJFXINUAAC-LBPRGKRZSA-N 0 0 326.360 0.854 10 30 ECEERN CN1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)C[C@@H]1C#N ZINC000330104029 254627706 /nfs/dbraw/zinc/62/77/06/254627706.db2.gz HHNUHRWZIHXICN-HNNXBMFYSA-N 0 0 344.419 0.472 10 30 ECEERN COc1cc(F)c(C(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1OC ZINC000329076590 254597558 /nfs/dbraw/zinc/59/75/58/254597558.db2.gz PZGLFVZODRHLFL-VIFPVBQESA-N 0 0 347.364 0.961 10 30 ECEERN COC[C@]1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[NH2+]1 ZINC000262170098 165303248 /nfs/dbraw/zinc/30/32/48/165303248.db2.gz AQGXLPAEKZXBPZ-CQSZACIVSA-N 0 0 345.371 0.883 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000121344853 278396564 /nfs/dbraw/zinc/39/65/64/278396564.db2.gz AJYFJROOWOXYPU-UONOGXRCSA-N 0 0 330.384 0.680 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893016 436584950 /nfs/dbraw/zinc/58/49/50/436584950.db2.gz AFBKTUHYBIKWGN-CQSZACIVSA-N 0 0 335.408 0.213 10 30 ECEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000057673084 436614298 /nfs/dbraw/zinc/61/42/98/436614298.db2.gz CNEBBIRQAIYKPM-CQSZACIVSA-N 0 0 328.372 0.932 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000117522536 436657992 /nfs/dbraw/zinc/65/79/92/436657992.db2.gz SQPMEOXDYQVWNJ-ZDUSSCGKSA-N 0 0 330.388 0.676 10 30 ECEERN N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174009083 437073814 /nfs/dbraw/zinc/07/38/14/437073814.db2.gz VCLPUWGJLKDLRR-OAHLLOKOSA-N 0 0 328.372 0.430 10 30 ECEERN CNC(=O)[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(C)C ZINC000178727574 437227242 /nfs/dbraw/zinc/22/72/42/437227242.db2.gz TWRFWVIUMDGRIM-OAHLLOKOSA-N 0 0 332.404 0.683 10 30 ECEERN CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000328611633 437240297 /nfs/dbraw/zinc/24/02/97/437240297.db2.gz MDRSWWHWEFCQMH-HNNXBMFYSA-N 0 0 348.384 0.786 10 30 ECEERN CCN1CCN(C(=O)NCc2cnn(C)c2)C[C@@H]1c1nccn1C ZINC000328621204 437241596 /nfs/dbraw/zinc/24/15/96/437241596.db2.gz HOCSFOKABUTIPD-CQSZACIVSA-N 0 0 331.424 0.946 10 30 ECEERN C[C@@H](O)CN(C[C@H](C)O)c1ccc(N=NCc2ccccc2)nn1 ZINC000584591763 439603026 /nfs/dbraw/zinc/60/30/26/439603026.db2.gz ZINREGMUWHZOLV-UVMABXGOSA-N 0 0 329.404 1.491 10 30 ECEERN CC(=O)N[C@@]1(c2nc(C)no2)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000886065386 590789952 /nfs/dbraw/zinc/78/99/52/590789952.db2.gz BRQUJERCUHZDLS-INIZCTEOSA-N 0 0 328.376 0.826 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000246286810 205192682 /nfs/dbraw/zinc/19/26/82/205192682.db2.gz AJYFJROOWOXYPU-KBPBESRZSA-N 0 0 330.384 0.680 10 30 ECEERN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)ccc1Cl ZINC000177634687 207367519 /nfs/dbraw/zinc/36/75/19/207367519.db2.gz KZBHTBPBBADQNA-NSHDSACASA-N 0 0 344.762 0.873 10 30 ECEERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000190988806 165027366 /nfs/dbraw/zinc/02/73/66/165027366.db2.gz VUGXSENVOHIJIE-MRVPVSSYSA-N 0 0 329.328 0.736 10 30 ECEERN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000072622550 436047632 /nfs/dbraw/zinc/04/76/32/436047632.db2.gz TVNCQLVHARMVMD-CQSZACIVSA-N 0 0 348.403 0.472 10 30 ECEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869253 436583078 /nfs/dbraw/zinc/58/30/78/436583078.db2.gz FIPAMLDJTVKIQW-GOSISDBHSA-N 0 0 346.479 0.982 10 30 ECEERN C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)N1CCOCC1 ZINC000171111073 436968141 /nfs/dbraw/zinc/96/81/41/436968141.db2.gz WZVUZFOMJOIYBA-ZDUSSCGKSA-N 0 0 330.388 0.125 10 30 ECEERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)CCO2)n1 ZINC000165231304 436936228 /nfs/dbraw/zinc/93/62/28/436936228.db2.gz RKCRYCRTNJHXQS-AWEZNQCLSA-N 0 0 338.433 0.834 10 30 ECEERN Cc1cc(N2CCC[C@H](NS(=O)(=O)CCCC#N)C2=O)n(C)n1 ZINC000174040866 437073614 /nfs/dbraw/zinc/07/36/14/437073614.db2.gz GAPJUVKTJZFKRK-LBPRGKRZSA-N 0 0 339.421 0.447 10 30 ECEERN COC[C@H](NC(=O)NC1CCN(c2nccn(C)c2=O)CC1)C1CC1 ZINC000328650189 437247125 /nfs/dbraw/zinc/24/71/25/437247125.db2.gz VJMGWSTZDTVTAW-AWEZNQCLSA-N 0 0 349.435 0.678 10 30 ECEERN CCC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000185375759 437436626 /nfs/dbraw/zinc/43/66/26/437436626.db2.gz LDRVMRMUNJGUIH-LLVKDONJSA-N 0 0 336.392 0.878 10 30 ECEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000186331097 437468932 /nfs/dbraw/zinc/46/89/32/437468932.db2.gz 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N#Cc1ccc(F)cc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886081997 590792458 /nfs/dbraw/zinc/79/24/58/590792458.db2.gz QVDBPTLQDDFBNV-KRWDZBQOSA-N 0 0 332.379 0.459 10 30 ECEERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C#N ZINC000195444383 612427419 /nfs/dbraw/zinc/42/74/19/612427419.db2.gz CVLRFGGDMSQWIY-GWCFXTLKSA-N 0 0 334.401 0.778 10 30 ECEERN Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1C#N ZINC000174629310 231260636 /nfs/dbraw/zinc/26/06/36/231260636.db2.gz CLBWOKDSWDVDAZ-ZDUSSCGKSA-N 0 0 330.388 0.642 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188017975 236386746 /nfs/dbraw/zinc/38/67/46/236386746.db2.gz NUIFHBPTYCWWOZ-UHFFFAOYSA-N 0 0 340.383 0.932 10 30 ECEERN CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000503715932 257833675 /nfs/dbraw/zinc/83/36/75/257833675.db2.gz IQGPQZJTVBIEKD-CABCVRRESA-N 0 0 349.412 0.433 10 30 ECEERN N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1Cl ZINC000169069791 164821388 /nfs/dbraw/zinc/82/13/88/164821388.db2.gz JAHMAHJZLKELMA-NSHDSACASA-N 0 0 329.765 0.086 10 30 ECEERN CCN1C(=O)[C@H]2[C@H](c3cccc(C#N)c3)N[C@@H](C(=O)OC)[C@H]2C1=O ZINC000504170934 270007886 /nfs/dbraw/zinc/00/78/86/270007886.db2.gz XXHFOWTWXNOBRK-ZOBORPQBSA-N 0 0 327.340 0.365 10 30 ECEERN Cc1cc(N2CCN(C(=O)C(=O)NC(C)C)CC2)c(C#N)c(C)n1 ZINC000301749476 267337963 /nfs/dbraw/zinc/33/79/63/267337963.db2.gz ABHBFDZCPFEZDK-UHFFFAOYSA-N 0 0 329.404 0.743 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1NC(C)=O ZINC000036434053 276905941 /nfs/dbraw/zinc/90/59/41/276905941.db2.gz RZNDVHTWHYQMRO-NKXHUJMZSA-N 0 0 349.383 0.894 10 30 in-vitro ECEERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000189457429 437602310 /nfs/dbraw/zinc/60/23/10/437602310.db2.gz ZJUWQGGTFBHHMR-OAHLLOKOSA-N 0 0 330.388 0.412 10 30 ECEERN C/N=C1\SC[C@@](O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C ZINC000001842644 435960616 /nfs/dbraw/zinc/96/06/16/435960616.db2.gz VYBZOPZNLLIEFX-UXEDPAHQSA-N 0 0 335.838 0.797 10 30 in-man ECEERN NC(=N[N+](=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000005151065 435984698 /nfs/dbraw/zinc/98/46/98/435984698.db2.gz PBOKRTKSTHOZSM-UHFFFAOYSA-N 0 0 326.744 0.996 10 30 ECEERN COc1ccc(-n2nc(C#N)c(N(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000256047596 436856012 /nfs/dbraw/zinc/85/60/12/436856012.db2.gz NGZBSUUSEXEOQD-LBPRGKRZSA-N 0 0 347.400 0.771 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009255 437073933 /nfs/dbraw/zinc/07/39/33/437073933.db2.gz GTCYMNGLMZMNHD-OAHLLOKOSA-N 0 0 342.399 0.738 10 30 ECEERN C=C(C)CN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O ZINC000328614346 437240316 /nfs/dbraw/zinc/24/03/16/437240316.db2.gz VSBNNQSZTUDOKE-LBPRGKRZSA-N 0 0 326.422 0.753 10 30 ECEERN CCN1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@H]1c1nccn1C ZINC000328620421 437240893 /nfs/dbraw/zinc/24/08/93/437240893.db2.gz GZFUZPUOHAFCGH-OLZOCXBDSA-N 0 0 334.424 0.243 10 30 ECEERN CCN1CCN(C(=O)NCc2ccnn2C)C[C@@H]1c1nccn1C ZINC000328634850 437243162 /nfs/dbraw/zinc/24/31/62/437243162.db2.gz UIFCGIMKTJZDSH-CQSZACIVSA-N 0 0 331.424 0.946 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190745982 437637032 /nfs/dbraw/zinc/63/70/32/437637032.db2.gz DSPSFRUNASYWSQ-JSGCOSHPSA-N 0 0 335.408 0.677 10 30 ECEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000367108953 438166884 /nfs/dbraw/zinc/16/68/84/438166884.db2.gz SFJSOGXIEIBCQO-QWRGUYRKSA-N 0 0 330.435 0.853 10 30 ECEERN N#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)nc1 ZINC000552150367 438741276 /nfs/dbraw/zinc/74/12/76/438741276.db2.gz AMRHYVOMBQMJMH-CYBMUJFWSA-N 0 0 333.355 1.323 10 30 ECEERN CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NCC#N)CC1 ZINC000108867718 589348812 /nfs/dbraw/zinc/34/88/12/589348812.db2.gz UEWMTBJMFVAHBU-UHFFFAOYSA-N 0 0 338.843 0.393 10 30 ECEERN Cc1oc(C#N)cc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886027126 590786718 /nfs/dbraw/zinc/78/67/18/590786718.db2.gz GRQNCGMMVQLVIE-HOTGVXAUSA-N 0 0 343.387 0.995 10 30 ECEERN COc1cc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)ccc1C#N ZINC000886071758 590789816 /nfs/dbraw/zinc/78/98/16/590789816.db2.gz GJKOQZDYVWAMGE-GOSISDBHSA-N 0 0 345.399 0.928 10 30 ECEERN N#Cc1ccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)c(F)c1 ZINC000886080296 590792453 /nfs/dbraw/zinc/79/24/53/590792453.db2.gz UHJWYAPLTFBEBB-QGZVFWFLSA-N 0 0 332.379 0.459 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1NC(C)=O ZINC000036434054 213097777 /nfs/dbraw/zinc/09/77/77/213097777.db2.gz RZNDVHTWHYQMRO-TYENPDHQSA-N 0 0 349.383 0.894 10 30 in-vitro ECEERN C=CCN1CC[C@@]23c4c5c(O)ccc4C(=O)[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000077312129 277859161 /nfs/dbraw/zinc/85/91/61/277859161.db2.gz IKMNPTIPIBFNPV-YDZRNGNQSA-N 0 0 341.363 0.942 10 30 in-vitro ECEERN N#CCCN(CCC#N)C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890679 436585189 /nfs/dbraw/zinc/58/51/89/436585189.db2.gz OEVRDNRPPSYROB-HNNXBMFYSA-N 0 0 330.392 0.240 10 30 ECEERN C=CCSCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152579602 436734599 /nfs/dbraw/zinc/73/45/99/436734599.db2.gz QMFFPJYWHAJUOH-UHFFFAOYSA-N 0 0 347.448 0.875 10 30 ECEERN CN(C)C(=O)[C@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156645847 436819026 /nfs/dbraw/zinc/81/90/26/436819026.db2.gz DHSHWXJDDRCHFA-OAHLLOKOSA-N 0 0 335.429 0.885 10 30 ECEERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)CCCC#N)ncn1 ZINC000173898529 437068067 /nfs/dbraw/zinc/06/80/67/437068067.db2.gz GCZRRFKAHWNXBK-GFCCVEGCSA-N 0 0 338.437 0.710 10 30 ECEERN N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000176269186 437136367 /nfs/dbraw/zinc/13/63/67/437136367.db2.gz BAFKWQWYNKDZMN-INIZCTEOSA-N 0 0 349.456 0.738 10 30 ECEERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1N1CCOCC1 ZINC000180246133 437282867 /nfs/dbraw/zinc/28/28/67/437282867.db2.gz YKCWSRWBAQGNQD-CJNGLKHVSA-N 0 0 342.399 0.676 10 30 ECEERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1C#N ZINC000188015470 437522133 /nfs/dbraw/zinc/52/21/33/437522133.db2.gz QGMAIOGPVBCJPP-UHFFFAOYSA-N 0 0 340.383 0.932 10 30 ECEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000367169996 438177230 /nfs/dbraw/zinc/17/72/30/438177230.db2.gz GSGZAAZEMZQDOS-RDBSUJKOSA-N 0 0 330.454 0.118 10 30 ECEERN CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12 ZINC000390835460 438435312 /nfs/dbraw/zinc/43/53/12/438435312.db2.gz OGHYZHNTIINXEO-VWYZMQTHSA-N 0 0 348.395 0.646 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000616583594 439820599 /nfs/dbraw/zinc/82/05/99/439820599.db2.gz RZNDVHTWHYQMRO-OOOWVJFSSA-N 0 0 349.383 0.894 10 30 ECEERN N#Cc1cc(F)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c(F)c1 ZINC000187915710 534774394 /nfs/dbraw/zinc/77/43/94/534774394.db2.gz YNZPIVOIALLJKQ-UHFFFAOYSA-N 0 0 341.339 0.736 10 30 ECEERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3ncc(Cl)c(C)c3C#N)C2)C1 ZINC000888099442 586350236 /nfs/dbraw/zinc/35/02/36/586350236.db2.gz ZURYSCHJCISLQW-SNVBAGLBSA-N 0 0 347.806 0.698 10 30 ECEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000180969323 234048209 /nfs/dbraw/zinc/04/82/09/234048209.db2.gz LCGBOUNGFGTNLG-GFCCVEGCSA-N 0 0 332.389 0.646 10 30 ECEERN N#Cc1ccc(S(=O)(=O)CCN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187982276 236370347 /nfs/dbraw/zinc/37/03/47/236370347.db2.gz VUUKUPUCDGKRAH-UHFFFAOYSA-N 0 0 333.413 0.542 10 30 ECEERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000246077221 243192145 /nfs/dbraw/zinc/19/21/45/243192145.db2.gz FYMCHAIZWCSREW-RYUDHWBXSA-N 0 0 341.408 0.773 10 30 ECEERN C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)O1 ZINC000096186078 218651379 /nfs/dbraw/zinc/65/13/79/218651379.db2.gz CRJRUJQECJXGAG-IHRRRGAJSA-N 0 0 341.433 0.933 10 30 ECEERN C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1 ZINC000077139041 254486607 /nfs/dbraw/zinc/48/66/07/254486607.db2.gz DBZJATYXEPXHPT-STQMWFEESA-N 0 0 336.413 0.848 10 30 ECEERN N#Cc1cccc(CS(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174002260 164866270 /nfs/dbraw/zinc/86/62/70/164866270.db2.gz DJFLSIWMOAIZIR-INIZCTEOSA-N 0 0 335.429 0.795 10 30 ECEERN CO[C@@H](C)c1nc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cs1 ZINC000301596673 266745965 /nfs/dbraw/zinc/74/59/65/266745965.db2.gz ZKBUMGQABBBHKD-VIFPVBQESA-N 0 0 349.416 0.756 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806977 436578579 /nfs/dbraw/zinc/57/85/79/436578579.db2.gz RWIJSMRBHFXWAK-ZDUSSCGKSA-N 0 0 346.435 0.778 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893654 436585348 /nfs/dbraw/zinc/58/53/48/436585348.db2.gz GZHMJJVEXGZVNU-LSDHHAIUSA-N 0 0 349.435 0.601 10 30 ECEERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1C#N ZINC000246927816 436787790 /nfs/dbraw/zinc/78/77/90/436787790.db2.gz GWRPSMNUEPMPMQ-KBPBESRZSA-N 0 0 344.415 0.719 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000247078346 436788172 /nfs/dbraw/zinc/78/81/72/436788172.db2.gz PBXZBBVMNSVNTB-NEPJUHHUSA-N 0 0 348.378 0.549 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000247251468 436792478 /nfs/dbraw/zinc/79/24/78/436792478.db2.gz UBHIXRDWRSARLA-ZIAGYGMSSA-N 0 0 326.441 0.429 10 30 ECEERN C#CCSCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173283685 437045136 /nfs/dbraw/zinc/04/51/36/437045136.db2.gz XLRLXENGZAQNNW-ZDUSSCGKSA-N 0 0 349.460 0.890 10 30 ECEERN N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000176269206 437137844 /nfs/dbraw/zinc/13/78/44/437137844.db2.gz BAFKWQWYNKDZMN-MRXNPFEDSA-N 0 0 349.456 0.738 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000178416932 437213278 /nfs/dbraw/zinc/21/32/78/437213278.db2.gz RSPDNTLDLKKSNM-GFCCVEGCSA-N 0 0 330.388 0.642 10 30 ECEERN Cc1nnc(CN(C)[C@H]2CN(c3cc(C)nc(C)c3C#N)C[C@H]2O)o1 ZINC000328633739 437244331 /nfs/dbraw/zinc/24/43/31/437244331.db2.gz MGEMBAXHEYGHKW-JKSUJKDBSA-N 0 0 342.403 0.943 10 30 ECEERN C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000181727518 437328137 /nfs/dbraw/zinc/32/81/37/437328137.db2.gz RLQLWAXLFIFGTL-BBRMVZONSA-N 0 0 333.363 0.764 10 30 ECEERN CN1C(=O)CO[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccccc1 ZINC000373049635 438125667 /nfs/dbraw/zinc/12/56/67/438125667.db2.gz PMMFHKARFLYONF-BMFZPTHFSA-N 0 0 329.356 0.336 10 30 ECEERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cc1C#N ZINC000596433877 438962504 /nfs/dbraw/zinc/96/25/04/438962504.db2.gz RWYFFILPEOVASA-NXEZZACHSA-N 0 0 346.206 0.940 10 30 ECEERN CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000616584493 439820611 /nfs/dbraw/zinc/82/06/11/439820611.db2.gz CTRCWYGGVOETGG-OVYGPGRDSA-N 0 0 347.452 0.697 10 30 ECEERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3nc(C)c(C#N)cc3Cl)C2)C1 ZINC000888099117 586350273 /nfs/dbraw/zinc/35/02/73/586350273.db2.gz SVSABDSYPMURQW-LLVKDONJSA-N 0 0 347.806 0.698 10 30 ECEERN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886055443 590788552 /nfs/dbraw/zinc/78/85/52/590788552.db2.gz XVYKAMLKHRVCEH-HOTGVXAUSA-N 0 0 342.403 0.730 10 30 ECEERN CCN1CCO[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccnn1C ZINC000886080280 590792550 /nfs/dbraw/zinc/79/25/50/590792550.db2.gz SWAPWDFSMSNCTQ-GJZGRUSLSA-N 0 0 327.392 0.956 10 30 ECEERN N#Cc1cc(Cl)ccc1N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886080304 590792608 /nfs/dbraw/zinc/79/26/08/590792608.db2.gz VBEGAGXGBKSWGT-INIZCTEOSA-N 0 0 334.807 0.978 10 30 ECEERN N#Cc1ccc(Cl)cc1N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886080317 590792846 /nfs/dbraw/zinc/79/28/46/590792846.db2.gz WCNIMSKBJRLHBK-INIZCTEOSA-N 0 0 334.807 0.978 10 30 ECEERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)CCO2)c1 ZINC000112094501 220243413 /nfs/dbraw/zinc/24/34/13/220243413.db2.gz MXVGZMKTEOGINF-AWEZNQCLSA-N 0 0 347.400 0.548 10 30 ECEERN CC(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)[C@@H](C#N)C1 ZINC000328792489 254591940 /nfs/dbraw/zinc/59/19/40/254591940.db2.gz ZTSPOTKGALWQGY-AWEZNQCLSA-N 0 0 345.451 0.814 10 30 ECEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246595674 165139623 /nfs/dbraw/zinc/13/96/23/165139623.db2.gz VNDHAFOGXDBTCO-XJKSGUPXSA-N 0 0 335.429 0.899 10 30 ECEERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C ZINC000122377909 222075293 /nfs/dbraw/zinc/07/52/93/222075293.db2.gz FYMCHAIZWCSREW-VXGBXAGGSA-N 0 0 341.408 0.773 10 30 ECEERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000284799413 264239247 /nfs/dbraw/zinc/23/92/47/264239247.db2.gz KHHWJCPSAMKUKQ-LSDHHAIUSA-N 0 0 326.356 0.966 10 30 ECEERN CC(C)N1C[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1=O ZINC000329536606 279551061 /nfs/dbraw/zinc/55/10/61/279551061.db2.gz BDULFVXFZNHYQQ-RBSFLKMASA-N 0 0 338.452 0.705 10 30 ECEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(C#N)cc2)C1 ZINC000263220811 436956084 /nfs/dbraw/zinc/95/60/84/436956084.db2.gz YRPGHELHATYBPV-UHFFFAOYSA-N 0 0 331.372 0.991 10 30 ECEERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000328611634 437240074 /nfs/dbraw/zinc/24/00/74/437240074.db2.gz MDRSWWHWEFCQMH-OAHLLOKOSA-N 0 0 348.384 0.786 10 30 ECEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](c2nncn2CC)C1 ZINC000328624860 437242163 /nfs/dbraw/zinc/24/21/63/437242163.db2.gz CRMJGEHKFQLOFR-KBPBESRZSA-N 0 0 334.424 0.679 10 30 ECEERN CCN1CCO[C@@H](CNc2nc(C)cc(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000596449638 438965072 /nfs/dbraw/zinc/96/50/72/438965072.db2.gz OMAIRQDXFJCYCH-HOTGVXAUSA-N 0 0 341.419 1.264 10 30 ECEERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C#N)C1CC1 ZINC000125878074 590372387 /nfs/dbraw/zinc/37/23/87/590372387.db2.gz UMPWWEUKOGBVRH-JOYOIKCWSA-N 0 0 332.385 0.532 10 30 ECEERN N#CCN(CC#N)S(=O)(=O)c1cc(Br)cnc1N ZINC000050632411 214062436 /nfs/dbraw/zinc/06/24/36/214062436.db2.gz UMGOOIXIKBFBSK-UHFFFAOYSA-N 0 0 330.167 0.464 10 30 ECEERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104361622 219379257 /nfs/dbraw/zinc/37/92/57/219379257.db2.gz VJZYEPXRFQLNOE-LBPRGKRZSA-N 0 0 334.763 0.887 10 30 ECEERN Cn1c(NCC[C@@H]2c3ccccc3NC2=O)c(C#N)c(=O)n(C)c1=O ZINC000022195232 212281390 /nfs/dbraw/zinc/28/13/90/212281390.db2.gz VOUBYNVJFGYULU-LLVKDONJSA-N 0 0 339.355 0.494 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@H]1C ZINC000178482411 207688536 /nfs/dbraw/zinc/68/85/36/207688536.db2.gz LWHWRPFPFQDWGQ-CYBMUJFWSA-N 0 0 344.415 0.984 10 30 ECEERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H](C)[C@@H](O)C3)C2=O)n(C)n1 ZINC000329143385 254599300 /nfs/dbraw/zinc/59/93/00/254599300.db2.gz MBEVVEPJQLSKMX-UBHSHLNASA-N 0 0 349.435 0.841 10 30 ECEERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000262454044 165351378 /nfs/dbraw/zinc/35/13/78/165351378.db2.gz GTGBVARHWHGQOX-UHFFFAOYSA-N 0 0 337.401 0.774 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865648 436581103 /nfs/dbraw/zinc/58/11/03/436581103.db2.gz XOSVXADXKUAEIL-UHFFFAOYSA-N 0 0 348.451 0.166 10 30 ECEERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)CCCC#N)CC2)n1 ZINC000112093325 436632491 /nfs/dbraw/zinc/63/24/91/436632491.db2.gz ATWGRFKMPYITAQ-GFCCVEGCSA-N 0 0 341.437 0.944 10 30 ECEERN CN(c1nn(-c2ccccc2F)nc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000256049322 436855208 /nfs/dbraw/zinc/85/52/08/436855208.db2.gz ZINKLENMBVDNSM-JTQLQIEISA-N 0 0 335.364 0.901 10 30 ECEERN C#CCN1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 ZINC000161570775 436894809 /nfs/dbraw/zinc/89/48/09/436894809.db2.gz ORUFZRJDHKPDQR-YOEHRIQHSA-N 0 0 338.473 0.962 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1C ZINC000172013999 436995443 /nfs/dbraw/zinc/99/54/43/436995443.db2.gz PAGGWDFRSNYWCL-AWEZNQCLSA-N 0 0 344.415 0.984 10 30 ECEERN C#CCNC(=O)c1ccc(NCC2CN(S(=O)(=O)CC)C2)nc1 ZINC000302529348 437146552 /nfs/dbraw/zinc/14/65/52/437146552.db2.gz DYEMLQZFWFHRPU-UHFFFAOYSA-N 0 0 336.417 0.138 10 30 ECEERN Cn1cc(CN2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cn1 ZINC000176010707 437128282 /nfs/dbraw/zinc/12/82/82/437128282.db2.gz WBFCNQSNOPQWDC-UHFFFAOYSA-N 0 0 326.404 0.978 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000178416939 437213926 /nfs/dbraw/zinc/21/39/26/437213926.db2.gz RSPDNTLDLKKSNM-LBPRGKRZSA-N 0 0 330.388 0.642 10 30 ECEERN Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cnn(C)c2N)cn1 ZINC000328636528 437245014 /nfs/dbraw/zinc/24/50/14/437245014.db2.gz OBFUFCXIAQPHGT-RYUDHWBXSA-N 0 0 335.387 0.653 10 30 ECEERN Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCOC1 ZINC000328633437 437245239 /nfs/dbraw/zinc/24/52/39/437245239.db2.gz LZYOPXCZSNVPIW-IPYPFGDCSA-N 0 0 339.415 0.873 10 30 ECEERN O=C1CC[C@H](/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]([C@H]2CCCO2)N1 ZINC000888095516 586349573 /nfs/dbraw/zinc/34/95/73/586349573.db2.gz PDWSZYDIHQMIHO-ZOWXZIJZSA-N 0 0 349.412 0.551 10 30 ECEERN C[C@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000125067416 590245628 /nfs/dbraw/zinc/24/56/28/590245628.db2.gz MEHCVNUEVBEZFZ-FJUBQESYSA-N 0 0 340.383 0.818 10 30 ECEERN N#Cc1ccc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886074564 590790654 /nfs/dbraw/zinc/79/06/54/590790654.db2.gz CVBNYTYRUZLIDP-KRWDZBQOSA-N 0 0 332.379 0.459 10 30 ECEERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000163835500 609695224 /nfs/dbraw/zinc/69/52/24/609695224.db2.gz HZCPLKJUNMEHBU-UHFFFAOYSA-N 0 0 345.334 0.988 10 30 ECEERN N/C(CN1CCN(C(=O)c2ccc(Br)o2)CC1)=N\O ZINC000104063621 219343336 /nfs/dbraw/zinc/34/33/36/219343336.db2.gz LFELNGIGVLWVBC-UHFFFAOYSA-N 0 0 331.170 0.546 10 30 ECEERN CC(C)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO ZINC000040651423 213364215 /nfs/dbraw/zinc/36/42/15/213364215.db2.gz CZMVESRDLDYWMU-CYBMUJFWSA-N 0 0 337.376 0.949 10 30 ECEERN CCN1CCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)C(=O)C1=O ZINC000329002104 254596243 /nfs/dbraw/zinc/59/62/43/254596243.db2.gz HDOIQFHIBBENIO-GFCCVEGCSA-N 0 0 338.408 0.035 10 30 ECEERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1N1CCOCC1 ZINC000246101667 165122595 /nfs/dbraw/zinc/12/25/95/165122595.db2.gz MLJHYHQJYGXEJK-UKRRQHHQSA-N 0 0 335.429 0.899 10 30 ECEERN CCCN1C(=O)[C@@H]2[C@H](C(=O)OC)N[C@H](c3cccc(C#N)c3)[C@H]2C1=O ZINC000504137766 267017810 /nfs/dbraw/zinc/01/78/10/267017810.db2.gz DKELJNCSNPJSPG-BYNSBNAKSA-N 0 0 341.367 0.755 10 30 ECEERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000189470035 437603008 /nfs/dbraw/zinc/60/30/08/437603008.db2.gz UTPBRHOPHNUQTL-HNNXBMFYSA-N 0 0 330.388 0.412 10 30 ECEERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1N1CCOCC1 ZINC000125857599 297065501 /nfs/dbraw/zinc/06/55/01/297065501.db2.gz MLJHYHQJYGXEJK-HIFRSBDPSA-N 0 0 335.429 0.899 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893652 436584657 /nfs/dbraw/zinc/58/46/57/436584657.db2.gz GZHMJJVEXGZVNU-GJZGRUSLSA-N 0 0 349.435 0.601 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1C ZINC000246147282 436773754 /nfs/dbraw/zinc/77/37/54/436773754.db2.gz OMFPNRZBMOXHAF-RYUDHWBXSA-N 0 0 348.378 0.549 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1C ZINC000246286823 436777775 /nfs/dbraw/zinc/77/77/75/436777775.db2.gz AJYFJROOWOXYPU-KGLIPLIRSA-N 0 0 330.384 0.680 10 30 ECEERN COc1cccc(-n2nc(C#N)c(N(C)[C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000256048035 436854995 /nfs/dbraw/zinc/85/49/95/436854995.db2.gz QGGBTAPWYNXCAS-LBPRGKRZSA-N 0 0 347.400 0.771 10 30 ECEERN Cc1nc(CN2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)no1 ZINC000165738356 436936096 /nfs/dbraw/zinc/93/60/96/436936096.db2.gz UQXHIUIRTYWKTL-UHFFFAOYSA-N 0 0 339.421 0.519 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/nfs/dbraw/zinc/96/75/89/533967589.db2.gz VNDHAFOGXDBTCO-BBRMVZONSA-N 0 0 335.429 0.899 10 30 ECEERN Cc1cnn(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000179731135 534741302 /nfs/dbraw/zinc/74/13/02/534741302.db2.gz ZFRNAJQMVWKKFE-UHFFFAOYSA-N 0 0 343.391 0.770 10 30 ECEERN N#Cc1ccc(F)cc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886081998 590792516 /nfs/dbraw/zinc/79/25/16/590792516.db2.gz QVDBPTLQDDFBNV-QGZVFWFLSA-N 0 0 332.379 0.459 10 30 ECEERN CNC(=O)[C@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccccc2)S1 ZINC000058943482 214610345 /nfs/dbraw/zinc/61/03/45/214610345.db2.gz AWCNZYMLZQJIPA-PTGFTAGUSA-N 0 0 335.385 0.927 10 30 ECEERN Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(N)=S)CCC2 ZINC000040824504 213390594 /nfs/dbraw/zinc/39/05/94/213390594.db2.gz ZYQLGRIELHQNNH-LICLKQGHSA-N 0 0 336.417 0.934 10 30 ECEERN N#CCCN(CCC#N)c1ncnc(NCCN2CCOCC2)c1N ZINC000040751893 213381880 /nfs/dbraw/zinc/38/18/80/213381880.db2.gz HIHNFCPIDDQJCV-UHFFFAOYSA-N 0 0 344.423 0.437 10 30 ECEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187981602 236368746 /nfs/dbraw/zinc/36/87/46/236368746.db2.gz IQQIDNHRMXXLHS-UHFFFAOYSA-N 0 0 330.319 0.373 10 30 ECEERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193162266 283394313 /nfs/dbraw/zinc/39/43/13/283394313.db2.gz ICHBEGONLPPQCG-LBPRGKRZSA-N 0 0 345.403 0.790 10 30 ECEERN N#Cc1c(N)sc2c1CCN(c1ncccc1S(N)(=O)=O)C2 ZINC000301504438 269948673 /nfs/dbraw/zinc/94/86/73/269948673.db2.gz GHKNMUMWTSTYHI-UHFFFAOYSA-N 0 0 335.414 0.807 10 30 ECEERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000104798145 436562242 /nfs/dbraw/zinc/56/22/42/436562242.db2.gz SVOZECYZBUPELL-INIZCTEOSA-N 0 0 343.431 0.720 10 30 ECEERN C=CCN(CC=C)C(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816833 436580124 /nfs/dbraw/zinc/58/01/24/436580124.db2.gz KWTWEIGRTMTQQU-UHFFFAOYSA-N 0 0 341.419 0.447 10 30 ECEERN Cc1nnc([C@@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)[nH]1 ZINC000173668704 437059693 /nfs/dbraw/zinc/05/96/93/437059693.db2.gz NQBVKUXCNZMEQD-AWEZNQCLSA-N 0 0 326.360 0.997 10 30 ECEERN N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173921404 437068093 /nfs/dbraw/zinc/06/80/93/437068093.db2.gz QMPAQKSETUKDLF-MRXNPFEDSA-N 0 0 342.399 0.221 10 30 ECEERN CC(C)NC(=O)C(=O)N1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302831391 437149684 /nfs/dbraw/zinc/14/96/84/437149684.db2.gz LDCNVUFXEADIAO-UHFFFAOYSA-N 0 0 325.372 0.603 10 30 ECEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@@H](c2nncn2CC)C1 ZINC000328624862 437241240 /nfs/dbraw/zinc/24/12/40/437241240.db2.gz CRMJGEHKFQLOFR-UONOGXRCSA-N 0 0 334.424 0.679 10 30 ECEERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000180246638 437283176 /nfs/dbraw/zinc/28/31/76/437283176.db2.gz WSZKDAIVDSWMLV-CZUORRHYSA-N 0 0 342.399 0.676 10 30 ECEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000185637018 437447944 /nfs/dbraw/zinc/44/79/44/437447944.db2.gz NENRIYTVYWEDSY-NSHDSACASA-N 0 0 333.373 0.452 10 30 ECEERN N#Cc1cccc(S(=O)(=O)CCN2CC(NC(=O)C3CC3)C2)c1 ZINC000187976422 437519502 /nfs/dbraw/zinc/51/95/02/437519502.db2.gz PNUNMEKUPWSZPO-UHFFFAOYSA-N 0 0 333.413 0.542 10 30 ECEERN C=CCN1CC[C@@]23c4c5c(O)ccc4[C@@H](O)[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5 ZINC000575418330 438748643 /nfs/dbraw/zinc/74/86/43/438748643.db2.gz INQPEYLRYLSPCY-RXABAKJHSA-N 0 0 343.379 0.792 10 30 ECEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000120215913 590101556 /nfs/dbraw/zinc/10/15/56/590101556.db2.gz YPHPJFQPXSZQMQ-IAQYHMDHSA-N 0 0 340.387 0.657 10 30 ECEERN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]Cc1nc(C)cc(=O)[nH]1)C2 ZINC000067921823 609807646 /nfs/dbraw/zinc/80/76/46/609807646.db2.gz IRLXDGBYUQMJLL-LLVKDONJSA-N 0 0 343.387 0.806 10 30 ECEERN CCN(CCO)c1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-] ZINC000040614032 213357475 /nfs/dbraw/zinc/35/74/75/213357475.db2.gz JVLUGJBTTGSOKB-UHFFFAOYSA-N 0 0 333.352 0.837 10 30 ECEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCN(C)[C@H](C#N)C1 ZINC000329250077 254602338 /nfs/dbraw/zinc/60/23/38/254602338.db2.gz XLZFHNYHTPNQNR-RDBSUJKOSA-N 0 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/nfs/dbraw/zinc/71/92/28/436719228.db2.gz ITGVCLBOMIYYBU-CQSZACIVSA-N 0 0 339.392 0.793 10 30 ECEERN Cc1nnc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)[nH]1 ZINC000173673868 437060903 /nfs/dbraw/zinc/06/09/03/437060903.db2.gz RUOYQIVEVUSZDK-ZDUSSCGKSA-N 0 0 331.380 0.142 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174007311 437073004 /nfs/dbraw/zinc/07/30/04/437073004.db2.gz YJANOXQKHQDXMW-INIZCTEOSA-N 0 0 327.384 0.540 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1 ZINC000177611965 437191517 /nfs/dbraw/zinc/19/15/17/437191517.db2.gz BYVCLIUJPVTLQP-PBHICJAKSA-N 0 0 343.427 0.910 10 30 ECEERN CNC(=O)[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000178454320 437215486 /nfs/dbraw/zinc/21/54/86/437215486.db2.gz IZNCVDMQRQCECO-OAHLLOKOSA-N 0 0 344.419 0.555 10 30 ECEERN C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000181727479 437328714 /nfs/dbraw/zinc/32/87/14/437328714.db2.gz RLQLWAXLFIFGTL-CJNGLKHVSA-N 0 0 333.363 0.764 10 30 ECEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000367108954 438166583 /nfs/dbraw/zinc/16/65/83/438166583.db2.gz SFJSOGXIEIBCQO-WDEREUQCSA-N 0 0 330.435 0.853 10 30 ECEERN CCN1CCO[C@@H](CNc2nccnc2C#N)[C@@H]1c1cnn(C)c1 ZINC000596451417 438963881 /nfs/dbraw/zinc/96/38/81/438963881.db2.gz WXNUWDRCYRUPLP-GJZGRUSLSA-N 0 0 327.392 0.956 10 30 ECEERN N#Cc1ccc(Cl)cc1N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886080318 590792919 /nfs/dbraw/zinc/79/29/19/590792919.db2.gz WCNIMSKBJRLHBK-MRXNPFEDSA-N 0 0 334.807 0.978 10 30 ECEERN N#Cc1ccc(NC(=O)CCN2CCOC[C@H]2C(N)=O)cc1Cl ZINC000092230869 218127594 /nfs/dbraw/zinc/12/75/94/218127594.db2.gz YOOWRBFFDXKIHI-ZDUSSCGKSA-N 0 0 336.779 0.726 10 30 ECEERN C[C@@H](CNC(=O)c1nn(C)c2ccccc2c1=O)N1CCOCC1 ZINC000329231833 254601691 /nfs/dbraw/zinc/60/16/91/254601691.db2.gz KWLPTPMZTCXAAN-LBPRGKRZSA-N 0 0 330.388 0.959 10 30 ECEERN COCCN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000117424969 221061590 /nfs/dbraw/zinc/06/15/90/221061590.db2.gz 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/nfs/dbraw/zinc/58/25/20/436582520.db2.gz ONXFGTDMHGSRSA-SFHVURJKSA-N 0 0 344.463 0.736 10 30 ECEERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)CCCC#N)CC2)n1 ZINC000111344424 436630642 /nfs/dbraw/zinc/63/06/42/436630642.db2.gz AWPWGYGSYKLXHG-NSHDSACASA-N 0 0 327.410 0.690 10 30 ECEERN Cc1cnn(C[C@H]2CN(S(=O)(=O)CCCCC#N)CCO2)c1 ZINC000112094051 436632223 /nfs/dbraw/zinc/63/22/23/436632223.db2.gz IVISZOKJMUIFOP-AWEZNQCLSA-N 0 0 326.422 0.916 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245673287 436765509 /nfs/dbraw/zinc/76/55/09/436765509.db2.gz FLAKDDWGLKMZSN-STQMWFEESA-N 0 0 344.415 0.719 10 30 ECEERN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)N1CCOCC1 ZINC000135811101 436925778 /nfs/dbraw/zinc/92/57/78/436925778.db2.gz BVIFDELKPWPCAM-NSHDSACASA-N 0 0 334.351 0.473 10 30 ECEERN CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CCOCC2)ncn1 ZINC000173417939 437048076 /nfs/dbraw/zinc/04/80/76/437048076.db2.gz XDHKUFQSJOJWJQ-CYBMUJFWSA-N 0 0 344.419 0.924 10 30 ECEERN 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N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1Cl ZINC000169069707 436942718 /nfs/dbraw/zinc/94/27/18/436942718.db2.gz JAHMAHJZLKELMA-LLVKDONJSA-N 0 0 329.765 0.086 10 30 ECEERN C#CCNC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000302763892 437147966 /nfs/dbraw/zinc/14/79/66/437147966.db2.gz YEKNGNDNOSVMNO-UHFFFAOYSA-N 0 0 336.417 0.418 10 30 ECEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000176996349 437162908 /nfs/dbraw/zinc/16/29/08/437162908.db2.gz VNDHAFOGXDBTCO-CJNGLKHVSA-N 0 0 335.429 0.899 10 30 ECEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1N1CCOCC1 ZINC000176993054 437164727 /nfs/dbraw/zinc/16/47/27/437164727.db2.gz MCHHVCWTLJZOJS-WFASDCNBSA-N 0 0 336.417 0.294 10 30 ECEERN C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1N1CCOCC1 ZINC000177233485 437176431 /nfs/dbraw/zinc/17/64/31/437176431.db2.gz NWQADBDCGHOKRL-CVEARBPZSA-N 0 0 334.464 0.982 10 30 ECEERN CCN1CCN(C(=O)NCCn2ccnc2)C[C@@H]1c1nccn1C ZINC000328631439 437244572 /nfs/dbraw/zinc/24/45/72/437244572.db2.gz QXTMQYHSZAUDPS-CQSZACIVSA-N 0 0 331.424 0.909 10 30 ECEERN Nc1nccnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328656498 437248154 /nfs/dbraw/zinc/24/81/54/437248154.db2.gz ZJGSYVSPYXPOFA-RYUDHWBXSA-N 0 0 331.355 0.766 10 30 ECEERN CC1(C)O[C@@H]2[C@H](O1)[C@H](COS(C)(=O)=O)O[C@H]1OC(C)(C)O[C@@H]21 ZINC000584591599 439602947 /nfs/dbraw/zinc/60/29/47/439602947.db2.gz JNTTVQLLUZKLPW-GEVSDDDWSA-N 0 0 338.378 0.359 10 30 ECEERN Cc1noc([C@@H]2COCCN2C2CN(c3ccncc3C#N)C2)n1 ZINC000888098276 586350018 /nfs/dbraw/zinc/35/00/18/586350018.db2.gz CXXKESDCQWJJHE-HNNXBMFYSA-N 0 0 326.360 0.907 10 30 ECEERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC000864683706 590094123 /nfs/dbraw/zinc/09/41/23/590094123.db2.gz QMWYINNTEDXRCB-LBPRGKRZSA-N 0 0 330.388 0.954 10 30 ECEERN C#CCOc1ccccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000184318520 610527437 /nfs/dbraw/zinc/52/74/37/610527437.db2.gz WNLYNIZCUPVQML-UHFFFAOYSA-N 0 0 326.356 0.958 10 30 ECEERN N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccn2)nc1 ZINC000067897373 215246077 /nfs/dbraw/zinc/24/60/77/215246077.db2.gz YTQHCOGFSOYXNA-CVEARBPZSA-N 0 0 335.367 0.964 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329387123 296182262 /nfs/dbraw/zinc/18/22/62/296182262.db2.gz QTZLHHKVDNVGBV-FMKPAKJESA-N 0 0 327.425 0.237 10 30 ECEERN C#CCSCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000121485684 254494895 /nfs/dbraw/zinc/49/48/95/254494895.db2.gz DMDDZVKIXJRLJY-UHFFFAOYSA-N 0 0 345.432 0.322 10 30 ECEERN CN(C(=O)NCCC1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330189963 254629384 /nfs/dbraw/zinc/62/93/84/254629384.db2.gz MEMNCERCNRMLGM-ZDUSSCGKSA-N 0 0 333.454 0.683 10 30 ECEERN N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000190404025 165020711 /nfs/dbraw/zinc/02/07/11/165020711.db2.gz YGVQFYKJYPQKQX-LBPRGKRZSA-N 0 0 349.358 0.867 10 30 ECEERN N#Cc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000302742066 268323574 /nfs/dbraw/zinc/32/35/74/268323574.db2.gz RLEUSCMTSPYVGA-ZDUSSCGKSA-N 0 0 331.332 0.689 10 30 ECEERN C[C@](C#N)(NC(=O)CN1CCCN(c2cccnn2)CC1)C1CC1 ZINC000105798674 436577555 /nfs/dbraw/zinc/57/75/55/436577555.db2.gz HDGSHFDSTFJMGJ-QGZVFWFLSA-N 0 0 328.420 0.797 10 30 ECEERN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194621091 436668403 /nfs/dbraw/zinc/66/84/03/436668403.db2.gz SZPCXKHIJVPQTQ-OAHLLOKOSA-N 0 0 333.436 0.793 10 30 ECEERN C=CCCO[C@@H](C)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136394894 436930905 /nfs/dbraw/zinc/93/09/05/436930905.db2.gz NFEAHAPKWHZULA-ZDUSSCGKSA-N 0 0 330.392 0.754 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180248016 437282703 /nfs/dbraw/zinc/28/27/03/437282703.db2.gz QTNNJMMIIJMVCM-WMLDXEAASA-N 0 0 341.411 0.786 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022487 437521299 /nfs/dbraw/zinc/52/12/99/437521299.db2.gz UJWQWVIRUWJPAK-UHFFFAOYSA-N 0 0 340.383 0.932 10 30 ECEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000370185025 438559232 /nfs/dbraw/zinc/55/92/32/438559232.db2.gz PWYVEOMNHCLPMI-UONOGXRCSA-N 0 0 330.454 0.119 10 30 ECEERN C/C(=N/NC(N)=S)[C@@]1(C)N(O)C(C)(C)C(C2=S=CC=C2)=[N+]1[O-] ZINC000575418155 438748639 /nfs/dbraw/zinc/74/86/39/438748639.db2.gz LWZDNFNPJOSYTG-ATDKOCKZSA-O 0 0 342.470 0.515 10 30 ECEERN CC1(C)C(=O)[C@](C)([N+](=O)[O-])[C@](C)([N+](=O)[O-])C([N+](=O)[O-])=C1[N+](=O)[O-] ZINC000584657153 439607310 /nfs/dbraw/zinc/60/73/10/439607310.db2.gz WAFYQSZMXGGCJS-ZJUUUORDSA-N 0 0 332.225 0.431 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247233124 534862113 /nfs/dbraw/zinc/86/21/13/534862113.db2.gz RLWRKAWMUXXTTH-ZIAGYGMSSA-N 0 0 335.408 0.293 10 30 ECEERN N#Cc1cccc(CS(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000888098324 586349824 /nfs/dbraw/zinc/34/98/24/586349824.db2.gz FXJVTHQAQNNYAQ-HUUCEWRRSA-N 0 0 336.413 0.908 10 30 ECEERN COc1cc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1C#N ZINC000886026663 590787344 /nfs/dbraw/zinc/78/73/44/590787344.db2.gz CQHBCYPOBFVVEA-SFHVURJKSA-N 0 0 344.415 0.329 10 30 ECEERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CCC(=O)N1C ZINC000886085029 590793524 /nfs/dbraw/zinc/79/35/24/590793524.db2.gz VWRRIKGURZYNQO-IUODEOHRSA-N 0 0 340.387 0.722 10 30 ECEERN N#Cc1cccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)c1F ZINC000886093416 590794934 /nfs/dbraw/zinc/79/49/34/590794934.db2.gz LQYNLHZCNBLRCR-QGZVFWFLSA-N 0 0 332.379 0.459 10 30 ECEERN CCc1noc([C@H](C)N2CCN(C(=O)NCc3cnnn3C)CC2)n1 ZINC000329709521 741558980 /nfs/dbraw/zinc/55/89/80/741558980.db2.gz NBSWYLUBPMKVFM-NSHDSACASA-N 0 0 348.411 0.553 10 30 ECEERN N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000177653513 231950038 /nfs/dbraw/zinc/95/00/38/231950038.db2.gz VEHUFKYWJJJFII-OAHLLOKOSA-N 0 0 339.355 0.621 10 30 ECEERN N#Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)ccc1F ZINC000188019684 236388050 /nfs/dbraw/zinc/38/80/50/236388050.db2.gz ZMAWMKIAIRVSCC-UHFFFAOYSA-N 0 0 344.346 0.763 10 30 ECEERN Cc1ccc(N(CCC#N)C(=O)CN2CCOC[C@H]2C(N)=O)cc1C ZINC000092421628 254488386 /nfs/dbraw/zinc/48/83/86/254488386.db2.gz JTEXNZHXXSHPFY-INIZCTEOSA-N 0 0 344.415 0.736 10 30 ECEERN C[C@H](C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)N1CCOCC1 ZINC000329830973 254620052 /nfs/dbraw/zinc/62/00/52/254620052.db2.gz KJOCSRKDJMJFJF-KGLIPLIRSA-N 0 0 349.435 0.426 10 30 ECEERN COC(=O)C1CCN(c2ncnc(N(CC#N)CC#N)c2N)CC1 ZINC000040736880 132407222 /nfs/dbraw/zinc/40/72/22/132407222.db2.gz ZTIUCXCVZYYSLX-UHFFFAOYSA-N 0 0 329.364 0.302 10 30 ECEERN N#Cc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000302742065 268323143 /nfs/dbraw/zinc/32/31/43/268323143.db2.gz RLEUSCMTSPYVGA-CYBMUJFWSA-N 0 0 331.332 0.689 10 30 ECEERN Cc1cccc(N(CCC#N)C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000092229729 436468814 /nfs/dbraw/zinc/46/88/14/436468814.db2.gz MZFSXFKVZOZVSY-INIZCTEOSA-N 0 0 344.415 0.736 10 30 ECEERN C=CCOC(=O)c1cc(N)ccc1N1CCN(S(C)(=O)=O)CC1 ZINC000226280445 436712600 /nfs/dbraw/zinc/71/26/00/436712600.db2.gz ZCXNWTJQBTWEKB-UHFFFAOYSA-N 0 0 339.417 0.693 10 30 ECEERN N#C[C@@H](c1ccccc1)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000124676224 436755092 /nfs/dbraw/zinc/75/50/92/436755092.db2.gz LKBWIFSYUHEKLZ-ROUUACIJSA-N 0 0 342.443 0.852 10 30 ECEERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000170924406 436962537 /nfs/dbraw/zinc/96/25/37/436962537.db2.gz RGPZDBXNJJHRQY-HNNXBMFYSA-N 0 0 344.419 0.115 10 30 ECEERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)N1CCOCC1 ZINC000175947982 437125021 /nfs/dbraw/zinc/12/50/21/437125021.db2.gz MWKXTKUEJHCGPH-LLVKDONJSA-N 0 0 334.351 0.473 10 30 ECEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175961510 437125462 /nfs/dbraw/zinc/12/54/62/437125462.db2.gz JNIPMMTWWFASMS-CYBMUJFWSA-N 0 0 332.335 0.763 10 30 ECEERN Cn1c(=O)c(C#N)c(N2CC[C@H](Oc3ccncc3)C2)n(C)c1=O ZINC000301647377 437127839 /nfs/dbraw/zinc/12/78/39/437127839.db2.gz QDVBUQNRCSDEGV-LBPRGKRZSA-N 0 0 327.344 0.008 10 30 ECEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000176000262 437128011 /nfs/dbraw/zinc/12/80/11/437128011.db2.gz KIQSFOHHGMKFEG-CQSZACIVSA-N 0 0 346.362 0.569 10 30 ECEERN Cn1cc([C@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@@H]2C(N)=O)cn1 ZINC000286804506 437133086 /nfs/dbraw/zinc/13/30/86/437133086.db2.gz QCZVDMVEIONMQP-SJORKVTESA-N 0 0 339.399 0.871 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000177604191 437191863 /nfs/dbraw/zinc/19/18/63/437191863.db2.gz AKUDDLMVOKOKAL-QWHCGFSZSA-N 0 0 330.388 0.410 10 30 ECEERN COCC(=O)NC1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C1 ZINC000185246949 437432262 /nfs/dbraw/zinc/43/22/62/437432262.db2.gz NMINDFTVSNYNQT-UHFFFAOYSA-N 0 0 347.419 0.320 10 30 ECEERN N#Cc1ccc(S(=O)(=O)CCN2CC(NC(=O)C3CCC3)C2)cc1 ZINC000185936436 437456070 /nfs/dbraw/zinc/45/60/70/437456070.db2.gz PCNNMBYCEZOHPA-UHFFFAOYSA-N 0 0 347.440 0.932 10 30 ECEERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000343179158 437529405 /nfs/dbraw/zinc/52/94/05/437529405.db2.gz IYLZJAZNHLKYTO-WDEREUQCSA-N 0 0 330.793 0.982 10 30 ECEERN Cc1noc([C@@H]2COCCN2C2CN(c3cccnc3C#N)C2)n1 ZINC000888098256 586349769 /nfs/dbraw/zinc/34/97/69/586349769.db2.gz CKMXEKSXYFUFQR-HNNXBMFYSA-N 0 0 326.360 0.907 10 30 ECEERN Cn1cnnc1C[C@]1(O)CCCN(c2nc3ccccn3c2C#N)C1 ZINC000886065750 590789959 /nfs/dbraw/zinc/78/99/59/590789959.db2.gz SPFHRLHXOFCGGW-QGZVFWFLSA-N 0 0 337.387 0.908 10 30 ECEERN CC(=O)C(=NNc1ccc(S(=O)(=O)N2CCCC2)cc1)C(N)=O ZINC000100068083 219089608 /nfs/dbraw/zinc/08/96/08/219089608.db2.gz BQNGBHVDYULDNN-LGMDPLHJSA-N 0 0 338.389 0.313 10 30 ECEERN CC(C)[C@H]1CCO[C@H]1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000329247325 254602623 /nfs/dbraw/zinc/60/26/23/254602623.db2.gz RQLPZKIJIVGRBD-YRGRVCCFSA-N 0 0 346.449 0.650 10 30 ECEERN CCc1nn(C)cc1CNC(=O)N1CCCN(CCOC)C(=O)C1 ZINC000329847650 254620257 /nfs/dbraw/zinc/62/02/57/254620257.db2.gz MZMDIZKGKDOHTL-UHFFFAOYSA-N 0 0 337.424 0.577 10 30 ECEERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000117522533 221074120 /nfs/dbraw/zinc/07/41/20/221074120.db2.gz SQPMEOXDYQVWNJ-CYBMUJFWSA-N 0 0 330.388 0.676 10 30 ECEERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C#N)cn3C)C2=O)n(C)n1 ZINC000177510265 164904873 /nfs/dbraw/zinc/90/48/73/164904873.db2.gz IGNIDEJYTMPVLF-ZDUSSCGKSA-N 0 0 340.387 0.864 10 30 ECEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246595668 165139613 /nfs/dbraw/zinc/13/96/13/165139613.db2.gz VNDHAFOGXDBTCO-CZUORRHYSA-N 0 0 335.429 0.899 10 30 ECEERN CO[C@@H]1CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1OC ZINC000328780371 266755807 /nfs/dbraw/zinc/75/58/07/266755807.db2.gz UKAMWXGXYJGMPJ-HUUCEWRRSA-N 0 0 348.403 0.943 10 30 ECEERN CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081512593 436347986 /nfs/dbraw/zinc/34/79/86/436347986.db2.gz PWLCSCDRDBCPED-OAHLLOKOSA-N 0 0 335.429 0.932 10 30 ECEERN C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1N1CCOCC1 ZINC000246468166 436779018 /nfs/dbraw/zinc/77/90/18/436779018.db2.gz NWQADBDCGHOKRL-HZPDHXFCSA-N 0 0 334.464 0.982 10 30 ECEERN C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1N1CCOCC1 ZINC000246468185 436779071 /nfs/dbraw/zinc/77/90/71/436779071.db2.gz NWQADBDCGHOKRL-JKSUJKDBSA-N 0 0 334.464 0.982 10 30 ECEERN N#CCCCS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178697081 437224588 /nfs/dbraw/zinc/22/45/88/437224588.db2.gz KTLTUYQVFHXTOS-MRXNPFEDSA-N 0 0 337.445 0.971 10 30 ECEERN CC#CCN1CCC[C@@H](n2ncc(N3CCC(O)CC3)cc2=O)C1 ZINC000328607157 437240367 /nfs/dbraw/zinc/24/03/67/437240367.db2.gz UWTLGBJXGIPUIS-OAHLLOKOSA-N 0 0 330.432 0.865 10 30 ECEERN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179169692 437253854 /nfs/dbraw/zinc/25/38/54/437253854.db2.gz GIIDTQBKWZQKLL-HUUCEWRRSA-N 0 0 341.371 0.110 10 30 ECEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000184942141 437418603 /nfs/dbraw/zinc/41/86/03/437418603.db2.gz JHQFGLUPLWLSAU-LBPRGKRZSA-N 0 0 339.355 0.360 10 30 ECEERN Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1C ZINC000185157836 437429891 /nfs/dbraw/zinc/42/98/91/437429891.db2.gz MNMPIIRZPMMMBF-SJORKVTESA-N 0 0 331.416 0.978 10 30 ECEERN CC(=O)N[C@]1(c2nc(C)no2)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000886065389 590789508 /nfs/dbraw/zinc/78/95/08/590789508.db2.gz BRQUJERCUHZDLS-MRXNPFEDSA-N 0 0 328.376 0.826 10 30 ECEERN N#Cc1c(Cl)cccc1N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886079966 590791781 /nfs/dbraw/zinc/79/17/81/590791781.db2.gz NYURTGGYADOTFT-INIZCTEOSA-N 0 0 334.807 0.978 10 30 ECEERN CC[C@H](O)CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000136837597 590796764 /nfs/dbraw/zinc/79/67/64/590796764.db2.gz ZCILMTXFQIIECT-HNNXBMFYSA-N 0 0 330.384 0.682 10 30 ECEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178423384 608783748 /nfs/dbraw/zinc/78/37/48/608783748.db2.gz LRMHUTMBEAQNCZ-OAHLLOKOSA-N 0 0 330.388 0.676 10 30 ECEERN CN1CCO[C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@H]21 ZINC000329158770 740439116 /nfs/dbraw/zinc/43/91/16/740439116.db2.gz CZYGJHCQFCRDEL-RKDXNWHRSA-N 0 0 348.329 0.642 10 30 ECEERN C=CCNC(=O)Cn1c(CCNC(=O)COC)nc2ccccc21 ZINC000040299261 213289893 /nfs/dbraw/zinc/28/98/93/213289893.db2.gz FEQPMGXNBPFWEX-UHFFFAOYSA-N 0 0 330.388 0.644 10 30 ECEERN O=C(NC[C@@H]1CCS(=O)(=O)C1)O/N=C1/C(=O)Nc2ccccc21 ZINC000040168605 213278111 /nfs/dbraw/zinc/27/81/11/213278111.db2.gz RRVZZYHVMLQVKN-VIFPVBQESA-N 0 0 337.357 0.504 10 30 ECEERN N#Cc1ccc(NC(=O)CCN2CCOC[C@@H]2C(N)=O)cc1Cl ZINC000092230867 218128111 /nfs/dbraw/zinc/12/81/11/218128111.db2.gz YOOWRBFFDXKIHI-CYBMUJFWSA-N 0 0 336.779 0.726 10 30 ECEERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000118115799 221121263 /nfs/dbraw/zinc/12/12/63/221121263.db2.gz YALZYNSLCRVXDO-GFCCVEGCSA-N 0 0 336.779 0.597 10 30 ECEERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193511152 165054320 /nfs/dbraw/zinc/05/43/20/165054320.db2.gz HHXWWTZMQIBJTH-NSHDSACASA-N 0 0 345.403 0.790 10 30 ECEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000171602288 227168568 /nfs/dbraw/zinc/16/85/68/227168568.db2.gz QOIPIZUNUBXXSL-HNNXBMFYSA-N 0 0 338.371 0.743 10 30 ECEERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000285121926 264281156 /nfs/dbraw/zinc/28/11/56/264281156.db2.gz RDJFWBDRZLZTFA-VHSXEESVSA-N 0 0 332.328 0.607 10 30 ECEERN CCCN1C(=O)[C@H]2[C@@H](c3cccc(C#N)c3)N[C@@H](C(=O)OC)[C@H]2C1=O ZINC000504137785 267016881 /nfs/dbraw/zinc/01/68/81/267016881.db2.gz DKELJNCSNPJSPG-LXTVHRRPSA-N 0 0 341.367 0.755 10 30 ECEERN CCN(CCC#N)C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869900 436582727 /nfs/dbraw/zinc/58/27/27/436582727.db2.gz KIEIMFCKIOLJFI-UHFFFAOYSA-N 0 0 332.452 0.690 10 30 ECEERN CCN(CCC#N)C(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893847 436584555 /nfs/dbraw/zinc/58/45/55/436584555.db2.gz QXYBMXOIYBHQSD-INIZCTEOSA-N 0 0 333.436 0.963 10 30 ECEERN C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000121681558 436722440 /nfs/dbraw/zinc/72/24/40/436722440.db2.gz MMSMYFMFMINPIB-ZBFHGGJFSA-N 0 0 342.395 0.946 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000246818537 436786335 /nfs/dbraw/zinc/78/63/35/436786335.db2.gz AKUDDLMVOKOKAL-OLZOCXBDSA-N 0 0 330.388 0.410 10 30 ECEERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)n1 ZINC000275352580 436959230 /nfs/dbraw/zinc/95/92/30/436959230.db2.gz UHQSKACWGAPIRG-OAHLLOKOSA-N 0 0 348.384 0.673 10 30 ECEERN C#C[C@H](C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000185314219 437434401 /nfs/dbraw/zinc/43/44/01/437434401.db2.gz JRGPNKARSIFBJY-FZMZJTMJSA-N 0 0 333.413 0.888 10 30 ECEERN C=CCc1ccc(OC[C@@H](O)CN2CC(NC(C)=O)C2)c(OC)c1 ZINC000191729255 437653385 /nfs/dbraw/zinc/65/33/85/437653385.db2.gz DBSPFBZKCRXSPF-INIZCTEOSA-N 0 0 334.416 0.984 10 30 ECEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000367169990 438176929 /nfs/dbraw/zinc/17/69/29/438176929.db2.gz GSGZAAZEMZQDOS-HZSPNIEDSA-N 0 0 330.454 0.118 10 30 ECEERN C=CCO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000575169840 438741317 /nfs/dbraw/zinc/74/13/17/438741317.db2.gz RZNDVHTWHYQMRO-YLALRLGGSA-N 0 0 349.383 0.894 10 30 ECEERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3nccc(C#N)c3Cl)C2)C1 ZINC000888098586 586349772 /nfs/dbraw/zinc/34/97/72/586349772.db2.gz ISUZHBIBGOMOHE-JTQLQIEISA-N 0 0 333.779 0.390 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293694208 /nfs/dbraw/zinc/69/42/08/293694208.db2.gz BPRWIPFIJPPURP-GBJTYRQASA-N 0 0 345.465 0.981 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869743 436583672 /nfs/dbraw/zinc/58/36/72/436583672.db2.gz IBWGTFBBQMOKKP-CQSZACIVSA-N 0 0 348.451 0.328 10 30 ECEERN CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128492834 436817353 /nfs/dbraw/zinc/81/73/53/436817353.db2.gz DNHDIVDIHKDYGN-HNNXBMFYSA-N 0 0 335.429 0.932 10 30 ECEERN CN(C)C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000128645211 436818610 /nfs/dbraw/zinc/81/86/10/436818610.db2.gz XOJOFEAWJCMXJT-HNNXBMFYSA-N 0 0 337.445 0.594 10 30 ECEERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000170683635 436949600 /nfs/dbraw/zinc/94/96/00/436949600.db2.gz OHIAPEAFSUIKKB-LBPRGKRZSA-N 0 0 336.779 0.597 10 30 ECEERN Cc1nnc([C@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)[nH]1 ZINC000173668718 437060046 /nfs/dbraw/zinc/06/00/46/437060046.db2.gz NQBVKUXCNZMEQD-CQSZACIVSA-N 0 0 326.360 0.997 10 30 ECEERN 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436968003 /nfs/dbraw/zinc/96/80/03/436968003.db2.gz HQQJDDNRMYVCSY-HNNXBMFYSA-N 0 0 328.372 0.415 10 30 ECEERN C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N1CCOC[C@@H]1C ZINC000301394116 437120529 /nfs/dbraw/zinc/12/05/29/437120529.db2.gz KCTLXSPZTNADEM-NEPJUHHUSA-N 0 0 338.433 0.727 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000180247959 437283366 /nfs/dbraw/zinc/28/33/66/437283366.db2.gz QTNNJMMIIJMVCM-PBHICJAKSA-N 0 0 341.411 0.786 10 30 ECEERN CCN1CCO[C@@H](CNc2nccc(C#N)n2)[C@@H]1c1nccn1C ZINC000886082054 590792649 /nfs/dbraw/zinc/79/26/49/590792649.db2.gz ZCNWPRHPKJVWMN-UONOGXRCSA-N 0 0 327.392 0.956 10 30 ECEERN Cc1nc(N2CCN([C@]3(C(N)=O)CCOC3)CC2)c(Cl)cc1C#N ZINC000886095497 590795572 /nfs/dbraw/zinc/79/55/72/590795572.db2.gz YGOUGORXGANNKB-MRXNPFEDSA-N 0 0 349.822 0.682 10 30 ECEERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193169983 240045250 /nfs/dbraw/zinc/04/52/50/240045250.db2.gz ICHBEGONLPPQCG-GFCCVEGCSA-N 0 0 345.403 0.790 10 30 ECEERN C[C@H](CC(=O)Nc1ncn(CC(=O)N(C)C)n1)N1CCCCC1=O ZINC000328725894 254590860 /nfs/dbraw/zinc/59/08/60/254590860.db2.gz ZITSYRPWVPZVLW-LLVKDONJSA-N 0 0 336.396 0.745 10 30 ECEERN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000329405681 254606643 /nfs/dbraw/zinc/60/66/43/254606643.db2.gz CPVNUEQMZDFRBD-LSDHHAIUSA-N 0 0 347.415 0.953 10 30 ECEERN CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C ZINC000117368521 221057464 /nfs/dbraw/zinc/05/74/64/221057464.db2.gz XOHQPBBUIONQMC-ZDUSSCGKSA-N 0 0 338.433 0.685 10 30 ECEERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000190669476 165024420 /nfs/dbraw/zinc/02/44/20/165024420.db2.gz RJANALUSJLFWPG-VIFPVBQESA-N 0 0 334.763 0.887 10 30 ECEERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000177604177 274267639 /nfs/dbraw/zinc/26/76/39/274267639.db2.gz AKUDDLMVOKOKAL-CHWSQXEVSA-N 0 0 330.388 0.410 10 30 ECEERN CN1CCN(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)CC1 ZINC000225489432 277091232 /nfs/dbraw/zinc/09/12/32/277091232.db2.gz ILROEUAJMKLTSC-ZDUSSCGKSA-N 0 0 330.392 0.559 10 30 ECEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000329644524 300377616 /nfs/dbraw/zinc/37/76/16/300377616.db2.gz IKHGFLICNYNOIP-RWMBFGLXSA-N 0 0 346.449 0.603 10 30 ECEERN OCCOCCOCCOCCOCCOCCOCCS ZINC000005828797 435994925 /nfs/dbraw/zinc/99/49/25/435994925.db2.gz ACMBXVJDKVNCGH-UHFFFAOYSA-N 0 0 342.454 0.008 10 30 in-vivo ECEERN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000031582731 436229789 /nfs/dbraw/zinc/22/97/89/436229789.db2.gz DXMSRYJMJCBZJJ-STQMWFEESA-N 0 0 347.419 0.613 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805466 436579036 /nfs/dbraw/zinc/57/90/36/436579036.db2.gz IEFCHSRLFRDKOU-GFCCVEGCSA-N 0 0 332.408 0.753 10 30 ECEERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)CCCC#N)CC2)n1 ZINC000111344422 436630332 /nfs/dbraw/zinc/63/03/32/436630332.db2.gz AWPWGYGSYKLXHG-LLVKDONJSA-N 0 0 327.410 0.690 10 30 ECEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000121542576 436719617 /nfs/dbraw/zinc/71/96/17/436719617.db2.gz DWYMPPPVGGXILA-OAHLLOKOSA-N 0 0 328.368 0.700 10 30 ECEERN N#Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1F ZINC000174007707 437073621 /nfs/dbraw/zinc/07/36/21/437073621.db2.gz UMLCLUGCDBBJPG-AWEZNQCLSA-N 0 0 346.362 0.569 10 30 ECEERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1C#N ZINC000174009944 437073629 /nfs/dbraw/zinc/07/36/29/437073629.db2.gz VLVDKOBNEMXSOM-CQSZACIVSA-N 0 0 342.399 0.738 10 30 ECEERN C[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)N1CCOCC1 ZINC000175002556 437092906 /nfs/dbraw/zinc/09/29/06/437092906.db2.gz BVGNATYWSLSVTR-AWEZNQCLSA-N 0 0 332.404 0.957 10 30 ECEERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183609267 437388049 /nfs/dbraw/zinc/38/80/49/437388049.db2.gz GWHGSJWPMCVAJX-NSHDSACASA-N 0 0 329.809 0.821 10 30 ECEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)cn2C)o1 ZINC000583621481 439489685 /nfs/dbraw/zinc/48/96/85/439489685.db2.gz QZFIGFZMTHEIEB-RYUDHWBXSA-N 0 0 332.339 0.935 10 30 ECEERN 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/nfs/dbraw/zinc/36/45/12/220364512.db2.gz ZTJNXJNZAPDSNZ-NSHDSACASA-N 0 0 344.762 0.873 10 30 ECEERN C[C@H](NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCCCC1 ZINC000329519475 254609479 /nfs/dbraw/zinc/60/94/79/254609479.db2.gz QBUCFVQPIPOVEQ-STQMWFEESA-N 0 0 336.436 0.902 10 30 ECEERN Cn1cc(CN2CCCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1 ZINC000105869264 436583314 /nfs/dbraw/zinc/58/33/14/436583314.db2.gz ONXFGTDMHGSRSA-GOSISDBHSA-N 0 0 344.463 0.736 10 30 ECEERN C#CCNC(=O)[C@@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894364 436585521 /nfs/dbraw/zinc/58/55/21/436585521.db2.gz LATLMLZQFJXXIQ-SJORKVTESA-N 0 0 345.443 0.182 10 30 ECEERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000247078367 436788577 /nfs/dbraw/zinc/78/85/77/436788577.db2.gz PBXZBBVMNSVNTB-RYUDHWBXSA-N 0 0 348.378 0.549 10 30 ECEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000247251436 436791135 /nfs/dbraw/zinc/79/11/35/436791135.db2.gz UBHIXRDWRSARLA-KGLIPLIRSA-N 0 0 326.441 0.429 10 30 ECEERN 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/nfs/dbraw/zinc/16/92/09/437169209.db2.gz PBYOGEPAIGEEBF-CQSZACIVSA-N 0 0 325.386 0.946 10 30 ECEERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000180246621 437282156 /nfs/dbraw/zinc/28/21/56/437282156.db2.gz WSZKDAIVDSWMLV-BBRMVZONSA-N 0 0 342.399 0.676 10 30 ECEERN CCn1cc([C@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)cn1 ZINC000190780428 437639818 /nfs/dbraw/zinc/63/98/18/437639818.db2.gz CXXDOPZHRLJZDS-MRXNPFEDSA-N 0 0 344.419 0.932 10 30 ECEERN O=C(Cn1ncc(=O)c2ccccc21)N1CC(NC(=O)C2CC2)C1 ZINC000330317074 518199177 /nfs/dbraw/zinc/19/91/77/518199177.db2.gz QFTRFHYUNFONTC-UHFFFAOYSA-N 0 0 326.356 0.974 10 30 ECEERN O=C(NC1CC1)c1cccc(S(=O)(=O)N2CC(n3ccnn3)C2)c1 ZINC000329513997 518202900 /nfs/dbraw/zinc/20/29/00/518202900.db2.gz CSQDCFXKYSVCIZ-UHFFFAOYSA-N 0 0 347.400 0.991 10 30 ECEERN C=C(C)CN(CC)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000020451979 518595758 /nfs/dbraw/zinc/59/57/58/518595758.db2.gz NPYSCXCMFFHPET-OKILXGFUSA-N 0 0 336.440 0.707 10 30 ECEERN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177627307 526910629 /nfs/dbraw/zinc/91/06/29/526910629.db2.gz OIAJXJMAYHUECY-ZDUSSCGKSA-N 0 0 341.371 0.913 10 30 ECEERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C#N)CC1 ZINC000125575988 590329340 /nfs/dbraw/zinc/32/93/40/590329340.db2.gz OFKHWWGNNUOSJE-NSHDSACASA-N 0 0 346.412 0.876 10 30 ECEERN N#Cc1ccc(F)c(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886080443 590792634 /nfs/dbraw/zinc/79/26/34/590792634.db2.gz YLJXDRMIISRTEW-KRWDZBQOSA-N 0 0 332.379 0.459 10 30 ECEERN N#Cc1cc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886081946 590792957 /nfs/dbraw/zinc/79/29/57/590792957.db2.gz JRTKUVTZUNXXFR-KRWDZBQOSA-N 0 0 332.379 0.459 10 30 ECEERN CCCCCCCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O ZINC000101157955 219118196 /nfs/dbraw/zinc/11/81/96/219118196.db2.gz JXLKQDFJNOXCNT-RFBLXINOSA-N 0 0 333.425 0.307 10 30 ECEERN Cn1nccc1CNC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000329842211 254619896 /nfs/dbraw/zinc/61/98/96/254619896.db2.gz 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436949097 /nfs/dbraw/zinc/94/90/97/436949097.db2.gz OHIAPEAFSUIKKB-GFCCVEGCSA-N 0 0 336.779 0.597 10 30 ECEERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)CCCC#N)ncn1 ZINC000173898550 437067701 /nfs/dbraw/zinc/06/77/01/437067701.db2.gz GCZRRFKAHWNXBK-LBPRGKRZSA-N 0 0 338.437 0.710 10 30 ECEERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCCC#N ZINC000184706707 437409186 /nfs/dbraw/zinc/40/91/86/437409186.db2.gz STDPZDYNNFEIII-LLVKDONJSA-N 0 0 334.401 0.924 10 30 ECEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N ZINC000375213749 438243879 /nfs/dbraw/zinc/24/38/79/438243879.db2.gz BPRWIPFIJPPURP-APIJFGDWSA-N 0 0 345.465 0.981 10 30 ECEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000374416075 438206401 /nfs/dbraw/zinc/20/64/01/438206401.db2.gz PMFPQSQXVHPMLQ-ILXRZTDVSA-N 0 0 344.481 0.365 10 30 ECEERN N#Cc1cc(Br)cnc1N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000601203555 438830594 /nfs/dbraw/zinc/83/05/94/438830594.db2.gz DHLNERWENDDRJL-GHMZBOCLSA-N 0 0 335.165 0.729 10 30 ECEERN 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GFUOUWSDGVYGPH-HOCLYGCPSA-N 0 0 333.436 0.901 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247251450 436791087 /nfs/dbraw/zinc/79/10/87/436791087.db2.gz UBHIXRDWRSARLA-UONOGXRCSA-N 0 0 326.441 0.429 10 30 ECEERN CCOC(=O)C=C(C)NNC(N)=C(C(=O)OCC)C(=O)OCC ZINC000254407428 436847023 /nfs/dbraw/zinc/84/70/23/436847023.db2.gz JXCIGLOQHNEJCL-UHFFFAOYSA-N 0 0 329.353 0.202 10 30 ECEERN CCOC(=O)C(C(=O)OCC)=C(N)NN=Cc1ccc(OC)cc1 ZINC000254598412 436849632 /nfs/dbraw/zinc/84/96/32/436849632.db2.gz WFPLTAFPOFQYOF-UHFFFAOYSA-N 0 0 335.360 0.915 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009244 437072638 /nfs/dbraw/zinc/07/26/38/437072638.db2.gz GTCYMNGLMZMNHD-HNNXBMFYSA-N 0 0 342.399 0.738 10 30 ECEERN N#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177650152 437194219 /nfs/dbraw/zinc/19/42/19/437194219.db2.gz OETQCGQATDYYSA-HNNXBMFYSA-N 0 0 339.355 0.621 10 30 ECEERN Cc1nnc(CN(C)[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)o1 ZINC000328627047 437241278 /nfs/dbraw/zinc/24/12/78/437241278.db2.gz FSSSHPLTRABRBH-CHWSQXEVSA-N 0 0 348.794 0.980 10 30 ECEERN Cc1noc([C@H]2COCCN2CC(=O)N(CCC#N)CCC#N)n1 ZINC000185065635 437423996 /nfs/dbraw/zinc/42/39/96/437423996.db2.gz SLNDOEYJTDDJPQ-CYBMUJFWSA-N 0 0 332.364 0.407 10 30 ECEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000186343397 437471479 /nfs/dbraw/zinc/47/14/79/437471479.db2.gz LHGFADCIJAUDIG-CHWSQXEVSA-N 0 0 335.408 0.460 10 30 ECEERN C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000367169994 438177291 /nfs/dbraw/zinc/17/72/91/438177291.db2.gz GSGZAAZEMZQDOS-MGPQQGTHSA-N 0 0 330.454 0.118 10 30 ECEERN CCN1CCO[C@@H](CNc2ccncc2C#N)[C@@H]1c1cnn(C)c1 ZINC000596449351 438964000 /nfs/dbraw/zinc/96/40/00/438964000.db2.gz FNZAALNWLTZTNF-IRXDYDNUSA-N 0 0 326.404 0.983 10 30 ECEERN COc1ccc(C(COS(C)(=O)=O)COS(C)(=O)=O)cc1 ZINC000584623471 439605016 /nfs/dbraw/zinc/60/50/16/439605016.db2.gz UBLVOWWDKWKFIT-UHFFFAOYSA-N 0 0 338.403 0.731 10 30 ECEERN C=CCN1C(=O)[C@@H]2CN(C(=O)COc3ccccc3)CCN2C1=O ZINC000005434111 518844365 /nfs/dbraw/zinc/84/43/65/518844365.db2.gz PTTHHJJUYINVAB-AWEZNQCLSA-N 0 0 329.356 0.726 10 30 ECEERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3nc(C)c(C#N)cc3Cl)C2)C1 ZINC000888099118 586350269 /nfs/dbraw/zinc/35/02/69/586350269.db2.gz SVSABDSYPMURQW-NSHDSACASA-N 0 0 347.806 0.698 10 30 ECEERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccc(C#N)cc2)cn1 ZINC000862925053 589975068 /nfs/dbraw/zinc/97/50/68/589975068.db2.gz AVNXMPVBNZUUBZ-JKSUJKDBSA-N 0 0 326.356 0.797 10 30 ECEERN CN(C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1COC[C@H]1O ZINC000329393288 741138396 /nfs/dbraw/zinc/13/83/96/741138396.db2.gz WDROMDZFNWOZBK-YNEHKIRRSA-N 0 0 340.401 0.511 10 30 ECEERN O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1CN1CCOCC1 ZINC000038609700 213217288 /nfs/dbraw/zinc/21/72/88/213217288.db2.gz WCEJYDIWHURKJX-VGOFMYFVSA-N 0 0 337.292 0.076 10 30 in-man ECEERN N#Cc1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)ccn1 ZINC000193300263 240098869 /nfs/dbraw/zinc/09/88/69/240098869.db2.gz ARLHDDONYYODPO-UHFFFAOYSA-N 0 0 334.343 0.353 10 30 ECEERN C[C@](O)(CNC(=O)c1ncoc1[C@H]1CCCO1)CN1CCOCC1 ZINC000330038966 291338141 /nfs/dbraw/zinc/33/81/41/291338141.db2.gz BSPOZLLXBJMGLE-WBMJQRKESA-N 0 0 339.392 0.914 10 30 ECEERN CO[C@@H]1CN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1OC ZINC000330179751 254629345 /nfs/dbraw/zinc/62/93/45/254629345.db2.gz MTRSTRWMBYZGPS-CHWSQXEVSA-N 0 0 340.401 0.908 10 30 ECEERN Cc1ccc(S(=O)(=O)ON2C(=O)[C@H]3[C@H]4CC[C@H](O4)[C@H]3C2=O)cc1 ZINC000216609517 292185219 /nfs/dbraw/zinc/18/52/19/292185219.db2.gz YWBAARVSTLNNML-FNFFVJSTSA-N 0 0 337.353 0.778 10 30 ECEERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190682200 165023964 /nfs/dbraw/zinc/02/39/64/165023964.db2.gz JOMXULPXCOMHRE-VIFPVBQESA-N 0 0 334.763 0.887 10 30 ECEERN N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(Cl)c1 ZINC000227308713 263171362 /nfs/dbraw/zinc/17/13/62/263171362.db2.gz KXMCOEXFTSVTBL-JTQLQIEISA-N 0 0 329.765 0.086 10 30 ECEERN C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000121681738 278391146 /nfs/dbraw/zinc/39/11/46/278391146.db2.gz MMSMYFMFMINPIB-HOCLYGCPSA-N 0 0 342.395 0.946 10 30 ECEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000375214795 293687002 /nfs/dbraw/zinc/68/70/02/293687002.db2.gz JRWGCOVRRVMRAI-LJISPDSOSA-N 0 0 345.465 0.839 10 30 ECEERN COc1ccc(C(=O)N=C(N2CCOCC2)N2CCOCC2)cc1 ZINC000015780024 436084189 /nfs/dbraw/zinc/08/41/89/436084189.db2.gz MXTCPMCHRUQTGP-UHFFFAOYSA-N 0 0 333.388 0.856 10 30 ECEERN CCN(CCC#N)C(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105817274 436579637 /nfs/dbraw/zinc/57/96/37/436579637.db2.gz XYFMHCGXZKIXFE-UHFFFAOYSA-N 0 0 342.407 0.008 10 30 ECEERN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)N1CCOCC1 ZINC000156411301 436815087 /nfs/dbraw/zinc/81/50/87/436815087.db2.gz ZNHIMSPVZFKRIP-NSHDSACASA-N 0 0 327.381 0.696 10 30 ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247108643 436789643 /nfs/dbraw/zinc/78/96/43/436789643.db2.gz QYIBLDBIYMUXAB-KBPBESRZSA-N 0 0 344.415 0.719 10 30 ECEERN N#Cc1ccccc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000157466966 436827569 /nfs/dbraw/zinc/82/75/69/436827569.db2.gz MTZNXYRNHRUEPP-CQSZACIVSA-N 0 0 332.385 0.844 10 30 ECEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263400485 436965296 /nfs/dbraw/zinc/96/52/96/436965296.db2.gz RZNWCJJZHLPMEP-PQAZSJQKSA-N 0 0 325.409 0.957 10 30 ECEERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)[nH]1 ZINC000173734397 437061353 /nfs/dbraw/zinc/06/13/53/437061353.db2.gz AJXDUJNMNASPHJ-CYBMUJFWSA-N 0 0 333.373 0.747 10 30 ECEERN CCc1nnc([C@H]2CN(S(=O)(=O)CCCCC#N)CCO2)[nH]1 ZINC000173737218 437061931 /nfs/dbraw/zinc/06/19/31/437061931.db2.gz YIIPHYQBJDAQCX-LLVKDONJSA-N 0 0 327.410 0.764 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000178516504 437219228 /nfs/dbraw/zinc/21/92/28/437219228.db2.gz FLAKDDWGLKMZSN-QWHCGFSZSA-N 0 0 344.415 0.719 10 30 ECEERN COC1(CNC(=O)NC2CCN(c3nccn(C)c3=O)CC2)CCC1 ZINC000328657040 437248365 /nfs/dbraw/zinc/24/83/65/437248365.db2.gz ZYCJUSQVRLSOMN-UHFFFAOYSA-N 0 0 349.435 0.822 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000575228736 438743508 /nfs/dbraw/zinc/74/35/08/438743508.db2.gz RZNDVHTWHYQMRO-LVZMMCSGSA-N 0 0 349.383 0.894 10 30 ECEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000583623759 439489885 /nfs/dbraw/zinc/48/98/85/439489885.db2.gz NWRPDHIIYJNZJY-MEBBXXQBSA-N 0 0 334.380 0.360 10 30 ECEERN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N(C)CCC#N ZINC000069772153 610173394 /nfs/dbraw/zinc/17/33/94/610173394.db2.gz ULYDMJOHZYMAIT-LBPRGKRZSA-N 0 0 338.433 0.699 10 30 ECEERN CC1=CC(=O)[C@@]2(C)C1=CC(=O)[C@@]13CO[C@@]4(C)[C@@H]1C(=O)O[C@H]4[C@H](O)[C@H]23 ZINC000004097791 210119685 /nfs/dbraw/zinc/11/96/85/210119685.db2.gz BHRGGWSNTHQGED-QNHMRRABSA-N 0 0 330.336 0.338 10 30 biogenic,in-vitro ECEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187983632 236370038 /nfs/dbraw/zinc/37/00/38/236370038.db2.gz PZXRFKBMCRXGCZ-UHFFFAOYSA-N 0 0 326.356 0.542 10 30 ECEERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C ZINC000193201512 207766677 /nfs/dbraw/zinc/76/66/77/207766677.db2.gz OLXRNXYZBTVIDK-CYBMUJFWSA-N 0 0 347.419 0.940 10 30 ECEERN CCN1CN(C(=O)NCCN2CCc3ccccc3C2=O)CC1=O ZINC000330064211 254626364 /nfs/dbraw/zinc/62/63/64/254626364.db2.gz CBRCDOJKFNIHDF-UHFFFAOYSA-N 0 0 330.388 0.721 10 30 ECEERN COc1ccc(NC(=O)N2CC(O)(C3CC3)C2)cc1-n1nnnc1C ZINC000330094053 254627404 /nfs/dbraw/zinc/62/74/04/254627404.db2.gz SIAYNYWQHIEHCC-UHFFFAOYSA-N 0 0 344.375 0.982 10 30 ECEERN Cc1cnn(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000117818613 221092912 /nfs/dbraw/zinc/09/29/12/221092912.db2.gz RYISQLASOHATQY-UHFFFAOYSA-N 0 0 346.412 0.794 10 30 ECEERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000189456571 437603220 /nfs/dbraw/zinc/60/32/20/437603220.db2.gz JOWOWRHEVXMCIK-CQSZACIVSA-N 0 0 348.378 0.551 10 30 ECEERN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000031582719 436230021 /nfs/dbraw/zinc/23/00/21/436230021.db2.gz DXMSRYJMJCBZJJ-CHWSQXEVSA-N 0 0 347.419 0.613 10 30 ECEERN C=CCNC(=O)NC(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105813563 436580021 /nfs/dbraw/zinc/58/00/21/436580021.db2.gz IQMSQSGVUPPCGE-UHFFFAOYSA-N 0 0 337.449 0.581 10 30 ECEERN CCOc1ccnc(N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105868458 436583555 /nfs/dbraw/zinc/58/35/55/436583555.db2.gz GPXAMQLSKWHGTL-CQSZACIVSA-N 0 0 346.435 0.758 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000178516490 437217665 /nfs/dbraw/zinc/21/76/65/437217665.db2.gz FLAKDDWGLKMZSN-CHWSQXEVSA-N 0 0 344.415 0.719 10 30 ECEERN Cc1nnc(CN(C)[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)o1 ZINC000328627048 437242515 /nfs/dbraw/zinc/24/25/15/437242515.db2.gz FSSSHPLTRABRBH-QWHCGFSZSA-N 0 0 348.794 0.980 10 30 ECEERN Cn1ccnc(N2CCC[C@H](NC(=O)NCCn3cccn3)C2)c1=O ZINC000328629620 437242606 /nfs/dbraw/zinc/24/26/06/437242606.db2.gz IKOAZWUBYXGSKA-ZDUSSCGKSA-N 0 0 345.407 0.149 10 30 ECEERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184623551 437407202 /nfs/dbraw/zinc/40/72/02/437407202.db2.gz BBQCWNWKWPNAJJ-ZDUSSCGKSA-N 0 0 339.359 0.881 10 30 ECEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000370185024 438558122 /nfs/dbraw/zinc/55/81/22/438558122.db2.gz PWYVEOMNHCLPMI-KGLIPLIRSA-N 0 0 330.454 0.119 10 30 ECEERN C#Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188019346 527442125 /nfs/dbraw/zinc/44/21/25/527442125.db2.gz WQXVKVMWGJTXTP-UHFFFAOYSA-N 0 0 325.368 0.734 10 30 ECEERN CCO[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C12CCOCC2 ZINC000184103899 527846135 /nfs/dbraw/zinc/84/61/35/527846135.db2.gz HPBWBDMUTQUPLR-CHWSQXEVSA-N 0 0 348.403 0.342 10 30 ECEERN O=C1CC[C@H](/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]([C@@H]2CCCO2)N1 ZINC000888095514 586349481 /nfs/dbraw/zinc/34/94/81/586349481.db2.gz PDWSZYDIHQMIHO-HUBLWGQQSA-N 0 0 349.412 0.551 10 30 ECEERN COc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)ccc1C#N ZINC000888100821 586350409 /nfs/dbraw/zinc/35/04/09/586350409.db2.gz YCLZQRUBQVLNHQ-GOEBONIOSA-N 0 0 342.355 0.877 10 30 ECEERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccnc(C#N)c2)OCCN1C ZINC000886027333 590787181 /nfs/dbraw/zinc/78/71/81/590787181.db2.gz STPQEYRLWCQFSX-HOTGVXAUSA-N 0 0 340.387 0.488 10 30 ECEERN O=C(NC[C@@H](O)CN1CCOCC1)c1coc(C2CCOCC2)n1 ZINC000329896013 741616832 /nfs/dbraw/zinc/61/68/32/741616832.db2.gz CEYVXFPQJYXLAQ-CYBMUJFWSA-N 0 0 339.392 0.566 10 30 ECEERN COc1cc(/C=N/Nc2nnc(C(C)(C)C)c(=O)n2N)ccc1O ZINC000004279681 210159181 /nfs/dbraw/zinc/15/91/81/210159181.db2.gz DJGGKPLJOPTDTM-CAOOACKPSA-N 0 0 332.364 0.810 10 30 ECEERN N#Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1Cl ZINC000189392224 236862269 /nfs/dbraw/zinc/86/22/69/236862269.db2.gz LVTCHCMDUXAHHX-UHFFFAOYSA-N 0 0 346.774 0.887 10 30 ECEERN NC(N)=NS(=O)(=O)c1ccc(N=Cc2ccc([N+](=O)[O-])o2)cc1 ZINC000020457395 212133061 /nfs/dbraw/zinc/13/30/61/212133061.db2.gz NCLLWQSWPLKDOW-VIZOYTHASA-N 0 0 337.317 0.901 10 30 ECEERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)[nH]1 ZINC000123109204 222216926 /nfs/dbraw/zinc/21/69/26/222216926.db2.gz RIROGKOQBCKPJV-GFCCVEGCSA-N 0 0 333.373 0.747 10 30 ECEERN CCc1nnc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)n1C ZINC000171544351 227131873 /nfs/dbraw/zinc/13/18/73/227131873.db2.gz KDSGDQFCANXGSU-LBPRGKRZSA-N 0 0 326.408 0.750 10 30 ECEERN COC(=O)c1cc(/C=N\n2cnnc2)cc(/C=N/n2cnnc2)c1O ZINC000032603754 436241510 /nfs/dbraw/zinc/24/15/10/436241510.db2.gz KLISLHSUTPRBQC-RULKVFSWSA-N 0 0 340.303 0.126 10 30 ECEERN CCOc1ccnc(N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105868455 436583022 /nfs/dbraw/zinc/58/30/22/436583022.db2.gz GPXAMQLSKWHGTL-AWEZNQCLSA-N 0 0 346.435 0.758 10 30 ECEERN Cn1c(NCC[C@H]2c3ccccc3NC2=O)c(C#N)c(=O)n(C)c1=O ZINC000137572450 436659493 /nfs/dbraw/zinc/65/94/93/436659493.db2.gz VOUBYNVJFGYULU-NSHDSACASA-N 0 0 339.355 0.494 10 30 ECEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCO[C@H](Cn2cccn2)C1 ZINC000137136160 436656091 /nfs/dbraw/zinc/65/60/91/436656091.db2.gz TXLIDEDITBLXFQ-HNNXBMFYSA-N 0 0 339.351 0.891 10 30 ECEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245673283 436767165 /nfs/dbraw/zinc/76/71/65/436767165.db2.gz FLAKDDWGLKMZSN-OLZOCXBDSA-N 0 0 344.415 0.719 10 30 ECEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000248699210 436809624 /nfs/dbraw/zinc/80/96/24/436809624.db2.gz DSPSFRUNASYWSQ-OCCSQVGLSA-N 0 0 335.408 0.677 10 30 ECEERN Cc1nc(C[C@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)no1 ZINC000299603235 437094989 /nfs/dbraw/zinc/09/49/89/437094989.db2.gz MTRXVIKDTOJGND-LLVKDONJSA-N 0 0 344.375 0.106 10 30 ECEERN C#CCNC(=O)CNc1nc2ccccc2nc1N1CCOCC1 ZINC000302702515 437147956 /nfs/dbraw/zinc/14/79/56/437147956.db2.gz BNDCTZYMZQJSFG-UHFFFAOYSA-N 0 0 325.372 0.628 10 30 ECEERN N#CCc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187980178 437519772 /nfs/dbraw/zinc/51/97/72/437519772.db2.gz UAPXCUOCFLSDRA-MRXNPFEDSA-N 0 0 329.400 0.703 10 30 ECEERN CCN1CCO[C@@H](CNc2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000596451437 438964368 /nfs/dbraw/zinc/96/43/68/438964368.db2.gz XEAGLSUXFPONPY-IRXDYDNUSA-N 0 0 326.404 0.983 10 30 ECEERN C=CCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000616583587 439820554 /nfs/dbraw/zinc/82/05/54/439820554.db2.gz RZNDVHTWHYQMRO-GQLSEVEHSA-N 0 0 349.383 0.894 10 30 ECEERN Cc1noc([C@H]2COCCN2C2CN(c3ccncc3C#N)C2)n1 ZINC000888098277 586349906 /nfs/dbraw/zinc/34/99/06/586349906.db2.gz CXXKESDCQWJJHE-OAHLLOKOSA-N 0 0 326.360 0.907 10 30 ECEERN N#CCc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000888099355 586350197 /nfs/dbraw/zinc/35/01/97/586350197.db2.gz VYZHBXLFMAVARD-HUUCEWRRSA-N 0 0 336.413 0.961 10 30 ECEERN CC#CC(=O)N1C[C@@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 ZINC000862335663 589937783 /nfs/dbraw/zinc/93/77/83/589937783.db2.gz MFAZXEAKYDGWGG-IAGOWNOFSA-N 0 0 325.368 0.905 10 30 ECEERN