smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)o1 ZINC001506424787 1114602948 /nfs/dbraw/zinc/60/29/48/1114602948.db2.gz NFFXIEGPDDXQNV-AWEZNQCLSA-N 0 0 325.364 2.136 50 30 EEEARN COC(=O)c1cccc(CNC(=O)Cn2c(C#N)nc3ccccc32)c1 ZINC000008782699 201763004 /nfs/dbraw/zinc/76/30/04/201763004.db2.gz SBKOEJVTNJTYPH-UHFFFAOYSA-N 0 0 348.362 2.011 50 30 EEEARN COC(=O)C1(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CCCCC1 ZINC000025172764 202127823 /nfs/dbraw/zinc/12/78/23/202127823.db2.gz NPXMJCBNYTVPCH-ZDUSSCGKSA-N 0 0 330.384 2.318 50 30 EEEARN C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)NCC ZINC000035767781 213048873 /nfs/dbraw/zinc/04/88/73/213048873.db2.gz XVAKJTHIMWEAQV-INIZCTEOSA-N 0 0 349.431 2.005 50 30 EEEARN C=C(C)CN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1C ZINC000067727073 202276816 /nfs/dbraw/zinc/27/68/16/202276816.db2.gz IVKPRFNOQCNCMA-IRXDYDNUSA-N 0 0 335.492 2.180 50 30 EEEARN C=CCN(C(=O)Cc1cc(F)ccc1C)[C@@]1(C)CCS(=O)(=O)C1 ZINC000067820382 202335958 /nfs/dbraw/zinc/33/59/58/202335958.db2.gz ABSNCFLKIVRXSK-KRWDZBQOSA-N 0 0 339.432 2.268 50 30 EEEARN C=CCn1cnnc1SCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000025253191 212469021 /nfs/dbraw/zinc/46/90/21/212469021.db2.gz YKSNAWQIAGMSET-UHFFFAOYSA-N 0 0 338.458 2.007 50 30 EEEARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC000023150253 212355288 /nfs/dbraw/zinc/35/52/88/212355288.db2.gz FNMDCDMICCUWHI-UHFFFAOYSA-N 0 0 330.365 2.245 50 30 EEEARN Cc1nnsc1-c1nnc2n1N=C(c1ccc(C#N)cc1)CS2 ZINC000000156242 201442412 /nfs/dbraw/zinc/44/24/12/201442412.db2.gz ZAIVCCMEHDGGNT-UHFFFAOYSA-N 0 0 339.409 2.335 50 30 EEEARN CCc1nc(CN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)no1 ZINC000217096171 241236361 /nfs/dbraw/zinc/23/63/61/241236361.db2.gz VSFCFSNNLAZASO-UHFFFAOYSA-N 0 0 327.384 2.027 50 30 EEEARN Cc1nc([C@H](C)NC(=O)N2CCn3nc(C#N)cc3C2)c(C)s1 ZINC000426662426 241322394 /nfs/dbraw/zinc/32/23/94/241322394.db2.gz ZMPLYFXVZSNQKC-VIFPVBQESA-N 0 0 330.417 2.115 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000005398075 201649907 /nfs/dbraw/zinc/64/99/07/201649907.db2.gz CTSUEUISQFSDPU-UHFFFAOYSA-N 0 0 339.738 2.446 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=C(C)Nc2ccccc2O)C(=O)CC1(C)C ZINC000100281822 206220695 /nfs/dbraw/zinc/22/06/95/206220695.db2.gz SMRHUUSBENNFAB-LTBFUDJGSA-N 0 0 331.368 2.435 50 30 EEEARN C=CCNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012432338 211379403 /nfs/dbraw/zinc/37/94/03/211379403.db2.gz FAZSARZLSFRGMZ-INIZCTEOSA-N 0 0 339.399 2.171 50 30 EEEARN COc1ccc(-n2c(N)c(C#N)c3c(c2=O)COC(C)(C)C3)cc1 ZINC000006662638 286265751 /nfs/dbraw/zinc/26/57/51/286265751.db2.gz BIKQFTCOLRFLPN-UHFFFAOYSA-N 0 0 325.368 2.151 50 30 EEEARN CNC(=O)O/N=C/c1nn(C(=O)C(C)(C)C)cc1Br ZINC000000077933 277238994 /nfs/dbraw/zinc/23/89/94/277238994.db2.gz NMSRFNSHCMSSLQ-LHHJGKSTSA-N 0 0 331.170 2.022 50 30 EEEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c(C)c1 ZINC000000140736 280862335 /nfs/dbraw/zinc/86/23/35/280862335.db2.gz HOOMUYDLDJCYNZ-UHFFFAOYSA-N 0 0 346.390 2.257 50 30 EEEARN CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1 ZINC000000555758 462570488 /nfs/dbraw/zinc/57/04/88/462570488.db2.gz ZEIAFCTYIKEOLP-UHFFFAOYSA-N 0 0 339.395 2.315 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2OC)C1=O ZINC000001167275 462578020 /nfs/dbraw/zinc/57/80/20/462578020.db2.gz ILYXWSMKAWQLEN-FMIVXFBMSA-N 0 0 333.365 2.382 50 30 EEEARN C=CCn1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000001397105 462581442 /nfs/dbraw/zinc/58/14/42/462581442.db2.gz NLCLDDICYILGIS-UHFFFAOYSA-N 0 0 344.367 2.312 50 30 EEEARN COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002729024 462600871 /nfs/dbraw/zinc/60/08/71/462600871.db2.gz NTVKNDCASGZELD-GZTJUZNOSA-N 0 0 334.397 2.325 50 30 EEEARN Cc1c(C#N)c(=O)ncn1N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000004040881 462626755 /nfs/dbraw/zinc/62/67/55/462626755.db2.gz ILCSAFBWVGEXJL-UHFFFAOYSA-N 0 0 343.696 2.390 50 30 EEEARN C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1=S ZINC000005624817 462664808 /nfs/dbraw/zinc/66/48/08/462664808.db2.gz JPGQMTMMYDODMD-UHFFFAOYSA-N 0 0 344.849 2.259 50 30 EEEARN C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000006530766 462687593 /nfs/dbraw/zinc/68/75/93/462687593.db2.gz DTSCMMYHABGUAA-UHFFFAOYSA-N 0 0 342.424 2.058 50 30 aggregator EEEARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000006827392 462707691 /nfs/dbraw/zinc/70/76/91/462707691.db2.gz LYUAXWIHHIACHD-UHFFFAOYSA-N 0 0 331.357 2.393 50 30 EEEARN N#CC1(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)CCCC1 ZINC000006850621 462709184 /nfs/dbraw/zinc/70/91/84/462709184.db2.gz IMGRMZSMBFGTCW-UHFFFAOYSA-N 0 0 336.351 2.095 50 30 EEEARN Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000007059434 462719654 /nfs/dbraw/zinc/71/96/54/462719654.db2.gz DCWNQQKULNPDOS-UHFFFAOYSA-N 0 0 341.436 2.378 50 30 EEEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000007055445 462719665 /nfs/dbraw/zinc/71/96/65/462719665.db2.gz BBVCRMXSYQXWBN-UHFFFAOYSA-N 0 0 343.408 2.196 50 30 EEEARN C#CCOc1cc(-n2ncc(=S)n(C)c2=O)c(F)cc1Cl ZINC000008375479 462781513 /nfs/dbraw/zinc/78/15/13/462781513.db2.gz ZBAAMQXSSGOBEK-UHFFFAOYSA-N 0 0 325.752 2.105 50 30 EEEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1ccncc1 ZINC000009452641 462801989 /nfs/dbraw/zinc/80/19/89/462801989.db2.gz PKZVJNSJZCKWGK-AWQFTUOYSA-N 0 0 335.392 2.237 50 30 EEEARN CC#CC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012054243 462841768 /nfs/dbraw/zinc/84/17/68/462841768.db2.gz IOARRXQMFDMCSI-OAHLLOKOSA-N 0 0 330.403 2.484 50 30 EEEARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N ZINC000012640646 462861112 /nfs/dbraw/zinc/86/11/12/462861112.db2.gz VMFLUDSDKZBEAA-GFCCVEGCSA-N 0 0 327.409 2.157 50 30 EEEARN N#Cc1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000014678389 462930387 /nfs/dbraw/zinc/93/03/87/462930387.db2.gz UFLZMUUWJHQLPR-UHFFFAOYSA-N 0 0 327.287 2.439 50 30 EEEARN Cc1ccc(CN2CCN(/N=C3\c4ccccc4NC3=O)CC2)cc1 ZINC000020081802 463024439 /nfs/dbraw/zinc/02/44/39/463024439.db2.gz CEOFRBHLNKPCPP-UHFFFAOYSA-N 0 0 334.423 2.469 50 30 EEEARN CCn1ccnc1CN1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)C1 ZINC000067712972 463042392 /nfs/dbraw/zinc/04/23/92/463042392.db2.gz MBXIFUMROLYWGI-INIZCTEOSA-N 0 0 337.427 2.027 50 30 EEEARN NC(=S)N/N=C/c1ccc(OCCOc2ccccc2F)cc1 ZINC000027023500 463178958 /nfs/dbraw/zinc/17/89/58/463178958.db2.gz HHVJAKWPJZEOGP-YBFXNURJSA-N 0 0 333.388 2.451 50 30 EEEARN C[C@H](c1cccnc1)N1C(=O)C[C@@H](N(C)Cc2ccc(C#N)cc2)C1=O ZINC000101026195 463376045 /nfs/dbraw/zinc/37/60/45/463376045.db2.gz BCPYPJCFCJSFSD-RDTXWAMCSA-N 0 0 348.406 2.274 50 30 EEEARN C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cc1ccsc1 ZINC000082106365 463514572 /nfs/dbraw/zinc/51/45/72/463514572.db2.gz VCHCRUISJSUCPW-ZDUSSCGKSA-N 0 0 339.420 2.426 50 30 EEEARN COc1ccc(C=C2NC(=O)C(=CNCc3ccccc3)C2=O)cc1 ZINC000109979440 463653790 /nfs/dbraw/zinc/65/37/90/463653790.db2.gz YNNSEEMAALTRDS-IOZDLPHISA-N 0 0 334.375 2.409 50 30 EEEARN N#Cc1cccc(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)c1 ZINC000238870493 464439289 /nfs/dbraw/zinc/43/92/89/464439289.db2.gz MTYZAUXVEDZWSK-UHFFFAOYSA-N 0 0 335.323 2.404 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)n1 ZINC000014136157 521343064 /nfs/dbraw/zinc/34/30/64/521343064.db2.gz JMGOAANNGCHLKO-LLVKDONJSA-N 0 0 348.453 2.456 50 30 EEEARN Cc1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)no1 ZINC000124866522 526254392 /nfs/dbraw/zinc/25/43/92/526254392.db2.gz KLIWVLCLWZOELE-UHFFFAOYSA-N 0 0 347.378 2.365 50 30 EEEARN O=C(Oc1ccc(C=NNc2nc(O)cs2)cc1)c1ccccc1 ZINC000004672730 526439200 /nfs/dbraw/zinc/43/92/00/526439200.db2.gz GBYCUGAUHRQUOS-VCHYOVAHSA-N 0 0 339.376 2.459 50 30 EEEARN CC(=O)Nc1ccnn1C1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000011933645 799275992 /nfs/dbraw/zinc/27/59/92/799275992.db2.gz BWTCOFZHRDYQNE-UHFFFAOYSA-N 0 0 336.395 2.057 50 30 EEEARN C=CCC(O)(CC=C)[C@@H](C)NC(=O)CCNC(=O)c1ccccc1F ZINC000055042127 214266989 /nfs/dbraw/zinc/26/69/89/214266989.db2.gz WHRGZUNKFJBBDH-CQSZACIVSA-N 0 0 348.418 2.334 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 ZINC000007046727 201711376 /nfs/dbraw/zinc/71/13/76/201711376.db2.gz YOARCLLLZMMDOO-UHFFFAOYSA-N 0 0 325.368 2.206 50 30 EEEARN CCOC(=O)c1c(C)oc2ncn(Cc3cccc(C#N)c3)c(=O)c21 ZINC000007553845 201723062 /nfs/dbraw/zinc/72/30/62/201723062.db2.gz PKTMUPQWWGSJQG-UHFFFAOYSA-N 0 0 337.335 2.395 50 30 EEEARN N#Cc1cc(Br)ccc1N1CC[C@@H](N2CCOCC2)C1 ZINC000130456397 283087250 /nfs/dbraw/zinc/08/72/50/283087250.db2.gz YZRDDZJOBIXLSE-CQSZACIVSA-N 0 0 336.233 2.232 50 30 EEEARN COc1nc(N)c(C#N)c(-c2ccc(N(C)CCC#N)cc2)c1C#N ZINC000020458430 202043858 /nfs/dbraw/zinc/04/38/58/202043858.db2.gz WSRGPRYMFZJIOV-UHFFFAOYSA-N 0 0 332.367 2.433 50 30 EEEARN CC(C)n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000021739666 202069306 /nfs/dbraw/zinc/06/93/06/202069306.db2.gz JHFVCACRRABMFT-UHFFFAOYSA-N 0 0 348.457 2.407 50 30 EEEARN CC(=O)N1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1 ZINC000021799855 202071183 /nfs/dbraw/zinc/07/11/83/202071183.db2.gz MAUZLLNBLXIOFN-SNAWJCMRSA-N 0 0 328.397 2.447 50 30 EEEARN CCN(CC)c1ccc2cc(/C(C)=N\NC(N)=S)c(=O)oc2c1 ZINC000027469480 202155085 /nfs/dbraw/zinc/15/50/85/202155085.db2.gz DRGHWLNJVCQNKW-ZDLGFXPLSA-N 0 0 332.429 2.196 50 30 biogenic EEEARN N#Cc1nc(C2CC2)oc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000032827773 202237564 /nfs/dbraw/zinc/23/75/64/202237564.db2.gz PYURVSMNKKFKPV-UHFFFAOYSA-N 0 0 340.343 2.053 50 30 EEEARN CC[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000033024024 202247611 /nfs/dbraw/zinc/24/76/11/202247611.db2.gz XBABMEKOHSQCBE-ZDUSSCGKSA-N 0 0 325.416 2.421 50 30 EEEARN C=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000000246397 209501927 /nfs/dbraw/zinc/50/19/27/209501927.db2.gz PQFHZHQSQIULHA-UHFFFAOYSA-N 0 0 333.413 2.483 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc(C)c1 ZINC000004099505 201589380 /nfs/dbraw/zinc/58/93/80/201589380.db2.gz MQFJELARWFGEHX-FFSVYQOJSA-N 0 0 327.380 2.251 50 30 EEEARN COc1ccc(N2CC(=O)C(c3ccccc3)=C2N)c([N+](=O)[O-])c1 ZINC000005659743 201658196 /nfs/dbraw/zinc/65/81/96/201658196.db2.gz ISODJMCILVEAQD-UHFFFAOYSA-N 0 0 325.324 2.320 50 30 EEEARN CC(=O)Nc1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 ZINC000019820077 212072382 /nfs/dbraw/zinc/07/23/82/212072382.db2.gz DLDPVBZKGOIWRI-UHFFFAOYSA-N 0 0 347.378 2.238 50 30 EEEARN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000104308268 204104231 /nfs/dbraw/zinc/10/42/31/204104231.db2.gz JUWCVTYPHBWTAI-SDXDJHTJSA-N 0 0 347.396 2.345 50 30 EEEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccon2)cc1 ZINC000012265055 211331864 /nfs/dbraw/zinc/33/18/64/211331864.db2.gz QYLHZIPKSHSVAM-VMPITWQZSA-N 0 0 328.324 2.435 50 30 EEEARN O=C1C[C@H](c2ccc(C#CCCO)cc2)c2c(nc3ccccn32)CN1 ZINC000065468735 296349412 /nfs/dbraw/zinc/34/94/12/296349412.db2.gz KMGXTKYJNQRAKJ-QGZVFWFLSA-N 0 0 345.402 2.220 50 30 EEEARN COC(=O)C[C@H]1Oc2ccccc2N(Cc2cccc(C#N)c2)C1=O ZINC000055360902 132194793 /nfs/dbraw/zinc/19/47/93/132194793.db2.gz HJUIJJHHRYSODK-QGZVFWFLSA-N 0 0 336.347 2.416 50 30 EEEARN COc1cc([C@@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)ccc1O ZINC000040287934 295020492 /nfs/dbraw/zinc/02/04/92/295020492.db2.gz ZNPUQHKSUUOOKE-QGZVFWFLSA-N 0 0 336.351 2.491 50 30 EEEARN CC[NH+](CC)CCOC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000022016119 463043950 /nfs/dbraw/zinc/04/39/50/463043950.db2.gz LSCDCCPLBKINRS-UHFFFAOYSA-N 0 0 334.825 2.301 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000237404 462550301 /nfs/dbraw/zinc/55/03/01/462550301.db2.gz KMQYZWJNPAKLOK-NHYWBVRUSA-N 0 0 346.339 2.058 50 30 EEEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1 ZINC000000447491 462563766 /nfs/dbraw/zinc/56/37/66/462563766.db2.gz FVZWGZOXCZCEQM-VXLYETTFSA-N 0 0 344.440 2.438 50 30 EEEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc([N+](=O)[O-])cn1 ZINC000001067205 462576738 /nfs/dbraw/zinc/57/67/38/462576738.db2.gz CUJSRPCXMWBNJR-QMMMGPOBSA-N 0 0 331.357 2.413 50 30 EEEARN N#Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000002622771 462596594 /nfs/dbraw/zinc/59/65/94/462596594.db2.gz XYCBMCYGXWSCQJ-UHFFFAOYSA-N 0 0 345.742 2.167 50 30 EEEARN N#CCC[n+]1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1 ZINC000005274770 462653667 /nfs/dbraw/zinc/65/36/67/462653667.db2.gz XWDNTBPUAHNKMU-UHFFFAOYSA-O 0 0 334.359 2.031 50 30 EEEARN COc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1O ZINC000005720214 462667609 /nfs/dbraw/zinc/66/76/09/462667609.db2.gz TUTNMIPURSZZKZ-CXUHLZMHSA-N 0 0 340.788 2.367 50 30 EEEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N=C(NN=Cc2ccco2)S1 ZINC000005774587 462668480 /nfs/dbraw/zinc/66/84/80/462668480.db2.gz PVQSWVJASJUFDE-NWRYFCBHSA-N 0 0 342.380 2.230 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000006752705 462702757 /nfs/dbraw/zinc/70/27/57/462702757.db2.gz GKZRDJYXWGJUDF-SIXWZSSISA-N 0 0 342.395 2.208 50 30 EEEARN C=CCOc1c(Br)cc(CNn2cnnc2)cc1OC ZINC000007541557 462740173 /nfs/dbraw/zinc/74/01/73/462740173.db2.gz BCZMHSWKTHDCEG-UHFFFAOYSA-N 0 0 339.193 2.358 50 30 EEEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000007612601 462742621 /nfs/dbraw/zinc/74/26/21/462742621.db2.gz QVVUANVJLWYPHW-UHFFFAOYSA-N 0 0 341.392 2.486 50 30 EEEARN COc1cc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)ccc1O ZINC000065533842 462792253 /nfs/dbraw/zinc/79/22/53/462792253.db2.gz ZWTRGRFUCLSOIX-UHFFFAOYSA-N 0 0 329.352 2.046 50 30 EEEARN CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1 ZINC000011218085 462829236 /nfs/dbraw/zinc/82/92/36/462829236.db2.gz MHALAIQZLBMQJN-UHFFFAOYSA-N 0 0 333.340 2.458 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1cccc(C)c1 ZINC000013147442 462885157 /nfs/dbraw/zinc/88/51/57/462885157.db2.gz MQFJELARWFGEHX-GHJWDPDVSA-N 0 0 327.380 2.251 50 30 EEEARN CN1CCN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000013117987 462885419 /nfs/dbraw/zinc/88/54/19/462885419.db2.gz CQLRKHPRACPSLN-GOSISDBHSA-N 0 0 341.436 2.236 50 30 EEEARN CC(=O)Nc1ccc(N=Nc2c(N)nn(-c3ccccc3)c2N)cc1 ZINC000018207737 463009559 /nfs/dbraw/zinc/00/95/59/463009559.db2.gz VTMPFFHSATWUGR-UXEVOBASSA-N 0 0 335.371 2.183 50 30 EEEARN O=C1CCCC2=Nc3ncnn3[C@H](c3coc4ccccc4c3=O)C12 ZINC000018195729 463009957 /nfs/dbraw/zinc/00/99/57/463009957.db2.gz UCYUKFZXEDHKOG-MRXNPFEDSA-N 0 0 334.335 2.407 50 30 EEEARN CC(C)c1nnc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)[nH]1 ZINC000095477587 463092227 /nfs/dbraw/zinc/09/22/27/463092227.db2.gz ULNMTJFLQBJCCY-UHFFFAOYSA-N 0 0 338.371 2.440 50 30 EEEARN CCOCc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1 ZINC000101181229 463376547 /nfs/dbraw/zinc/37/65/47/463376547.db2.gz ZKXPONWDKACEHB-ISLYRVAYSA-N 0 0 343.383 2.078 50 30 EEEARN COc1ccc(C=C2NC(=O)C(=CNCc3ccccc3)C2=O)cc1 ZINC000109979444 463653565 /nfs/dbraw/zinc/65/35/65/463653565.db2.gz YNNSEEMAALTRDS-JFHMYIOBSA-N 0 0 334.375 2.409 50 30 EEEARN COc1cccc(C=NN2CCN(c3ccccn3)CC2)c1OC ZINC000244723916 464461391 /nfs/dbraw/zinc/46/13/91/464461391.db2.gz MKAWJSXWJFAGFT-UHFFFAOYSA-N 0 0 326.400 2.255 50 30 EEEARN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Br ZINC000281635538 464529411 /nfs/dbraw/zinc/52/94/11/464529411.db2.gz XVHUACIYWNPUSU-TVQRCGJNSA-N 0 0 342.237 2.446 50 30 EEEARN COc1cncc(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)c1 ZINC000585132615 468983956 /nfs/dbraw/zinc/98/39/56/468983956.db2.gz FZEUNHILZVMIOW-UHFFFAOYSA-N 0 0 339.355 2.197 50 30 EEEARN C=C(C)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000016207746 518608437 /nfs/dbraw/zinc/60/84/37/518608437.db2.gz OMEBQATZARVSNQ-UHFFFAOYSA-N 0 0 335.381 2.491 50 30 EEEARN C=CCN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000020160919 518862076 /nfs/dbraw/zinc/86/20/76/518862076.db2.gz MPPJKROGRMZVST-UHFFFAOYSA-N 0 0 328.334 2.414 50 30 EEEARN COc1ccc(C(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000018173012 523770607 /nfs/dbraw/zinc/77/06/07/523770607.db2.gz ATWDGIHUINENIX-UHFFFAOYSA-N 0 0 345.311 2.089 50 30 EEEARN COc1cccc(NC(=O)COc2ccc(C(=O)OCC#N)cc2)c1 ZINC000003334785 526178164 /nfs/dbraw/zinc/17/81/64/526178164.db2.gz QNHNQLWOIPTUCA-UHFFFAOYSA-N 0 0 340.335 2.393 50 30 EEEARN CC(C)(C#N)c1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1 ZINC000426563408 535002372 /nfs/dbraw/zinc/00/23/72/535002372.db2.gz RDZZCAOAVNVNKJ-UHFFFAOYSA-N 0 0 336.395 2.417 50 30 EEEARN C=CCN1C[C@@H](C(=O)Nc2ccccc2Cn2ccnc2C)CC1=O ZINC000952862348 796040873 /nfs/dbraw/zinc/04/08/73/796040873.db2.gz OWJROIGHZWOMCD-INIZCTEOSA-N 0 0 338.411 2.213 50 30 EEEARN CCC#CCN1CCCN(C(=O)COc2cccc(OC)c2)CC1 ZINC001529191445 1121363387 /nfs/dbraw/zinc/36/33/87/1121363387.db2.gz YTCMHTJOEDVHIN-UHFFFAOYSA-N 0 0 330.428 2.022 50 30 EEEARN C=CCOc1ccc(C=C2C(=O)NC(=S)N2C(C)=O)cc1OCC ZINC000100930637 219111828 /nfs/dbraw/zinc/11/18/28/219111828.db2.gz BGCAXQWLYBODFS-LCYFTJDESA-N 0 0 346.408 2.254 50 30 EEEARN Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000007548047 201722897 /nfs/dbraw/zinc/72/28/97/201722897.db2.gz XFGABSFSYUIGCR-VIFPVBQESA-N 0 0 330.369 2.089 50 30 EEEARN Cc1nc(C2=C(N)N(c3ccc4c(c3)OCO4)CC2=O)sc1C ZINC000013690405 201909540 /nfs/dbraw/zinc/90/95/40/201909540.db2.gz QDOKLPWIMLSKIB-UHFFFAOYSA-N 0 0 329.381 2.205 50 30 EEEARN Cc1c(Cl)cnc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1C#N ZINC000685940625 539989825 /nfs/dbraw/zinc/98/98/25/539989825.db2.gz DRFGLMFJHTUKIE-MISXGVKJSA-N 0 0 346.822 2.010 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2F)nc1N ZINC000021424350 202065695 /nfs/dbraw/zinc/06/56/95/202065695.db2.gz PLPFIOOQXYRUCG-UHFFFAOYSA-N 0 0 345.334 2.416 50 30 EEEARN CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C#N)n[nH]1 ZINC000022830362 202091963 /nfs/dbraw/zinc/09/19/63/202091963.db2.gz BVDYDIOLPRAMHS-SECBINFHSA-N 0 0 332.385 2.479 50 30 EEEARN N#Cc1cccc(COC(=O)CCn2cnc3ccccc3c2=O)c1 ZINC000026229809 202139761 /nfs/dbraw/zinc/13/97/61/202139761.db2.gz GJXLJORYPSNHQE-UHFFFAOYSA-N 0 0 333.347 2.402 50 30 EEEARN Cc1nnc(N2CCC(C(=O)NCc3ccccc3)CC2)c(C#N)c1C ZINC000029427781 202187172 /nfs/dbraw/zinc/18/71/72/202187172.db2.gz IHHTWUMJCVEHRQ-UHFFFAOYSA-N 0 0 349.438 2.498 50 30 EEEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c1 ZINC000031720034 202208781 /nfs/dbraw/zinc/20/87/81/202208781.db2.gz AIRNSQXMYLRVRD-UHFFFAOYSA-N 0 0 343.364 2.316 50 30 EEEARN Cn1cnnc1-c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000032833639 202237644 /nfs/dbraw/zinc/23/76/44/202237644.db2.gz NLNXGHMMYIUTDZ-UHFFFAOYSA-N 0 0 339.380 2.155 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000032909847 202241600 /nfs/dbraw/zinc/24/16/00/202241600.db2.gz ZAEHPJADPLIDCW-UHFFFAOYSA-N 0 0 337.354 2.296 50 30 EEEARN CC[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000033024021 202247292 /nfs/dbraw/zinc/24/72/92/202247292.db2.gz XBABMEKOHSQCBE-CYBMUJFWSA-N 0 0 325.416 2.421 50 30 EEEARN C=C[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 ZINC000000390104 209566086 /nfs/dbraw/zinc/56/60/86/209566086.db2.gz QSRVJEVXKKHSJD-LLVKDONJSA-N 0 0 342.424 2.138 50 30 EEEARN C=CCn1c(SC(C(=O)OCC)=C(C)O)nnc1-c1ccncc1 ZINC000000157628 209457661 /nfs/dbraw/zinc/45/76/61/209457661.db2.gz IMHGXNGSEJJREG-ZDUSSCGKSA-N 0 0 346.412 2.139 50 30 EEEARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2C#N)[C@@H]1C ZINC000004979608 201629898 /nfs/dbraw/zinc/62/98/98/201629898.db2.gz WCIVOLDYSFAQFS-IIAWOOMASA-N 0 0 344.411 2.421 50 30 EEEARN Cc1cc(NC2CCCCC2)nc(N2CCN(CCO)CC2)c1C#N ZINC000071281658 203089618 /nfs/dbraw/zinc/08/96/18/203089618.db2.gz ZCBWXABIFMNMNZ-UHFFFAOYSA-N 0 0 343.475 2.121 50 30 EEEARN C[C@H](Cc1ccco1)NC(=O)C(=O)Nc1cc(Cl)ccc1C#N ZINC000042381907 204092220 /nfs/dbraw/zinc/09/22/20/204092220.db2.gz SHGUISGUMBVWDY-SNVBAGLBSA-N 0 0 331.759 2.491 50 30 EEEARN C=CCn1cnc2c1c(=O)n(C(C)C)c(=O)n2-c1ccc(F)c(F)c1 ZINC000037560601 204271761 /nfs/dbraw/zinc/27/17/61/204271761.db2.gz FFYWCAOUMNIYII-UHFFFAOYSA-N 0 0 346.337 2.394 50 30 EEEARN COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000007216224 206523573 /nfs/dbraw/zinc/52/35/73/206523573.db2.gz HTRZLXWVFRUFCC-UHFFFAOYSA-N 0 0 330.409 2.396 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)CCc2[nH]nc3c2CCCC3)C1 ZINC000091586420 218026205 /nfs/dbraw/zinc/02/62/05/218026205.db2.gz GKESNTPISUAWEM-IBGZPJMESA-N 0 0 331.460 2.398 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000004866726 210307408 /nfs/dbraw/zinc/30/74/08/210307408.db2.gz NEECLHXXSIOOAS-UHFFFAOYSA-N 0 0 346.408 2.412 50 30 EEEARN C=CCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000008041667 258018018 /nfs/dbraw/zinc/01/80/18/258018018.db2.gz BRNIPFHSOBUKTC-UHFFFAOYSA-N 0 0 330.837 2.188 50 30 EEEARN Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccccc3F)c(=O)n2c1 ZINC000006809465 281163221 /nfs/dbraw/zinc/16/32/21/281163221.db2.gz ZJJDQGHLKYGBKE-UHFFFAOYSA-N 0 0 346.321 2.318 50 30 EEEARN CCOc1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000084611 462541010 /nfs/dbraw/zinc/54/10/10/462541010.db2.gz QGOFVBUOPUXXLA-GZTJUZNOSA-N 0 0 329.381 2.158 50 30 EEEARN COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1C[C@H]1CCCO1 ZINC000000381129 462558362 /nfs/dbraw/zinc/55/83/62/462558362.db2.gz BWYNYTLNIVQSCS-WBMJQRKESA-N 0 0 331.368 2.159 50 30 EEEARN O=C1CSC(=S)N1/N=C/c1cc(Br)ccc1O ZINC000001513831 462584208 /nfs/dbraw/zinc/58/42/08/462584208.db2.gz CXUQOYKAJBBLPQ-UUILKARUSA-N 0 0 331.216 2.349 50 30 EEEARN N#Cc1c2n3c(nn2c2c4ccccc4oc(=O)c2c1=O)CCCCC3 ZINC000003202875 462612796 /nfs/dbraw/zinc/61/27/96/462612796.db2.gz ULMZIHCNXLNJGR-UHFFFAOYSA-N 0 0 346.346 2.354 50 30 EEEARN COc1cc(C=NNC(=N)N)ccc1OC(=O)c1ccccc1Cl ZINC000004599106 462635686 /nfs/dbraw/zinc/63/56/86/462635686.db2.gz RIOBJIABFDFODS-AWQFTUOYSA-N 0 0 346.774 2.175 50 30 EEEARN Cc1c(Cl)cccc1-n1ccn2c(SCC#N)nnc2c1=O ZINC000046047704 462640737 /nfs/dbraw/zinc/64/07/37/462640737.db2.gz LMZDQWQXXGQFQM-UHFFFAOYSA-N 0 0 331.788 2.458 50 30 EEEARN CC/N=C1\S[C@@H](C(=O)Nc2cccc(OC)c2)CC(=O)N1CC ZINC000008618398 462790499 /nfs/dbraw/zinc/79/04/99/462790499.db2.gz ZEMYLZUWVMPUDA-VLUKHXRESA-N 0 0 335.429 2.364 50 30 EEEARN C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]1(C)[C@H](C[C@H]3O)C(C)(C)CC[C@@H]1O ZINC000008829474 462795688 /nfs/dbraw/zinc/79/56/88/462795688.db2.gz VSDVMWBRICFVRW-BIGDWJEQSA-N 0 0 334.456 2.067 50 30 biogenic,in-vitro EEEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ncc[nH]1 ZINC000012348421 462851497 /nfs/dbraw/zinc/85/14/97/462851497.db2.gz RHWCERSDQPBOTD-OAHLLOKOSA-N 0 0 347.378 2.453 50 30 EEEARN Cc1nc2ccccc2c(=O)n1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000012943724 462877029 /nfs/dbraw/zinc/87/70/29/462877029.db2.gz LRMQZFZRQPOZBH-OAHLLOKOSA-N 0 0 335.363 2.017 50 30 EEEARN N#Cc1ncn(Cc2cc(=O)oc3cc(Br)ccc23)n1 ZINC000014143686 462913098 /nfs/dbraw/zinc/91/30/98/462913098.db2.gz RASKNIKXLXCECR-UHFFFAOYSA-N 0 0 331.129 2.067 50 30 EEEARN CCc1ccc(-c2nnn(CC(=O)Nc3sccc3C#N)n2)cc1 ZINC000014140957 462913514 /nfs/dbraw/zinc/91/35/14/462913514.db2.gz IOOIPHIOIPSHTG-UHFFFAOYSA-N 0 0 338.396 2.474 50 30 EEEARN C=CCN1C(C(C)=O)=C(OC(=O)CCC)c2ccccc2S1(=O)=O ZINC000015669425 462958687 /nfs/dbraw/zinc/95/86/87/462958687.db2.gz LZSKLZNVVUELFX-UHFFFAOYSA-N 0 0 349.408 2.478 50 30 EEEARN C=CCc1cc(-c2nccn2Cc2cc(=O)[nH]cn2)cc(OC)c1O ZINC000077472071 462989912 /nfs/dbraw/zinc/98/99/12/462989912.db2.gz IFYZTJIDAXLMQO-UHFFFAOYSA-N 0 0 338.367 2.124 50 30 EEEARN COc1cccc2[nH]c3c([nH]c(=O)n(N=Cc4ccc(C)cc4)c3=O)c21 ZINC000017197575 462997031 /nfs/dbraw/zinc/99/70/31/462997031.db2.gz JKJUDAIUHANKRM-KEBDBYFISA-N 0 0 348.362 2.370 50 30 EEEARN CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1C#N ZINC000018094139 463005729 /nfs/dbraw/zinc/00/57/29/463005729.db2.gz LXEAHMJGOWNALV-ZDUSSCGKSA-N 0 0 328.397 2.459 50 30 EEEARN COc1ccc(C=C2NC(=O)C(=CNCc3ccccc3)C2=O)cc1 ZINC000103993481 463407170 /nfs/dbraw/zinc/40/71/70/463407170.db2.gz YNNSEEMAALTRDS-UBIHXLPUSA-N 0 0 334.375 2.409 50 30 EEEARN COC(=O)[C@]1(C)C[C@H]2CC(=O)C=C[C@@]2(S(=O)(=O)c2ccccc2)C1 ZINC000071786200 463424689 /nfs/dbraw/zinc/42/46/89/463424689.db2.gz KCROTFDWPSWGDJ-FSPWUOQZSA-N 0 0 348.420 2.317 50 30 EEEARN Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000106783959 463535847 /nfs/dbraw/zinc/53/58/47/463535847.db2.gz PFJSEDKJZUENGZ-IEBWSBKVSA-N 0 0 343.475 2.163 50 30 EEEARN CC(C)c1nc(CCNC(=O)c2cccc(C#CC(C)(C)O)c2)no1 ZINC000299771186 465886848 /nfs/dbraw/zinc/88/68/48/465886848.db2.gz WGORIWXJCIAGJY-UHFFFAOYSA-N 0 0 341.411 2.288 50 30 EEEARN COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000011530865 523772160 /nfs/dbraw/zinc/77/21/60/523772160.db2.gz LOJKESZLCNLWNO-XIKOKIGWSA-N 0 0 348.399 2.304 50 30 EEEARN COc1ccccc1CC(=N)NOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004685093 524366721 /nfs/dbraw/zinc/36/67/21/524366721.db2.gz KRFCCCVNLHHWJY-UHFFFAOYSA-N 0 0 329.312 2.275 50 30 EEEARN Cc1cccc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c1C ZINC000018161852 524721505 /nfs/dbraw/zinc/72/15/05/524721505.db2.gz DFRZIZSPMMGJQL-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@]1(O)C(=O)Nc2ccccc21 ZINC000012660715 527656809 /nfs/dbraw/zinc/65/68/09/527656809.db2.gz AJJYRWYJJMMKIT-SUOMESGTSA-N 0 0 337.331 2.228 50 30 biogenic EEEARN CCOc1ccc(-c2noc(CNC(=O)c3cccc(C#N)c3)n2)cn1 ZINC000225816195 535693573 /nfs/dbraw/zinc/69/35/73/535693573.db2.gz FIGQVUADNJRCRT-UHFFFAOYSA-N 0 0 349.350 2.332 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N(CCO)Cc2ccc(F)cc2)o1 ZINC001506415689 1114600846 /nfs/dbraw/zinc/60/08/46/1114600846.db2.gz BRNRJOKHZKRVQP-UHFFFAOYSA-N 0 0 345.370 2.176 50 30 EEEARN COc1ccc(NC=C2C(=O)C=C(C)OC2=O)cc1-c1nnc(C)o1 ZINC001547200873 1124226917 /nfs/dbraw/zinc/22/69/17/1124226917.db2.gz MURYQRBZQAWYFD-MDWZMJQESA-N 0 0 341.323 2.379 50 30 EEEARN COc1cccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@@H](C(C)C)C3)c1 ZINC000006760621 201695544 /nfs/dbraw/zinc/69/55/44/201695544.db2.gz FJKMXBFQYLAQEI-QGZVFWFLSA-N 0 0 339.395 2.397 50 30 EEEARN Cc1nnc([C@@]23COC[C@@H]2CN(c2c(Cl)cccc2C#N)C3)o1 ZINC000685941420 539989705 /nfs/dbraw/zinc/98/97/05/539989705.db2.gz BNOQMHBCJZVYFW-LRDDRELGSA-N 0 0 330.775 2.308 50 30 EEEARN N#Cc1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N ZINC000100429250 283118322 /nfs/dbraw/zinc/11/83/22/283118322.db2.gz ATRCOXJEJQSVCM-UHFFFAOYSA-N 0 0 327.347 2.049 50 30 EEEARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cccc(C#N)c1 ZINC000027556332 202156138 /nfs/dbraw/zinc/15/61/38/202156138.db2.gz ATSXPQWINKBROL-LBPRGKRZSA-N 0 0 327.409 2.157 50 30 EEEARN COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C#N)cc2)c1 ZINC000032912604 202241824 /nfs/dbraw/zinc/24/18/24/202241824.db2.gz AEUSKOSVFLNBEF-INIZCTEOSA-N 0 0 341.367 2.431 50 30 EEEARN CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000111185930 237138810 /nfs/dbraw/zinc/13/88/10/237138810.db2.gz SNCUGDXTWYRUMF-QGZVFWFLSA-N 0 0 348.834 2.262 50 30 EEEARN Cc1oc(-c2nc(C#N)c(NC(C)C)o2)cc1S(=O)(=O)N(C)C ZINC000040288427 202432357 /nfs/dbraw/zinc/43/23/57/202432357.db2.gz WECVTMGBXANHIC-UHFFFAOYSA-N 0 0 338.389 2.185 50 30 EEEARN COc1cccc(CNC(=O)CSc2ncccc2C#N)c1OC ZINC000071326946 203092401 /nfs/dbraw/zinc/09/24/01/203092401.db2.gz UGYRRQDWFWTGBD-UHFFFAOYSA-N 0 0 343.408 2.379 50 30 EEEARN COC(=O)c1ccc(-c2nc(Cn3cnc(C#N)c3C#N)co2)cc1 ZINC000126539576 205060816 /nfs/dbraw/zinc/06/08/16/205060816.db2.gz HGUQLACNPLQGLX-UHFFFAOYSA-N 0 0 333.307 2.116 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccccc1)CC2 ZINC000091873184 218082166 /nfs/dbraw/zinc/08/21/66/218082166.db2.gz TWXFTXRXGOZMHJ-SFHVURJKSA-N 0 0 342.439 2.137 50 30 EEEARN C=CC[C@@]1(CO)CCCN(S(=O)(=O)Cc2ccccc2F)C1 ZINC000091896193 218085444 /nfs/dbraw/zinc/08/54/44/218085444.db2.gz GOJYAGZWTFRHBE-MRXNPFEDSA-N 0 0 327.421 2.306 50 30 EEEARN C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000004833467 210292123 /nfs/dbraw/zinc/29/21/23/210292123.db2.gz YQSIHHREZYUOKC-OAHLLOKOSA-N 0 0 332.356 2.061 50 30 EEEARN Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N2CCOCC2)o1 ZINC000024573467 257836007 /nfs/dbraw/zinc/83/60/07/257836007.db2.gz GOXAORZWSLTANQ-QGZVFWFLSA-N 0 0 339.395 2.263 50 30 EEEARN C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CCCC)cc2)C1=O ZINC000006590736 258044831 /nfs/dbraw/zinc/04/48/31/258044831.db2.gz MYCMYHXHJYVOMW-UHFFFAOYSA-N 0 0 328.368 2.189 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 ZINC000091620613 258014628 /nfs/dbraw/zinc/01/46/28/258014628.db2.gz JXBHSCHRDAGRFS-FQEVSTJZSA-N 0 0 342.439 2.210 50 30 EEEARN CN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000015776846 277217014 /nfs/dbraw/zinc/21/70/14/277217014.db2.gz OWJHNCCIYIXONQ-VKAVYKQESA-N 0 0 341.283 2.296 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000012349080 280892370 /nfs/dbraw/zinc/89/23/70/280892370.db2.gz MIECPVAJXRZYAC-CQSZACIVSA-N 0 0 340.343 2.239 50 30 EEEARN COc1cc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000001430787 295025548 /nfs/dbraw/zinc/02/55/48/295025548.db2.gz NSIQVASPKPPKFK-LLVKDONJSA-N 0 0 331.368 2.323 50 30 EEEARN COc1cc([C@H]2NC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000067299 295026089 /nfs/dbraw/zinc/02/60/89/295026089.db2.gz YXRHHRQJPSGUEK-OAHLLOKOSA-N 0 0 332.356 2.073 50 30 EEEARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1/N=C/c1cccnc1 ZINC000002523151 462594980 /nfs/dbraw/zinc/59/49/80/462594980.db2.gz ZSHRMKOQLGTCPH-RGVLZGJSSA-N 0 0 330.351 2.168 50 30 EEEARN COCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000003088899 462610238 /nfs/dbraw/zinc/61/02/38/462610238.db2.gz QYQDUTFBWMWGNF-OAHLLOKOSA-N 0 0 343.379 2.167 50 30 EEEARN N#Cc1ccccc1NC(=O)COC(=O)Cn1cnc2ccccc21 ZINC000003280026 462614516 /nfs/dbraw/zinc/61/45/16/462614516.db2.gz DHHFXQKJGCMZMM-UHFFFAOYSA-N 0 0 334.335 2.090 50 30 EEEARN N#Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 ZINC000003504183 462620866 /nfs/dbraw/zinc/62/08/66/462620866.db2.gz WNXRKYOEMNWGFO-UHFFFAOYSA-N 0 0 336.380 2.265 50 30 EEEARN Cc1c(NC(=S)N(C)CCC#N)c(=O)n(-c2ccccc2)n1C ZINC000003627098 462625004 /nfs/dbraw/zinc/62/50/04/462625004.db2.gz KQEKMHNRAMXWJW-UHFFFAOYSA-N 0 0 329.429 2.027 50 30 EEEARN O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)C31CC1 ZINC000004480928 462632601 /nfs/dbraw/zinc/63/26/01/462632601.db2.gz MDGVFZYSSMDXTB-ZVWTZBBHSA-N 0 0 337.335 2.126 50 30 EEEARN COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)NC(=O)N1 ZINC000006668047 462696343 /nfs/dbraw/zinc/69/63/43/462696343.db2.gz SGYBCDQFLNSPMR-HNNXBMFYSA-N 0 0 336.347 2.351 50 30 EEEARN N#Cc1nc(CN2C(=O)c3ccccc3C2=O)oc1N1CCCCC1 ZINC000011614603 462835479 /nfs/dbraw/zinc/83/54/79/462835479.db2.gz ZFOLAHHFEYFUPI-UHFFFAOYSA-N 0 0 336.351 2.333 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)CCc3cccs3)CC2)c1 ZINC000012948840 462877330 /nfs/dbraw/zinc/87/73/30/462877330.db2.gz WLRKJSICUBUIHP-UHFFFAOYSA-N 0 0 326.425 2.296 50 30 EEEARN N#Cc1ccc(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012976886 462878167 /nfs/dbraw/zinc/87/81/67/462878167.db2.gz GTSJLVVZICTEFE-INIZCTEOSA-N 0 0 330.409 2.341 50 30 EEEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)[C@H]1CC=CCC1 ZINC000012975060 462878268 /nfs/dbraw/zinc/87/82/68/462878268.db2.gz VBDYIMGFFGOECC-ZDUSSCGKSA-N 0 0 347.440 2.452 50 30 EEEARN C#CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049031833 462951369 /nfs/dbraw/zinc/95/13/69/462951369.db2.gz DLXNMEMQLFXDLN-ZDUSSCGKSA-N 0 0 327.833 2.391 50 30 EEEARN COC(=O)c1n[nH]cc1-c1c2c(nc(N)c1C#N)-c1ccccc1C2 ZINC000067433398 463004981 /nfs/dbraw/zinc/00/49/81/463004981.db2.gz HFLNOFGRIAAPET-UHFFFAOYSA-N 0 0 331.335 2.283 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000101918684 463382730 /nfs/dbraw/zinc/38/27/30/463382730.db2.gz OMWNOKJYQHLARR-HNNXBMFYSA-N 0 0 331.335 2.228 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000004838961 518957709 /nfs/dbraw/zinc/95/77/09/518957709.db2.gz BIXYHLZRRJKGMU-UHFFFAOYSA-N 0 0 346.408 2.168 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1/C=C\c1ccccc1OC ZINC000033446647 518971198 /nfs/dbraw/zinc/97/11/98/518971198.db2.gz JCFGNHSQKKWCNT-CFYYFVFUSA-N 0 0 328.368 2.393 50 30 EEEARN C=CCn1c(Cl)c(C=O)s/c1=N\S(=O)(=O)c1ccccc1 ZINC000013843052 519193894 /nfs/dbraw/zinc/19/38/94/519193894.db2.gz DWFQWALRLWORDC-SQFISAMPSA-N 0 0 342.829 2.491 50 30 EEEARN COC(=O)c1cc(C#N)c(=O)n(CCOc2cc(C)ccc2C)c1 ZINC000025963254 521798789 /nfs/dbraw/zinc/79/87/89/521798789.db2.gz CPQUVRBAMWWYRZ-UHFFFAOYSA-N 0 0 326.352 2.202 50 30 EEEARN COc1ccc2[nH]c(CCNC(=O)N3CCC(C#N)CC3)nc2c1 ZINC000426662383 537049769 /nfs/dbraw/zinc/04/97/69/537049769.db2.gz VUUVPRNZLXIGPV-UHFFFAOYSA-N 0 0 327.388 2.059 50 30 EEEARN OCC#Cc1csc(CN2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000828644640 800791519 /nfs/dbraw/zinc/79/15/19/800791519.db2.gz QFWVFMFSNZHSIM-UHFFFAOYSA-N 0 0 342.464 2.115 50 30 EEEARN C=C(C)COc1ccccc1C(=O)NCC(=O)Nc1nccs1 ZINC000055153662 214280597 /nfs/dbraw/zinc/28/05/97/214280597.db2.gz HIQOWCQBBJRKHI-UHFFFAOYSA-N 0 0 331.397 2.467 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N[C@H](C)c1nncn1CCOC ZINC000055413313 214321295 /nfs/dbraw/zinc/32/12/95/214321295.db2.gz SKVANMDLBKXTIB-CQSZACIVSA-N 0 0 344.415 2.370 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000004113616 210123515 /nfs/dbraw/zinc/12/35/15/210123515.db2.gz JBESNXINOYGXMX-MRXNPFEDSA-N 0 0 346.383 2.451 50 30 EEEARN CS[C@@H]1CS(=O)(=O)CC1=NOC(=O)Nc1ccc(C)cc1 ZINC000012954855 201877669 /nfs/dbraw/zinc/87/76/69/201877669.db2.gz HHWPVVWLRXJSOL-QJMZJAKPSA-N 0 0 328.415 2.060 50 30 EEEARN N#Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000023054985 283160469 /nfs/dbraw/zinc/16/04/69/283160469.db2.gz NDDJMNLRJKKFIE-UHFFFAOYSA-N 0 0 342.380 2.490 50 30 EEEARN N#Cc1nc(COc2ccc(F)cc2)oc1NCCN1CCOCC1 ZINC000019973725 202028771 /nfs/dbraw/zinc/02/87/71/202028771.db2.gz JYVWUVPIWOJRMO-UHFFFAOYSA-N 0 0 346.362 2.008 50 30 EEEARN CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000023829112 202110152 /nfs/dbraw/zinc/11/01/52/202110152.db2.gz KHNBOYDRDZPVQC-UHFFFAOYSA-N 0 0 337.379 2.400 50 30 EEEARN CS(=O)(=O)Nc1cc(NC(=O)C2(C#N)CCCC2)ccc1F ZINC000024462473 202116320 /nfs/dbraw/zinc/11/63/20/202116320.db2.gz GWWSBJMUGYNMLY-UHFFFAOYSA-N 0 0 325.365 2.220 50 30 EEEARN CCCc1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000029452375 202186736 /nfs/dbraw/zinc/18/67/36/202186736.db2.gz YTGPULCYMOABCC-CYBMUJFWSA-N 0 0 326.404 2.172 50 30 EEEARN Cn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O ZINC000032480741 202225480 /nfs/dbraw/zinc/22/54/80/202225480.db2.gz SRUJCGHSMDKKEK-UHFFFAOYSA-N 0 0 334.335 2.088 50 30 EEEARN N#Cc1ccccc1COC(=O)CCn1ncc(=O)c2ccccc21 ZINC000032829159 202237895 /nfs/dbraw/zinc/23/78/95/202237895.db2.gz GZVNBCYYBXSWPM-UHFFFAOYSA-N 0 0 333.347 2.402 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000013152754 291301342 /nfs/dbraw/zinc/30/13/42/291301342.db2.gz OWWUNWWEYSRQAA-UAKXVISKSA-N 0 0 331.343 2.081 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccccc1C ZINC000006819984 291301823 /nfs/dbraw/zinc/30/18/23/291301823.db2.gz BKEPXBJNGPWEGT-FFSVYQOJSA-N 0 0 327.380 2.251 50 30 EEEARN COc1ccc(O)c(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000442102 201473788 /nfs/dbraw/zinc/47/37/88/201473788.db2.gz QQJPOIRTJHRVAV-CXUHLZMHSA-N 0 0 340.788 2.367 50 30 EEEARN COc1cc(C=NN2C(=S)N=NC2c2ccncc2)ccc1O ZINC000002336568 201530167 /nfs/dbraw/zinc/53/01/67/201530167.db2.gz BJAHWIWBJFFGEK-RQZCQDPDSA-N 0 0 327.369 2.225 50 30 EEEARN N#CCSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1 ZINC000002971438 201552204 /nfs/dbraw/zinc/55/22/04/201552204.db2.gz IOXFVMAWOXZWKS-UHFFFAOYSA-N 0 0 336.376 2.396 50 30 EEEARN NC1=C(c2ccccc2)C(=O)CN1NC(=O)c1ccc(Cl)cc1 ZINC000003216444 201559986 /nfs/dbraw/zinc/55/99/86/201559986.db2.gz AVILVKFORZYOBY-UHFFFAOYSA-N 0 0 327.771 2.197 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000102727711 204047017 /nfs/dbraw/zinc/04/70/17/204047017.db2.gz NGRSEHHLFNJPKL-IDTYTIONSA-N 0 0 345.326 2.487 50 30 EEEARN Cc1nn(Cc2cccc(C#N)c2)c(C)c1S(=O)(=O)NC(C)(C)C ZINC000122703530 204883681 /nfs/dbraw/zinc/88/36/81/204883681.db2.gz ZUXVUAOIDRUPLQ-UHFFFAOYSA-N 0 0 346.456 2.497 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C ZINC000101144940 206268511 /nfs/dbraw/zinc/26/85/11/206268511.db2.gz QTQAXYDCNKGTPR-UQTJOTSZSA-N 0 0 346.339 2.248 50 30 EEEARN COC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2C#N)c1 ZINC000008183682 206529194 /nfs/dbraw/zinc/52/91/94/206529194.db2.gz GKQRUOOGYDKORI-UHFFFAOYSA-N 0 0 330.365 2.287 50 30 EEEARN C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000007463286 258043025 /nfs/dbraw/zinc/04/30/25/258043025.db2.gz OWHWLYFZCOFVMI-XJKSGUPXSA-N 0 0 333.384 2.092 50 30 EEEARN Cc1ccc(C(=O)C2=C(O)C(=O)OC23C(=O)c2ccccc2C3=O)cc1 ZINC000005818238 292047430 /nfs/dbraw/zinc/04/74/30/292047430.db2.gz PVOGKZQMOBMZIM-UHFFFAOYSA-N 0 0 348.310 2.365 50 30 EEEARN COc1ccc(C2CC(=O)C(=C3N[C@@H]4CCCC[C@H]4N3)C(=O)C2)cc1 ZINC000009287832 277408323 /nfs/dbraw/zinc/40/83/23/277408323.db2.gz RTXBEJBENSJEGR-HZPDHXFCSA-N 0 0 340.423 2.426 50 30 EEEARN CSc1nc(NN)cc([C@@H](C#N)c2nc3ccccc3n2C)n1 ZINC000000534358 462568717 /nfs/dbraw/zinc/56/87/17/462568717.db2.gz NZQVLIBKPUQNPA-SECBINFHSA-N 0 0 325.401 2.026 50 30 EEEARN N#CCCCN1c2ccccc2[C@](O)(CC(=O)c2ccncc2)C1=O ZINC000004545738 462633715 /nfs/dbraw/zinc/63/37/15/462633715.db2.gz MXXFPDWFNYIEMX-LJQANCHMSA-N 0 0 335.363 2.193 50 30 EEEARN CCOC(=O)[C@@H]1CCCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 ZINC000004629006 462635086 /nfs/dbraw/zinc/63/50/86/462635086.db2.gz UADLWYIKOJVFCT-LLVKDONJSA-N 0 0 328.328 2.118 50 30 EEEARN COc1ccc2c(c1)/C(=N\NC(=S)Nc1ccccc1)C(=O)N2 ZINC000005393940 462658496 /nfs/dbraw/zinc/65/84/96/462658496.db2.gz LJJHOVXRSRFDFF-UHFFFAOYSA-N 0 0 326.381 2.338 50 30 EEEARN C=CCNC(=S)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000005638994 462665310 /nfs/dbraw/zinc/66/53/10/462665310.db2.gz MYJHIANZSOCWJQ-GZTJUZNOSA-N 0 0 329.385 2.370 50 30 EEEARN C=CCNC(=S)N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc21 ZINC000005830674 462669843 /nfs/dbraw/zinc/66/98/43/462669843.db2.gz XIOVZPXALDHDHA-RQZCQDPDSA-N 0 0 330.369 2.438 50 30 EEEARN Cc1ccc(NC(=O)COc2ncc([N+](=O)[O-])cc2C#N)cc1C ZINC000006584314 462690771 /nfs/dbraw/zinc/69/07/71/462690771.db2.gz PKWFQLJLJHWUGK-UHFFFAOYSA-N 0 0 326.312 2.496 50 30 EEEARN CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(C#N)c1 ZINC000007248188 462727154 /nfs/dbraw/zinc/72/71/54/462727154.db2.gz FBKYYRWMGXJIQG-AWEZNQCLSA-N 0 0 344.392 2.019 50 30 EEEARN C=CCNc1ccccc1C(=O)NCc1noc([C@H]2CCCO2)n1 ZINC000065371496 462760262 /nfs/dbraw/zinc/76/02/62/462760262.db2.gz DJZBJLHWKLQMGR-CQSZACIVSA-N 0 0 328.372 2.449 50 30 EEEARN COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2)NC(=O)N1 ZINC000008718078 462792016 /nfs/dbraw/zinc/79/20/16/462792016.db2.gz 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/nfs/dbraw/zinc/00/34/84/463003484.db2.gz GZFBPKGBJPZXAM-WPCFGXOUSA-N 0 0 335.429 2.364 50 30 EEEARN O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1nnc(C2CC2)[nH]1 ZINC000095473843 463091692 /nfs/dbraw/zinc/09/16/92/463091692.db2.gz HTLMACYSRPJVQF-UHFFFAOYSA-N 0 0 336.355 2.194 50 30 EEEARN Cc1sc2ncnc(NCCNC(=O)C3N=CC=CC3=O)c2c1C ZINC000101051558 463376633 /nfs/dbraw/zinc/37/66/33/463376633.db2.gz HXFLEVDEMCLZQS-FYWRMAATSA-N 0 0 343.412 2.246 50 30 EEEARN COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000102771135 463391184 /nfs/dbraw/zinc/39/11/84/463391184.db2.gz KHKUZNBXTPZGTO-YYRKOSNBSA-N 0 0 349.346 2.229 50 30 EEEARN CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CC[C@H]1OS(C)(=O)=O ZINC000043198743 463627961 /nfs/dbraw/zinc/62/79/61/463627961.db2.gz NSBVGQKHZOQIDR-HUUCEWRRSA-N 0 0 340.441 2.478 50 30 EEEARN Cc1nc(CN2CCN(c3nc(C)cc(C)c3C#N)CC2)oc1C ZINC000110535832 463659080 /nfs/dbraw/zinc/65/90/80/463659080.db2.gz FOSSDFQYQAOMBU-UHFFFAOYSA-N 0 0 325.416 2.497 50 30 EEEARN N#CCCN(C(=O)COC(=O)c1ccncc1)c1ccc(F)cc1 ZINC000008313247 526450164 /nfs/dbraw/zinc/45/01/64/526450164.db2.gz MSSJYKDZHHETDX-UHFFFAOYSA-N 0 0 327.315 2.324 50 30 EEEARN O=C(CN1CCN(C(=O)c2ccc3ccccc3n2)CC1)NC1CC1 ZINC000024014124 526734852 /nfs/dbraw/zinc/73/48/52/526734852.db2.gz CNLKAXSABHYWPV-UHFFFAOYSA-N 0 0 338.411 2.112 50 30 EEEARN C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1 ZINC000004694613 210250103 /nfs/dbraw/zinc/25/01/03/210250103.db2.gz WFXFJRSQNRPFEJ-GXDHUFHOSA-N 0 0 345.376 2.298 50 30 EEEARN N#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1C(N)=O ZINC000016662351 201978184 /nfs/dbraw/zinc/97/81/84/201978184.db2.gz ZJQJIGKXXNAAEM-UHFFFAOYSA-N 0 0 335.772 2.390 50 30 EEEARN C=CCn1c(SCC(=O)N(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000002701205 209891701 /nfs/dbraw/zinc/89/17/01/209891701.db2.gz FBSGXKYJRISGGK-UHFFFAOYSA-N 0 0 349.481 2.313 50 30 EEEARN N#Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000011906572 283180126 /nfs/dbraw/zinc/18/01/26/283180126.db2.gz XJMQLMRSZGKKDO-UHFFFAOYSA-N 0 0 341.392 2.486 50 30 EEEARN N#Cc1cccc(C(=O)OCC(=O)COC(=O)c2cccc(C#N)c2)c1 ZINC000020863367 202056549 /nfs/dbraw/zinc/05/65/49/202056549.db2.gz RGBSNLHSECRDLZ-UHFFFAOYSA-N 0 0 348.314 2.013 50 30 EEEARN CCCN(CC1CC1)c1nc(N)c2c(N)nc(OC)cc2c1C#N ZINC000025720008 202135781 /nfs/dbraw/zinc/13/57/81/202135781.db2.gz QTJLJMNEZPZJLU-UHFFFAOYSA-N 0 0 326.404 2.301 50 30 EEEARN N#Cc1ncn(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000025002890 202124637 /nfs/dbraw/zinc/12/46/37/202124637.db2.gz NOJHEVRWIVYHBH-QGZVFWFLSA-N 0 0 331.379 2.250 50 30 EEEARN CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000003424281 201571169 /nfs/dbraw/zinc/57/11/69/201571169.db2.gz PTJICZVDUMFTMH-SFHVURJKSA-N 0 0 342.399 2.243 50 30 EEEARN C=CCn1c(=O)c2c(ncn2CCC)n(-c2ccc(F)cc2)c1=O ZINC000037558031 204294642 /nfs/dbraw/zinc/29/46/42/204294642.db2.gz VPVUSCKZUSXNSL-UHFFFAOYSA-N 0 0 328.347 2.084 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=C(C)Nc2ccccc2O)C(=O)CC1(C)C ZINC000100281827 206221185 /nfs/dbraw/zinc/22/11/85/206221185.db2.gz 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/nfs/dbraw/zinc/05/38/79/258053879.db2.gz LBQAFOIGUNONBX-CYBMUJFWSA-N 0 0 343.408 2.216 50 30 EEEARN C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000004192112 277856935 /nfs/dbraw/zinc/85/69/35/277856935.db2.gz JKCQZOMLVXRUMF-OLZOCXBDSA-N 0 0 342.873 2.099 50 30 EEEARN CC#CC(=O)N1CCC[C@](Cc2cccc(OC)c2)(C(=O)OCC)C1 ZINC000012226816 277922947 /nfs/dbraw/zinc/92/29/47/277922947.db2.gz OKCIOFKIONUZKR-HXUWFJFHSA-N 0 0 343.423 2.433 50 30 EEEARN COc1cc([C@@H]2NC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000067294 295021334 /nfs/dbraw/zinc/02/13/34/295021334.db2.gz YXRHHRQJPSGUEK-HNNXBMFYSA-N 0 0 332.356 2.073 50 30 EEEARN N#CCCN(Cc1cccnc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000012550796 303153068 /nfs/dbraw/zinc/15/30/68/303153068.db2.gz VMGQUCFDCQSCBW-UHFFFAOYSA-N 0 0 341.415 2.009 50 30 EEEARN N#C[C@]12C(=O)N[C@@]3(CCCC[C@H]31)O[C@@H](c1ccccc1)C2(C#N)C#N ZINC000004784755 303173669 /nfs/dbraw/zinc/17/36/69/303173669.db2.gz QFRCSMYVSDZNDF-SAKMYQHLSA-N 0 0 332.363 2.318 50 30 EEEARN COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000000381118 462558221 /nfs/dbraw/zinc/55/82/21/462558221.db2.gz KBGAOLYEZDMEMH-ZBFHGGJFSA-N 0 0 331.368 2.159 50 30 EEEARN COc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2)cc1 ZINC000004369359 462631547 /nfs/dbraw/zinc/63/15/47/462631547.db2.gz XWWWVPVXSKEYFC-GHRIWEEISA-N 0 0 349.394 2.456 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC)cc1 ZINC000004716169 462637162 /nfs/dbraw/zinc/63/71/62/462637162.db2.gz FKKXTMXLKGDDSG-HNNXBMFYSA-N 0 0 326.356 2.305 50 30 EEEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccccc1 ZINC000006050211 462675148 /nfs/dbraw/zinc/67/51/48/462675148.db2.gz OYPZSBWRPLJXBY-ZDUSSCGKSA-N 0 0 337.379 2.264 50 30 EEEARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000006787483 462704343 /nfs/dbraw/zinc/70/43/43/462704343.db2.gz YHAPMHTWCVZUPV-IBGZPJMESA-N 0 0 349.346 2.254 50 30 EEEARN C=CCNc1nnc(SCN2C(=O)c3ccccc3C2=O)s1 ZINC000007063079 462720144 /nfs/dbraw/zinc/72/01/44/462720144.db2.gz 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N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1=O ZINC000082138926 463518129 /nfs/dbraw/zinc/51/81/29/463518129.db2.gz FFQRTDOVKGUXMN-UHFFFAOYSA-N 0 0 341.317 2.325 50 30 EEEARN C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 ZINC000005050106 519202793 /nfs/dbraw/zinc/20/27/93/519202793.db2.gz UMHKOLJFDRTONM-UHFFFAOYSA-N 0 0 344.440 2.082 50 30 EEEARN COc1ccc(C(C)N=Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000004812450 523359851 /nfs/dbraw/zinc/35/98/51/523359851.db2.gz NSGGLNVXCLBXKQ-KGENOOAVSA-N 0 0 341.415 2.466 50 30 EEEARN N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000000074615 526748249 /nfs/dbraw/zinc/74/82/49/526748249.db2.gz MFWNJBHSHLEMPH-UHFFFAOYSA-N 0 0 327.409 2.069 50 30 EEEARN CCOC(=O)[C@H]1CCCN(/C=C2/Oc3c(ccc(O)c3C)C2=O)C1 ZINC000103159826 1358329990 /nfs/dbraw/zinc/32/99/90/1358329990.db2.gz HDSIJDLILVYHGI-XBUHWIKASA-N 0 0 331.368 2.392 50 30 EEEARN Cn1cc(C#N)cc1-c1nc(C2CCOCC2)nn1[C@@H]1CCOC1 ZINC001772818115 1410372130 /nfs/dbraw/zinc/37/21/30/1410372130.db2.gz MHWAEBAAWLFTDW-CQSZACIVSA-N 0 0 327.388 2.011 50 30 EEEARN C=CCN1C[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000820474861 798580387 /nfs/dbraw/zinc/58/03/87/798580387.db2.gz OHLISKIIHIBWNI-LBPRGKRZSA-N 0 0 326.318 2.356 50 30 EEEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CCN(C)S(C)(=O)=O ZINC000055575747 214331482 /nfs/dbraw/zinc/33/14/82/214331482.db2.gz DVTZEGKOSPBIRM-HOTGVXAUSA-N 0 0 340.489 2.336 50 30 EEEARN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccccc2)C1=O ZINC000020820024 202055278 /nfs/dbraw/zinc/05/52/78/202055278.db2.gz CVSPIINGVBSDOA-IBGZPJMESA-N 0 0 335.363 2.404 50 30 EEEARN CCOC(=O)N1CCC[C@H](C(=O)Oc2ccc(C#N)cc2OC)C1 ZINC000024758637 202120558 /nfs/dbraw/zinc/12/05/58/202120558.db2.gz DNWKCDDWIFGLCC-ZDUSSCGKSA-N 0 0 332.356 2.341 50 30 EEEARN Cc1cc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)no1 ZINC000027104738 202151646 /nfs/dbraw/zinc/15/16/46/202151646.db2.gz OVTWOMZSLMVIGO-UHFFFAOYSA-N 0 0 339.355 2.425 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cn3cnc([N+](=O)[O-])c3)sc2C1 ZINC000031804504 202210194 /nfs/dbraw/zinc/21/01/94/202210194.db2.gz HPCQHBVMEJDJCD-VIFPVBQESA-N 0 0 345.384 2.488 50 30 EEEARN CCN(CC)C(=O)CN(C)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000032716405 202231387 /nfs/dbraw/zinc/23/13/87/202231387.db2.gz USVYAMCAQLIWCG-UHFFFAOYSA-N 0 0 342.399 2.191 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000013152755 291301938 /nfs/dbraw/zinc/30/19/38/291301938.db2.gz OWWUNWWEYSRQAA-BCQZVRRWSA-N 0 0 331.343 2.081 50 30 EEEARN CCOC(=O)CSc1nsc(SCC(=O)OCC)c1C#N ZINC000002190307 201526343 /nfs/dbraw/zinc/52/63/43/201526343.db2.gz UBZJVVBKPRCRAD-UHFFFAOYSA-N 0 0 346.455 2.325 50 30 EEEARN C[C@@H]1C[C@@H](C)CN(C(=O)COCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000004700045 201612748 /nfs/dbraw/zinc/61/27/48/201612748.db2.gz QGSPEJVOEZIIFE-ZIAGYGMSSA-N 0 0 329.400 2.018 50 30 EEEARN N#Cc1ccc(N[C@H]2C[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)nc1 ZINC000253534896 244007661 /nfs/dbraw/zinc/00/76/61/244007661.db2.gz RYFIFRCHCMIWHY-OKILXGFUSA-N 0 0 336.399 2.407 50 30 EEEARN C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000012379627 211359716 /nfs/dbraw/zinc/35/97/16/211359716.db2.gz OUXKPDIGWVAZJM-OAHLLOKOSA-N 0 0 341.411 2.199 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2 ZINC000091933169 218090077 /nfs/dbraw/zinc/09/00/77/218090077.db2.gz VFNZDBOSKPXIPK-MRXNPFEDSA-N 0 0 344.459 2.170 50 30 EEEARN C=CCNC(=O)CSc1ncc(CO)n1Cc1ccc(C)cc1 ZINC000009529060 211098604 /nfs/dbraw/zinc/09/86/04/211098604.db2.gz WYKGBHACKDJOGM-UHFFFAOYSA-N 0 0 331.441 2.126 50 30 EEEARN COC(=O)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005783079 292016788 /nfs/dbraw/zinc/01/67/88/292016788.db2.gz FEFTUAOLZHNWSJ-HNNXBMFYSA-N 0 0 328.368 2.470 50 30 EEEARN N#Cc1cccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000004904619 135667864 /nfs/dbraw/zinc/66/78/64/135667864.db2.gz HZJFUISHEJAHFN-UHFFFAOYSA-N 0 0 336.395 2.445 50 30 EEEARN Oc1ccc(C=NN2C(=S)NNC2=C2N=NC3=C2CCC3)cc1 ZINC000005460978 296590968 /nfs/dbraw/zinc/59/09/68/296590968.db2.gz DTQHUNKBXGTPLA-LZYBPNLTSA-N 0 0 326.385 2.033 50 30 EEEARN COC(=O)c1sc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C#N)c1C ZINC000102204509 277454732 /nfs/dbraw/zinc/45/47/32/277454732.db2.gz KUKOXFGXHCJLLG-NXEZZACHSA-N 0 0 330.365 2.170 50 30 EEEARN O=C(Cc1ccccc1)NC1=NN2C(=NC(=O)C[C@@H]2c2ccccc2)N1 ZINC000001276239 280274061 /nfs/dbraw/zinc/27/40/61/280274061.db2.gz PPVCQTDAWOGYEM-OAHLLOKOSA-N 0 0 347.378 2.389 50 30 EEEARN Cc1ccc(-n2c3nc4ccc(C)cn4c(=O)c3cc(C#N)c2=O)cc1 ZINC000006809472 280739057 /nfs/dbraw/zinc/73/90/57/280739057.db2.gz XQCOVCSWTYWQEL-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN CCN1CCN(c2oc(COc3ccccc3OC)nc2C#N)CC1 ZINC000000108402 462542376 /nfs/dbraw/zinc/54/23/76/462542376.db2.gz IOCBCLHHESZEMW-UHFFFAOYSA-N 0 0 342.399 2.276 50 30 EEEARN Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000000264322 462550737 /nfs/dbraw/zinc/55/07/37/462550737.db2.gz SWIRWGYAOLEXIU-LICLKQGHSA-N 0 0 332.381 2.378 50 30 EEEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc([N+](=O)[O-])cn1 ZINC000001067206 462576353 /nfs/dbraw/zinc/57/63/53/462576353.db2.gz CUJSRPCXMWBNJR-MRVPVSSYSA-N 0 0 331.357 2.413 50 30 EEEARN CCOC(=O)c1sc2ncn(/N=C/c3ccco3)c(=O)c2c1C ZINC000001454993 462582832 /nfs/dbraw/zinc/58/28/32/462582832.db2.gz AOPAMQFTKFMNNB-REZTVBANSA-N 0 0 331.353 2.418 50 30 EEEARN CCOC(=O)c1cnn(-c2nc3ccccc3n2C)c1/N=C/N(C)C ZINC000004033932 462626738 /nfs/dbraw/zinc/62/67/38/462626738.db2.gz HHEXCTRCWNSSMQ-WOJGMQOQSA-N 0 0 340.387 2.157 50 30 EEEARN Cc1ccc(S(=O)(=O)NC(N)=Nc2nc3ccccc3o2)cc1 ZINC000004826470 462638162 /nfs/dbraw/zinc/63/81/62/462638162.db2.gz PESGKBLFAZZMLS-UHFFFAOYSA-N 0 0 330.369 2.252 50 30 EEEARN CC(=NC(=S)Nc1nc(C)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000006382148 462683951 /nfs/dbraw/zinc/68/39/51/462683951.db2.gz BNHNPPMZGIANCR-CXUHLZMHSA-N 0 0 331.357 2.193 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cn(C)c2ccccc12 ZINC000006589972 462692190 /nfs/dbraw/zinc/69/21/90/462692190.db2.gz PSORKKDJNORQRR-GOSISDBHSA-N 0 0 327.384 2.390 50 30 EEEARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C#N)C1 ZINC000006743673 462701883 /nfs/dbraw/zinc/70/18/83/462701883.db2.gz RYOHNWYHVZYKQN-HNNXBMFYSA-N 0 0 349.456 2.339 50 30 EEEARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000006787484 462704824 /nfs/dbraw/zinc/70/48/24/462704824.db2.gz YHAPMHTWCVZUPV-LJQANCHMSA-N 0 0 349.346 2.254 50 30 EEEARN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl ZINC000007781115 462751009 /nfs/dbraw/zinc/75/10/09/462751009.db2.gz SOANJSORLPIWBO-UHFFFAOYSA-N 0 0 349.799 2.372 50 30 EEEARN Cc1ccc(C)c(OCC(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008573226 462789183 /nfs/dbraw/zinc/78/91/83/462789183.db2.gz VITAGBMUIQBFCE-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN N#Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 ZINC000011129912 462827449 /nfs/dbraw/zinc/82/74/49/462827449.db2.gz CMTAHRCXMMQCJQ-SOFGYWHQSA-N 0 0 348.406 2.119 50 30 EEEARN CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000011371539 462831197 /nfs/dbraw/zinc/83/11/97/462831197.db2.gz UAPWMAFWAXKUHY-BONVTDFDSA-N 0 0 338.433 2.093 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 ZINC000091364885 462875258 /nfs/dbraw/zinc/87/52/58/462875258.db2.gz DQNPRLXSEWYUIN-IBGZPJMESA-N 0 0 334.435 2.435 50 30 EEEARN CCn1ncc(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000013111698 462884405 /nfs/dbraw/zinc/88/44/05/462884405.db2.gz LGDGAMCAHXRCNG-NVNXTCNLSA-N 0 0 326.809 2.177 50 30 EEEARN COc1cc(C=NNC(=S)Nc2cccnc2)cc(OC)c1OC ZINC000013114058 462885358 /nfs/dbraw/zinc/88/53/58/462885358.db2.gz LASDRZGAEHBNKK-UHFFFAOYSA-N 0 0 346.412 2.428 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000025233725 463113879 /nfs/dbraw/zinc/11/38/79/463113879.db2.gz DUZWAGLDVGJJMK-UHFFFAOYSA-N 0 0 325.347 2.446 50 30 EEEARN Cc1nn(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(=O)c(C#N)c1C ZINC000029502389 463259724 /nfs/dbraw/zinc/25/97/24/463259724.db2.gz DLBFEIULFXGARL-ZDUSSCGKSA-N 0 0 342.374 2.091 50 30 EEEARN C/C(=N\NC(=N)S[C@H]1CC(=O)N(C)C1=O)c1ccc(Cl)cc1 ZINC000100512802 463373916 /nfs/dbraw/zinc/37/39/16/463373916.db2.gz MSFDZIPEHKGAJU-CPWFCVNUSA-N 0 0 338.820 2.079 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCc2nc(C(C)(C)C)no2)o1 ZINC000244872920 464464895 /nfs/dbraw/zinc/46/48/95/464464895.db2.gz WGXHTDMPCQAIJL-UHFFFAOYSA-N 0 0 331.372 2.013 50 30 EEEARN C=CCN1C(=O)COc2ccc(C(=O)Cn3nnc4ccccc43)cc21 ZINC000019951255 518835120 /nfs/dbraw/zinc/83/51/20/518835120.db2.gz DTVBLWYMJJIAAG-UHFFFAOYSA-N 0 0 348.362 2.226 50 30 EEEARN C=CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000023265213 518889553 /nfs/dbraw/zinc/88/95/53/518889553.db2.gz DZGRDLISQONYKR-UHFFFAOYSA-N 0 0 342.270 2.413 50 30 EEEARN C=CCNC(=O)CSc1nnnn1-c1cccc(C(F)(F)F)c1 ZINC000005016340 518899807 /nfs/dbraw/zinc/89/98/07/518899807.db2.gz HDWTYKBPQLHJJZ-UHFFFAOYSA-N 0 0 343.334 2.075 50 30 EEEARN COCc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000014186248 522970488 /nfs/dbraw/zinc/97/04/88/522970488.db2.gz PEUBAUDNYVVBHW-FZKQIMNGSA-N 0 0 332.400 2.433 50 30 EEEARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(C)CCC#N)cc2)n1 ZINC000006945272 524483411 /nfs/dbraw/zinc/48/34/11/524483411.db2.gz SFSSWVYFFZYCJI-UHFFFAOYSA-N 0 0 340.383 2.018 50 30 EEEARN COC(=O)[C@@H]1C([O-])=C(C=[NH+]CCc2ccccc2)C(=O)CC1(C)C ZINC000102408542 679777526 /nfs/dbraw/zinc/77/75/26/679777526.db2.gz OCLUNMZKXQGIFE-HECSCLNYSA-N 0 0 329.396 2.060 50 30 EEEARN Cc1cc(C[C@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)[nH]n1 ZINC000952980730 796128348 /nfs/dbraw/zinc/12/83/48/796128348.db2.gz YBNQZNLFWMRGEZ-ZDUSSCGKSA-N 0 0 325.412 2.202 50 30 EEEARN N#Cc1cc2n(n1)CCCN(Cc1cccc(Cn3cccn3)c1)C2 ZINC000826805569 800420733 /nfs/dbraw/zinc/42/07/33/800420733.db2.gz CUHXMIMQIDQEEG-UHFFFAOYSA-N 0 0 332.411 2.405 50 30 EEEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(N)s1)CCC2 ZINC000007535359 201722961 /nfs/dbraw/zinc/72/29/61/201722961.db2.gz MRXXLDFVIDDVCF-UHFFFAOYSA-N 0 0 337.455 2.273 50 30 EEEARN Cc1cc(C(=O)Cn2c(N)nc(C#N)c2C#N)c(C)n1-c1ccccc1 ZINC000012734215 201863333 /nfs/dbraw/zinc/86/33/33/201863333.db2.gz FXGNCSOZOHTHOU-UHFFFAOYSA-N 0 0 344.378 2.499 50 30 EEEARN COC(=O)c1cccc(S(=O)(=O)N(CCC#N)Cc2ccco2)c1 ZINC000012874779 201872969 /nfs/dbraw/zinc/87/29/69/201872969.db2.gz DPVLIPVEQNTGHV-UHFFFAOYSA-N 0 0 348.380 2.171 50 30 EEEARN O=C(/C=C/NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F ZINC000022877653 202094321 /nfs/dbraw/zinc/09/43/21/202094321.db2.gz OCBPERLPGGXJSS-GJBLVYBDSA-N 0 0 346.324 2.434 50 30 EEEARN Cc1nnc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000022923047 202095909 /nfs/dbraw/zinc/09/59/09/202095909.db2.gz IOUDHGLEVNTOBT-UHFFFAOYSA-N 0 0 349.435 2.391 50 30 EEEARN COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C#N)cc2)c1 ZINC000032912605 202241275 /nfs/dbraw/zinc/24/12/75/202241275.db2.gz AEUSKOSVFLNBEF-MRXNPFEDSA-N 0 0 341.367 2.431 50 30 EEEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000013582995 291211048 /nfs/dbraw/zinc/21/10/48/291211048.db2.gz NMKYUBDIARGHNB-XQQFMLRXSA-N 0 0 340.383 2.024 50 30 EEEARN Cn1c(Cl)cnc1CN1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000097200636 201382583 /nfs/dbraw/zinc/38/25/83/201382583.db2.gz XHDHWTIANBPZDF-ZDUSSCGKSA-N 0 0 330.823 2.274 50 30 EEEARN C=CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022935193 212337177 /nfs/dbraw/zinc/33/71/77/212337177.db2.gz ZJBPEAAASVLWFU-UHFFFAOYSA-N 0 0 327.350 2.448 50 30 EEEARN COc1ccc(CCN2CC(=O)C(c3ccccc3)=C2N)cc1OC ZINC000004856013 201623186 /nfs/dbraw/zinc/62/31/86/201623186.db2.gz ZEZZUFOWSVYHSN-UHFFFAOYSA-N 0 0 338.407 2.459 50 30 EEEARN C=CCn1cnc2c1c(=O)n(CC(C)C)c(=O)n2-c1ccccc1C ZINC000037558923 204284351 /nfs/dbraw/zinc/28/43/51/204284351.db2.gz QPRKTYGUVBWVNN-UHFFFAOYSA-N 0 0 338.411 2.499 50 30 EEEARN C=CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C ZINC000004070229 205678297 /nfs/dbraw/zinc/67/82/97/205678297.db2.gz KHZBWYUHQOZIDO-CQSZACIVSA-N 0 0 331.328 2.294 50 30 EEEARN C=CCN(CC=C)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000012098938 211291182 /nfs/dbraw/zinc/29/11/82/211291182.db2.gz SECVYRPFZIQUBS-IBGZPJMESA-N 0 0 344.386 2.043 50 30 EEEARN N#C[C@H]1CCCN(C(=O)c2cccc(C3=CCCS3(=O)=O)c2)C1 ZINC000299800480 258103662 /nfs/dbraw/zinc/10/36/62/258103662.db2.gz WWPIEWHDIFGRKQ-CYBMUJFWSA-N 0 0 330.409 2.222 50 30 EEEARN N#Cc1ccc(C(F)(F)F)c(NCCC(=O)N2CCOCC2)c1 ZINC000121136871 221766717 /nfs/dbraw/zinc/76/67/17/221766717.db2.gz ARYXFGFGFOBWFM-UHFFFAOYSA-N 0 0 327.306 2.238 50 30 EEEARN C=CCN1c2cc(NS(=O)(=O)CC)ccc2OCC(C)(C)C1=O ZINC000009171106 276898113 /nfs/dbraw/zinc/89/81/13/276898113.db2.gz NMFLHGFOJLKGRH-UHFFFAOYSA-N 0 0 338.429 2.386 50 30 EEEARN CC(=O)/C=C1\C(=S)Nc2ccccc2N=C1N1CCN(C)CC1 ZINC000065748290 276932697 /nfs/dbraw/zinc/93/26/97/276932697.db2.gz UZXKASHICBLMCC-QBFSEMIESA-N 0 0 328.441 2.232 50 30 in-vitro EEEARN CC(=O)N1C(=O)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005257564 276952891 /nfs/dbraw/zinc/95/28/91/276952891.db2.gz GFVQQFLKXYPIFT-HNNXBMFYSA-N 0 0 329.312 2.215 50 30 EEEARN CC(C)C(=O)C1=Cc2cccc([N+](=O)[O-])c2O[C@@H]1N1CCOCC1 ZINC000019626740 278668558 /nfs/dbraw/zinc/66/85/58/278668558.db2.gz PNCNOXNHJPZNTE-KRWDZBQOSA-N 0 0 332.356 2.254 50 30 EEEARN COc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1O ZINC000012347267 295252952 /nfs/dbraw/zinc/25/29/52/295252952.db2.gz HJAMWWBDUCNNFF-CYBMUJFWSA-N 0 0 327.340 2.394 50 30 EEEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2[C@H](O)CO ZINC000254738596 300875725 /nfs/dbraw/zinc/87/57/25/300875725.db2.gz DCMCEXCRUWBAFV-GDZCPINPSA-N 0 0 348.483 2.459 50 30 EEEARN CCN1CCN(c2oc(COc3ccc(F)cc3)nc2C#N)CC1 ZINC000000108389 462542092 /nfs/dbraw/zinc/54/20/92/462542092.db2.gz RETXGXVBOJOZFK-UHFFFAOYSA-N 0 0 330.363 2.406 50 30 EEEARN CN(CCC#N)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N ZINC000003283892 462615022 /nfs/dbraw/zinc/61/50/22/462615022.db2.gz YQSHRYDMBUPHCR-UHFFFAOYSA-N 0 0 330.171 2.104 50 30 EEEARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC#N)c1 ZINC000003564511 462623372 /nfs/dbraw/zinc/62/33/72/462623372.db2.gz HUSCODUMFDEMOC-UHFFFAOYSA-N 0 0 330.793 2.051 50 30 EEEARN Cc1ccc(-n2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)cc1C ZINC000005152679 462646635 /nfs/dbraw/zinc/64/66/35/462646635.db2.gz KMGKYDMQPCVWOS-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN C=CCOc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 ZINC000006262104 462680488 /nfs/dbraw/zinc/68/04/88/462680488.db2.gz SPHHOWLSFQWFJE-HOJAQTOUSA-N 0 0 344.455 2.405 50 30 biogenic EEEARN Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 ZINC000006348416 462682695 /nfs/dbraw/zinc/68/26/95/462682695.db2.gz QYYVZPARMZMDFA-UHFFFAOYSA-N 0 0 342.380 2.002 50 30 EEEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc2c(c1)OCCO2 ZINC000006700583 462698551 /nfs/dbraw/zinc/69/85/51/462698551.db2.gz WAWRWPYZYFSQOO-UHFFFAOYSA-N 0 0 348.362 2.051 50 30 EEEARN COc1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000007218584 462726171 /nfs/dbraw/zinc/72/61/71/462726171.db2.gz VEKXZCRCFYPYOV-UHFFFAOYSA-N 0 0 346.408 2.396 50 30 EEEARN Cc1nn(Cc2cc(Cl)cc3c2OCOC3)c(=O)c(C#N)c1C ZINC000007384560 462732922 /nfs/dbraw/zinc/73/29/22/462732922.db2.gz YMKOBAFZRYCGLB-UHFFFAOYSA-N 0 0 331.759 2.300 50 30 EEEARN Cc1ccc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c(Cl)c1 ZINC000007441465 462735969 /nfs/dbraw/zinc/73/59/69/462735969.db2.gz WQUJZRMNHJFEPT-UHFFFAOYSA-N 0 0 330.775 2.332 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCCOc1ccccc1 ZINC000007986957 462762059 /nfs/dbraw/zinc/76/20/59/462762059.db2.gz PEEMWQHXYGGDLU-SFHVURJKSA-N 0 0 332.400 2.443 50 30 EEEARN C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008267048 462776300 /nfs/dbraw/zinc/77/63/00/462776300.db2.gz YDSQFFSSTCGLIV-CQSZACIVSA-N 0 0 344.411 2.257 50 30 EEEARN COc1ccccc1C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 ZINC000009341865 462803055 /nfs/dbraw/zinc/80/30/55/462803055.db2.gz KOKOVSMCXJPBIB-UHFFFAOYSA-N 0 0 348.366 2.412 50 30 EEEARN CCOC(=O)c1cc(C#N)c(S[C@@H]2CCCCNC2=O)nc1C ZINC000010673301 462822114 /nfs/dbraw/zinc/82/21/14/462822114.db2.gz HZYLCWCWSNWIPI-CYBMUJFWSA-N 0 0 333.413 2.199 50 30 EEEARN CS(=O)(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2F)c1 ZINC000011387289 462831533 /nfs/dbraw/zinc/83/15/33/462831533.db2.gz HFDQZYVQTSVSMF-UHFFFAOYSA-N 0 0 348.355 2.426 50 30 EEEARN C=CCn1c(N2CCN(C)CC2)nc2sc3c(c2c1=O)CCCC3 ZINC000012321793 462850389 /nfs/dbraw/zinc/85/03/89/462850389.db2.gz IDXMKUIADXXABY-UHFFFAOYSA-N 0 0 344.484 2.275 50 30 EEEARN N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cn1 ZINC000091830434 462909098 /nfs/dbraw/zinc/90/90/98/462909098.db2.gz XOFWUFYOMMJNAK-QFBILLFUSA-N 0 0 347.422 2.085 50 30 EEEARN C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cs1 ZINC000014253105 462921491 /nfs/dbraw/zinc/92/14/91/462921491.db2.gz CTIOXRBXSIEBDN-VIFPVBQESA-N 0 0 336.373 2.221 50 30 EEEARN C=CCN1CCN(C(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)CC1 ZINC000067284598 462988395 /nfs/dbraw/zinc/98/83/95/462988395.db2.gz ZDONKYPQDBOJNR-UHFFFAOYSA-N 0 0 340.431 2.109 50 30 EEEARN CC/C(=N/NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1O ZINC000017070461 462994755 /nfs/dbraw/zinc/99/47/55/462994755.db2.gz JJQUNLKPWUEQTA-ICFOKQHNSA-N 0 0 334.397 2.493 50 30 EEEARN N#Cc1ccccc1C(=O)NCC[C@H]1CN(Cc2ccco2)CCO1 ZINC000067841968 463056443 /nfs/dbraw/zinc/05/64/43/463056443.db2.gz MBHYAIQLGCZYQP-KRWDZBQOSA-N 0 0 339.395 2.172 50 30 EEEARN C=CCc1ccccc1OC[C@H](O)CN1C(=O)CC2(CCCC2)C1=O ZINC000024101872 463079893 /nfs/dbraw/zinc/07/98/93/463079893.db2.gz GFEQCZUGHFQTBV-MRXNPFEDSA-N 0 0 343.423 2.474 50 30 EEEARN COc1ccc(OC)c2c1CN(C(=O)C#Cc1ccccc1)C[C@H]2O ZINC000121634729 463170474 /nfs/dbraw/zinc/17/04/74/463170474.db2.gz LOMCDWPPJVYWLB-MRXNPFEDSA-N 0 0 337.375 2.131 50 30 EEEARN COc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1OC ZINC000100562616 463373946 /nfs/dbraw/zinc/37/39/46/463373946.db2.gz QHYKMHZQTJPIAB-XSFVSMFZSA-N 0 0 326.400 2.255 50 30 EEEARN C=CCn1cnc2c1c(=O)n(C1CC1)c(=O)n2-c1ccc(F)cc1 ZINC000034693080 463428053 /nfs/dbraw/zinc/42/80/53/463428053.db2.gz CACVFNWKIWULEG-UHFFFAOYSA-N 0 0 326.331 2.009 50 30 EEEARN N#Cc1ccc(N2CCN(Cc3noc(C4CCCC4)n3)CC2)nc1 ZINC000244899655 464464930 /nfs/dbraw/zinc/46/49/30/464464930.db2.gz ZNKWITVXOOILOU-UHFFFAOYSA-N 0 0 338.415 2.316 50 30 EEEARN N#CC1(c2ccccc2)CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 ZINC000426479055 467142384 /nfs/dbraw/zinc/14/23/84/467142384.db2.gz USIKNEJUVRZGRG-OAHLLOKOSA-N 0 0 349.438 2.624 50 30 EEEARN C=CCOc1ccccc1NC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2=O ZINC000299788031 519073119 /nfs/dbraw/zinc/07/31/19/519073119.db2.gz VRHVOQAZDPSCCY-KGLIPLIRSA-N 0 0 329.400 2.336 50 30 EEEARN CCCc1nnc(NC(=O)N(C)Cc2noc(-c3ccccc3)n2)[nH]1 ZINC000023337328 521462921 /nfs/dbraw/zinc/46/29/21/521462921.db2.gz CBLQNEODQGXHGY-UHFFFAOYSA-N 0 0 341.375 2.485 50 30 EEEARN Cc1cc(C(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000013957034 524193793 /nfs/dbraw/zinc/19/37/93/524193793.db2.gz YANLTAMNSDDVBY-UHFFFAOYSA-N 0 0 344.283 2.289 50 30 EEEARN C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)c1cccs1)C1CC1 ZINC000005787712 525739471 /nfs/dbraw/zinc/73/94/71/525739471.db2.gz ZZRLUPCVJJBCNI-INIZCTEOSA-N 0 0 334.397 2.063 50 30 EEEARN COc1cccc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000005013780 525838018 /nfs/dbraw/zinc/83/80/18/525838018.db2.gz TZSKOCOMODZCED-UHFFFAOYSA-N 0 0 345.311 2.089 50 30 EEEARN CC(=O)c1cnc(NC2CCN(c3ncccc3C#N)CC2)nc1C ZINC001772707638 1179296778 /nfs/dbraw/zinc/29/67/78/1179296778.db2.gz XWXYXSFRBHPXKK-UHFFFAOYSA-N 0 0 336.399 2.335 50 30 EEEARN C=CCN1C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)NCC)c2)CC1=O ZINC000952961120 796076796 /nfs/dbraw/zinc/07/67/96/796076796.db2.gz LSTLJXLJORCHOP-NSHDSACASA-N 0 0 349.818 2.063 50 30 EEEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000004554875 210220461 /nfs/dbraw/zinc/22/04/61/210220461.db2.gz LMERFQUKCYCPHQ-GOSISDBHSA-N 0 0 325.389 2.497 50 30 EEEARN CC(C)C(=O)N1CCC(CNC=C2C(=O)CC(C)(C)CC2=O)CC1 ZINC000100570313 219101839 /nfs/dbraw/zinc/10/18/39/219101839.db2.gz PZWAEYPULJAMPZ-UHFFFAOYSA-N 0 0 334.460 2.313 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccccc2Cl)c(=O)c1C#N ZINC000004384497 210185245 /nfs/dbraw/zinc/18/52/45/210185245.db2.gz GRNNIRMXFCJNOH-UHFFFAOYSA-N 0 0 345.786 2.467 50 30 EEEARN COc1ccc(OC)c(S(=O)(=O)N=C(NCC(C)C)SC)c1 ZINC000004366719 210180518 /nfs/dbraw/zinc/18/05/18/210180518.db2.gz LLDQFTSYFLOHQN-UHFFFAOYSA-N 0 0 346.474 2.357 50 30 EEEARN CCOC(=O)C1=C(C(=O)C(C)C)[C@@H](c2cccs2)NC(=S)N1 ZINC000101776472 219163583 /nfs/dbraw/zinc/16/35/83/219163583.db2.gz WDESIWBTFMZPFK-LLVKDONJSA-N 0 0 338.454 2.309 50 30 EEEARN Cc1cc(C)n2nc(SCC(=O)Nc3sccc3C#N)nc2n1 ZINC000003466997 210048670 /nfs/dbraw/zinc/04/86/70/210048670.db2.gz BDBZMOZPJSHVGG-UHFFFAOYSA-N 0 0 344.425 2.405 50 30 EEEARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1 ZINC000003345437 210014989 /nfs/dbraw/zinc/01/49/89/210014989.db2.gz SJEAINZRCVVYIF-UHFFFAOYSA-N 0 0 336.395 2.376 50 30 EEEARN CCOC(=O)CNc1ncc(-c2cc(C(C)C)nc(N)c2C#N)cn1 ZINC000067878889 215239801 /nfs/dbraw/zinc/23/98/01/215239801.db2.gz VDUCEQGSBLLKKO-UHFFFAOYSA-N 0 0 340.387 2.091 50 30 EEEARN CC(=O)NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(O)c1 ZINC000103851966 219326484 /nfs/dbraw/zinc/32/64/84/219326484.db2.gz AUUYCBIJFKSTEL-UHFFFAOYSA-N 0 0 348.362 2.163 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C2CC2)s1 ZINC000023325030 212368600 /nfs/dbraw/zinc/36/86/00/212368600.db2.gz PCWZDVOYIBDFOF-UHFFFAOYSA-N 0 0 343.412 2.164 50 30 EEEARN C=C(C)CSc1nnc2ccc(S(=O)(=O)N(CC)CC)cn21 ZINC000022069398 212275365 /nfs/dbraw/zinc/27/53/65/212275365.db2.gz GHLAGEZJQVYVOP-UHFFFAOYSA-N 0 0 340.474 2.428 50 30 EEEARN N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 ZINC000020439775 212129318 /nfs/dbraw/zinc/12/93/18/212129318.db2.gz GQBPQIBYXRTVJF-IKGGRYGDSA-N 0 0 330.347 2.292 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1N1CCCC1=O ZINC000015361469 211818830 /nfs/dbraw/zinc/81/88/30/211818830.db2.gz JYBRWKSJIUVNLH-GOSISDBHSA-N 0 0 328.416 2.280 50 30 EEEARN Cc1noc(N)c1C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1 ZINC000012482755 211392050 /nfs/dbraw/zinc/39/20/50/211392050.db2.gz DBSZCIVCHLMQEF-UHFFFAOYSA-N 0 0 337.339 2.288 50 30 EEEARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1F ZINC000010810330 211190560 /nfs/dbraw/zinc/19/05/60/211190560.db2.gz UNFQFGUXQMYEQW-LLVKDONJSA-N 0 0 345.399 2.296 50 30 EEEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nccs2)CC1 ZINC000010269778 211158672 /nfs/dbraw/zinc/15/86/72/211158672.db2.gz PIBLEBBGLRYHGS-CYBMUJFWSA-N 0 0 342.424 2.131 50 30 EEEARN N#Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)cc1 ZINC000009691121 211114755 /nfs/dbraw/zinc/11/47/55/211114755.db2.gz RFIBOQXLIYSHBV-UHFFFAOYSA-N 0 0 347.371 2.004 50 30 EEEARN C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)NC1=S ZINC000005043984 210372746 /nfs/dbraw/zinc/37/27/46/210372746.db2.gz KCKSBOLCZRJRHH-QINSGFPZSA-N 0 0 341.436 2.100 50 30 EEEARN C/C(=N\NC(=N)S[C@@H]1CC(=O)N(C)C1=O)c1ccc(Cl)cc1 ZINC000005015763 210362102 /nfs/dbraw/zinc/36/21/02/210362102.db2.gz MSFDZIPEHKGAJU-SXGUVYOMSA-N 0 0 338.820 2.079 50 30 EEEARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C#N ZINC000004847018 210298653 /nfs/dbraw/zinc/29/86/53/210298653.db2.gz IMHTXEKVADQUGW-UHFFFAOYSA-N 0 0 327.296 2.493 50 30 EEEARN C=C(C)CN(CC)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009074587 258018040 /nfs/dbraw/zinc/01/80/40/258018040.db2.gz TXUGFADMKQUGTH-UHFFFAOYSA-N 0 0 348.424 2.312 50 30 EEEARN N#Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000029394206 269968259 /nfs/dbraw/zinc/96/82/59/269968259.db2.gz PWLKFNDOVGGBEY-UHFFFAOYSA-N 0 0 342.424 2.032 50 30 EEEARN CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1 ZINC000024703838 277245039 /nfs/dbraw/zinc/24/50/39/277245039.db2.gz MTTMWVLHPFHZCF-SFHVURJKSA-N 0 0 349.390 2.031 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)ccc1OC ZINC000004066590 277873069 /nfs/dbraw/zinc/87/30/69/277873069.db2.gz LNFDCCFVCFDXQE-HNNXBMFYSA-N 0 0 348.424 2.226 50 30 EEEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(C)CC2)c1C#N ZINC000029121020 280223695 /nfs/dbraw/zinc/22/36/95/280223695.db2.gz GKYAGPLWNDQRJA-UHFFFAOYSA-N 0 0 343.475 2.278 50 30 EEEARN CCOC(=O)c1cs/c(=N/N=C/c2ccc(OC)c(OC)c2)n1C ZINC000000352517 462555714 /nfs/dbraw/zinc/55/57/14/462555714.db2.gz MCULYHCMQKYZMP-APBNWAIRSA-N 0 0 349.412 2.215 50 30 EEEARN Oc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)c(O)c1 ZINC000001755955 462587033 /nfs/dbraw/zinc/58/70/33/462587033.db2.gz LEFKNTNPVQINPW-RQZCQDPDSA-N 0 0 342.380 2.439 50 30 EEEARN CCOc1ncccc1C(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000003271151 462615223 /nfs/dbraw/zinc/61/52/23/462615223.db2.gz KXCCLSZWRNQYRC-UHFFFAOYSA-N 0 0 325.324 2.147 50 30 EEEARN CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 ZINC000005377120 462657425 /nfs/dbraw/zinc/65/74/25/462657425.db2.gz TZHILZQQHPRLHL-UBQVSUSGSA-N 0 0 338.454 2.006 50 30 EEEARN N#CCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2 ZINC000005975901 462673368 /nfs/dbraw/zinc/67/33/68/462673368.db2.gz FWECHBRSTMTPDY-UHFFFAOYSA-N 0 0 347.440 2.342 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(N)n[nH]3)sc2C1 ZINC000006409621 462685411 /nfs/dbraw/zinc/68/54/11/462685411.db2.gz ZBEVYICBWGPXSJ-SSDOTTSWSA-N 0 0 348.457 2.176 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000006820830 462707041 /nfs/dbraw/zinc/70/70/41/462707041.db2.gz GZIAVHMQEZPYLG-UHFFFAOYSA-N 0 0 326.312 2.022 50 30 EEEARN C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCC1=CCCCC1 ZINC000007046103 462718813 /nfs/dbraw/zinc/71/88/13/462718813.db2.gz ASACDKGQWSAQLQ-NSHDSACASA-N 0 0 331.445 2.418 50 30 EEEARN CS(=O)(=O)N(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047613825 462805388 /nfs/dbraw/zinc/80/53/88/462805388.db2.gz PJQVMERMMATRIK-UHFFFAOYSA-N 0 0 325.393 2.392 50 30 EEEARN C[C@@H]1C[C@H](C)CN(C(=O)COCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000018179383 463007804 /nfs/dbraw/zinc/00/78/04/463007804.db2.gz QGSPEJVOEZIIFE-OKILXGFUSA-N 0 0 329.400 2.018 50 30 EEEARN N#Cc1cccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c1 ZINC000095508848 463098844 /nfs/dbraw/zinc/09/88/44/463098844.db2.gz OCLDVCOOLIVRPP-YLJYHZDGSA-N 0 0 334.375 2.169 50 30 EEEARN N#Cc1ncn(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000025002886 463106275 /nfs/dbraw/zinc/10/62/75/463106275.db2.gz NOJHEVRWIVYHBH-KRWDZBQOSA-N 0 0 331.379 2.250 50 30 EEEARN N#CCN(CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CC1 ZINC000100839780 463375194 /nfs/dbraw/zinc/37/51/94/463375194.db2.gz VEFYHNSLDOQELL-INIZCTEOSA-N 0 0 326.425 2.337 50 30 EEEARN COC(=O)c1n[nH]cc1-c1cc(-c2ccc(O)cc2C)nc(N)c1C#N ZINC000071775700 463424629 /nfs/dbraw/zinc/42/46/29/463424629.db2.gz LUKCLVNAWAONCD-UHFFFAOYSA-N 0 0 349.350 2.393 50 30 EEEARN Cc1cccc(S(=O)(=O)N2CCC(c3ncco3)CC2)c1C#N ZINC000585134980 468986250 /nfs/dbraw/zinc/98/62/50/468986250.db2.gz RNJKSJHAOFJPKD-UHFFFAOYSA-N 0 0 331.397 2.423 50 30 EEEARN COc1ccc(C(=N)NOC(=O)Cc2ccc(C)cc2)cc1OC ZINC000004986024 523366920 /nfs/dbraw/zinc/36/69/20/523366920.db2.gz SHKBBBXOYIZASD-UHFFFAOYSA-N 0 0 328.368 2.418 50 30 EEEARN COc1ccc(CN2CCN(C[C@@H](C#N)CCC#N)CC2)cc1F ZINC000025232579 524031566 /nfs/dbraw/zinc/03/15/66/524031566.db2.gz GUWPNLYTSVABPA-MRXNPFEDSA-N 0 0 330.407 2.395 50 30 EEEARN COc1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2)cc1OC ZINC000015365498 524607587 /nfs/dbraw/zinc/60/75/87/524607587.db2.gz SDTVNSWHCNGJLF-LBPRGKRZSA-N 0 0 343.383 2.368 50 30 EEEARN C=CCNC(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC(C)C ZINC000002792706 526578113 /nfs/dbraw/zinc/57/81/13/526578113.db2.gz SYVRITOVOLBQSC-UHFFFAOYSA-N 0 0 348.476 2.037 50 30 EEEARN CCN(CCOc1cccc(C)c1)C(=O)Cc1nc(NC(C)=O)n[nH]1 ZINC000065381693 528574525 /nfs/dbraw/zinc/57/45/25/528574525.db2.gz GMIZHNNRBLXQNW-UHFFFAOYSA-N 0 0 345.403 2.191 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nncn1-c1ccccc1 ZINC000003452707 528852504 /nfs/dbraw/zinc/85/25/04/528852504.db2.gz WYGOVLCUIXWCFI-MRXNPFEDSA-N 0 0 329.429 2.414 50 30 EEEARN C=C1CC[C@H]2[C@@H](C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@H]3[C@H]1O)C2(C)C ZINC001772820044 1277890189 /nfs/dbraw/zinc/89/01/89/1277890189.db2.gz SDBITTRHSROXCY-FRGGAXHXSA-N 0 0 334.456 2.233 50 30 EEEARN Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000952980088 796127975 /nfs/dbraw/zinc/12/79/75/796127975.db2.gz XPNGSRRPGLZRJW-UHFFFAOYSA-N 0 0 329.400 2.105 50 30 EEEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000100421591 219099452 /nfs/dbraw/zinc/09/94/52/219099452.db2.gz JPBQVXRJKPBQTD-ZDUSSCGKSA-N 0 0 344.386 2.221 50 30 EEEARN Cc1ncc2c(c1C#N)CCN(C(=O)c1cc(CC(C)C)nn1C)C2 ZINC000065493842 214933027 /nfs/dbraw/zinc/93/30/27/214933027.db2.gz INDMMQJHUGLLHM-UHFFFAOYSA-N 0 0 337.427 2.392 50 30 EEEARN C=CCSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004139180 210130280 /nfs/dbraw/zinc/13/02/80/210130280.db2.gz VUSMEHDBSMALOP-UHFFFAOYSA-N 0 0 346.437 2.034 50 30 EEEARN C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003343250 210013779 /nfs/dbraw/zinc/01/37/79/210013779.db2.gz FCHDATKDMWJJJB-ZDUSSCGKSA-N 0 0 336.413 2.320 50 30 EEEARN C[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003343251 210013307 /nfs/dbraw/zinc/01/33/07/210013307.db2.gz FCHDATKDMWJJJB-CYBMUJFWSA-N 0 0 336.413 2.320 50 30 EEEARN C=CCOc1ccc(C=C2NC(C)=C(C(=O)OC)C2=O)cc1OC ZINC000033409410 212935125 /nfs/dbraw/zinc/93/51/25/212935125.db2.gz JGWVDYRVCVFDNB-LCYFTJDESA-N 0 0 329.352 2.220 50 30 EEEARN CN(C)C(=O)c1cccc(NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000023902397 212399203 /nfs/dbraw/zinc/39/92/03/212399203.db2.gz GLNDUQMECYZMDS-UHFFFAOYSA-N 0 0 328.416 2.143 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022408668 212295477 /nfs/dbraw/zinc/29/54/77/212295477.db2.gz JZBIJOOBNUNTHL-UHFFFAOYSA-N 0 0 341.436 2.065 50 30 EEEARN COc1ccccc1CCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000218446001 241322536 /nfs/dbraw/zinc/32/25/36/241322536.db2.gz DXJHZEMWEVLKCY-UHFFFAOYSA-N 0 0 348.406 2.326 50 30 EEEARN COc1cccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2=O)c1 ZINC000082160549 217481343 /nfs/dbraw/zinc/48/13/43/217481343.db2.gz ZGFOVDXRMUQBOR-UHFFFAOYSA-N 0 0 335.363 2.056 50 30 EEEARN COc1cc(-c2nc(C)c(C(=O)NCC#N)s2)cc(OC)c1OC ZINC000012390303 211366889 /nfs/dbraw/zinc/36/68/89/211366889.db2.gz PKIDUNQOJSWIPE-UHFFFAOYSA-N 0 0 347.396 2.398 50 30 EEEARN COc1nccc(N2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)c1C#N ZINC000095383113 218315678 /nfs/dbraw/zinc/31/56/78/218315678.db2.gz QGGHZJXJWVYRAC-LSDHHAIUSA-N 0 0 340.427 2.355 50 30 EEEARN C=CCNc1nc(-c2ccc(CCNS(C)(=O)=O)cc2)cs1 ZINC000008734126 210995107 /nfs/dbraw/zinc/99/51/07/210995107.db2.gz PQQORLJMWNPWGO-UHFFFAOYSA-N 0 0 337.470 2.500 50 30 EEEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1cccc[n+]1[O-] ZINC000005780104 210534508 /nfs/dbraw/zinc/53/45/08/210534508.db2.gz OGXHMDLKKVAMJK-UHFFFAOYSA-N 0 0 335.410 2.304 50 30 EEEARN CN(C)c1ccc(/C=N/N=C2\C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000004818973 210286441 /nfs/dbraw/zinc/28/64/41/210286441.db2.gz NLINEPYEEPLPQT-VCHYOVAHSA-N 0 0 337.339 2.436 50 30 EEEARN COc1cc(C=NNc2nc3ccccc3n3cnnc23)ccc1O ZINC000004793770 210278127 /nfs/dbraw/zinc/27/81/27/210278127.db2.gz FFNZTSJHQQBFLS-GIJQJNRQSA-N 0 0 334.339 2.438 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N(C)C[C@@H](C)N1CCOCC1 ZINC000055054403 258014989 /nfs/dbraw/zinc/01/49/89/258014989.db2.gz LMELDZHWTFNCOI-MRXNPFEDSA-N 0 0 332.444 2.434 50 30 EEEARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@]3(O)[C@H]1CC[C@@H]2C(=O)CO ZINC000257346370 258073641 /nfs/dbraw/zinc/07/36/41/258073641.db2.gz YWRPKJIIPJSLLJ-BAIJGVNGSA-N 0 0 332.440 2.421 50 30 EEEARN CN(C)/C=N/c1nc2ncc(-c3cccs3)c(/N=C/N(C)C)n2n1 ZINC000004041453 273786779 /nfs/dbraw/zinc/78/67/79/273786779.db2.gz VRTLYLAXPDFCQZ-BEQMOXJMSA-N 0 0 342.432 2.296 50 30 EEEARN C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000008059709 276893777 /nfs/dbraw/zinc/89/37/77/276893777.db2.gz ACICRKOLNTYEII-HUUCEWRRSA-N 0 0 336.482 2.062 50 30 EEEARN CC(=O)ON1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000047416 278220241 /nfs/dbraw/zinc/22/02/41/278220241.db2.gz RDEPFWDLDPALOY-OWCVQMPJSA-N 0 0 333.343 2.357 50 30 EEEARN Cc1ccsc1-c1c2c(N)c(C(N)=O)sc2nc(N)c1C#N ZINC000019299370 281502220 /nfs/dbraw/zinc/50/22/20/281502220.db2.gz ICHPHAFPQURPMA-UHFFFAOYSA-N 0 0 329.410 2.468 50 30 EEEARN O=C(CSC(F)(F)C(F)(F)C(F)(F)F)N1CCOCC1 ZINC000001792937 295528467 /nfs/dbraw/zinc/52/84/67/295528467.db2.gz VHMKXQSHZBKFTC-UHFFFAOYSA-N 0 0 329.237 2.369 50 30 EEEARN O=S1(=O)C[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000334157994 465041016 /nfs/dbraw/zinc/04/10/16/465041016.db2.gz GZZFBDQOIJHXCT-NXEZZACHSA-P 0 0 337.368 2.123 50 30 EEEARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)c(C#N)ccc12 ZINC000000155514 462544486 /nfs/dbraw/zinc/54/44/86/462544486.db2.gz KHHPCRRFAXTUGV-UHFFFAOYSA-N 0 0 334.335 2.016 50 30 EEEARN CCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(C)o1 ZINC000044973924 462548778 /nfs/dbraw/zinc/54/87/78/462548778.db2.gz GKQJELHJNVWYCA-CQSZACIVSA-N 0 0 341.367 2.022 50 30 EEEARN Cn1ncc(C#N)c1NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000001126215 462577667 /nfs/dbraw/zinc/57/76/67/462577667.db2.gz DFBJMPDGAASCPO-GFCCVEGCSA-N 0 0 347.737 2.216 50 30 EEEARN Cc1cc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)ccc1F ZINC000002685096 462599012 /nfs/dbraw/zinc/59/90/12/462599012.db2.gz JLBSSWRLMYEVNP-UHFFFAOYSA-N 0 0 335.312 2.051 50 30 EEEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(Br)cc1 ZINC000003129878 462611092 /nfs/dbraw/zinc/61/10/92/462611092.db2.gz QIFQFKVXKOWWTL-UHFFFAOYSA-N 0 0 342.218 2.267 50 30 EEEARN N#Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccncc2)n1 ZINC000007001906 462716692 /nfs/dbraw/zinc/71/66/92/462716692.db2.gz BEBHSIAVHZOGLX-UHFFFAOYSA-N 0 0 336.380 2.469 50 30 EEEARN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000008225311 462774384 /nfs/dbraw/zinc/77/43/84/462774384.db2.gz QRZPJBVSWAGDER-GFCCVEGCSA-N 0 0 344.392 2.369 50 30 EEEARN CCCc1nc(CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1 ZINC000065512175 462784932 /nfs/dbraw/zinc/78/49/32/462784932.db2.gz PJHITGZJUGQDPR-AWEZNQCLSA-N 0 0 326.404 2.223 50 30 EEEARN COc1ccc(OC[C@@H](O)COc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000008734637 462793101 /nfs/dbraw/zinc/79/31/01/462793101.db2.gz MCSZJFUMOMCLJP-ZDUSSCGKSA-N 0 0 344.323 2.294 50 30 EEEARN N#Cc1ccc(OCC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000012762629 462867493 /nfs/dbraw/zinc/86/74/93/462867493.db2.gz MWDJSDYVVVLULE-UHFFFAOYSA-N 0 0 346.390 2.498 50 30 EEEARN Cc1nn(CC(=O)N[C@H](c2ccccc2)C(C)C)c(=O)c(C#N)c1C ZINC000012911131 462875515 /nfs/dbraw/zinc/87/55/15/462875515.db2.gz KVNHRMSVERDXNX-SFHVURJKSA-N 0 0 338.411 2.245 50 30 EEEARN N#Cc1ncn(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000014144253 462914778 /nfs/dbraw/zinc/91/47/78/462914778.db2.gz NTIKFWJGPGIAJQ-INIZCTEOSA-N 0 0 341.371 2.256 50 30 EEEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1Cc1ccc2c(c1)OCO2 ZINC000016757351 462989850 /nfs/dbraw/zinc/98/98/50/462989850.db2.gz SAKQRCRPSRIDPO-UHFFFAOYSA-N 0 0 348.362 2.004 50 30 EEEARN O=C1CCCC2=Nc3nnnn3[C@H](c3cccc(Br)c3)C12 ZINC000018195993 463009769 /nfs/dbraw/zinc/00/97/69/463009769.db2.gz CKVDUPFQWSLZQV-CYBMUJFWSA-N 0 0 346.188 2.458 50 30 EEEARN CC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2C#N)c([N+](=O)[O-])c1 ZINC000029165071 463245343 /nfs/dbraw/zinc/24/53/43/463245343.db2.gz PWJKXNNXIBHMTI-UHFFFAOYSA-N 0 0 342.359 2.043 50 30 EEEARN CCC(C)(C)NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C ZINC000029368049 463255265 /nfs/dbraw/zinc/25/52/65/463255265.db2.gz ATNLJQZHICNCIH-ZSOIEALJSA-N 0 0 326.462 2.323 50 30 EEEARN N#Cc1c(F)cccc1N1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000029860455 463275765 /nfs/dbraw/zinc/27/57/65/463275765.db2.gz KRXXMZGYPGIEMN-UHFFFAOYSA-N 0 0 327.363 2.280 50 30 EEEARN C/N=C1\S/C(=C\c2ccc(I)o2)C(=O)N1C ZINC000100272045 463373291 /nfs/dbraw/zinc/37/32/91/463373291.db2.gz SBQVANKQMFIJJP-PSVOIDRLSA-N 0 0 348.165 2.416 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000103502588 463403569 /nfs/dbraw/zinc/40/35/69/463403569.db2.gz MIWZZPKQMXGLNF-HZRUHFOJSA-N 0 0 328.368 2.048 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(COC(=O)C2(C#N)CCCC2)c1 ZINC000024829973 521996333 /nfs/dbraw/zinc/99/63/33/521996333.db2.gz KBOWYRWGBQYRFM-UHFFFAOYSA-N 0 0 336.413 2.064 50 30 EEEARN COCCCNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008682755 522995807 /nfs/dbraw/zinc/99/58/07/522995807.db2.gz APLGOPMDXTVZMI-UHFFFAOYSA-N 0 0 338.433 2.039 50 30 EEEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCN2)cc1)c1cccs1 ZINC000012884414 527253077 /nfs/dbraw/zinc/25/30/77/527253077.db2.gz FOLHRNDOTLNUEA-UHFFFAOYSA-N 0 0 349.437 2.471 50 30 EEEARN CO[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2C)C[C@H]1Cc1cc(C)no1 ZINC001529114962 1121324339 /nfs/dbraw/zinc/32/43/39/1121324339.db2.gz UZSZDKALAMQZMD-QAPCUYQASA-N 0 0 328.416 2.191 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)cc1 ZINC000004716170 210258162 /nfs/dbraw/zinc/25/81/62/210258162.db2.gz FKKXTMXLKGDDSG-OAHLLOKOSA-N 0 0 326.356 2.305 50 30 EEEARN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000004570842 210222867 /nfs/dbraw/zinc/22/28/67/210222867.db2.gz SUXSWKCWZYDIHZ-KRWDZBQOSA-N 0 0 338.363 2.381 50 30 EEEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])cc1OC ZINC000004047964 210107482 /nfs/dbraw/zinc/10/74/82/210107482.db2.gz BSLDOBOICAXWDF-FRKPEAEDSA-N 0 0 347.287 2.361 50 30 EEEARN COc1cc(C=Nn2cn[nH]c2=S)cc(Br)c1O ZINC000004056297 210108983 /nfs/dbraw/zinc/10/89/83/210108983.db2.gz MOXJTJWMELWCKT-YIXHJXPBSA-N 0 0 329.179 2.300 50 30 EEEARN C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004005740 210098889 /nfs/dbraw/zinc/09/88/89/210098889.db2.gz JLQPQZNXOIIXPL-CHWSQXEVSA-N 0 0 329.356 2.418 50 30 EEEARN CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@@H](O)C3 ZINC000003644236 210069792 /nfs/dbraw/zinc/06/97/92/210069792.db2.gz JDTZAGLGBRRCJT-SNVBAGLBSA-N 0 0 330.409 2.217 50 30 in-vitro EEEARN Cc1ccc(CNC(=O)COC(=O)COc2ccc(C#N)cc2)cc1 ZINC000003317969 210005963 /nfs/dbraw/zinc/00/59/63/210005963.db2.gz KQSKAXYAPXHSLV-UHFFFAOYSA-N 0 0 338.363 2.105 50 30 EEEARN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000685940182 539988964 /nfs/dbraw/zinc/98/89/64/539988964.db2.gz MWDRQTKHZSTBQK-MRXNPFEDSA-N 0 0 338.415 2.105 50 30 EEEARN COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cccc(F)c1 ZINC000000979578 209696734 /nfs/dbraw/zinc/69/67/34/209696734.db2.gz RSHNEYBTHIOKJQ-DJKKODMXSA-N 0 0 347.371 2.221 50 30 EEEARN CS(=O)(=O)Cc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC000036744341 213116542 /nfs/dbraw/zinc/11/65/42/213116542.db2.gz OQDBKVXKCFPGGZ-UHFFFAOYSA-N 0 0 348.306 2.004 50 30 EEEARN N#CC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCOCC1 ZINC000109138476 237129375 /nfs/dbraw/zinc/12/93/75/237129375.db2.gz KDELYNKJURULFH-UHFFFAOYSA-N 0 0 347.846 2.305 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000072473792 216251266 /nfs/dbraw/zinc/25/12/66/216251266.db2.gz VYPVKYZPLFKYGN-GOSISDBHSA-N 0 0 340.402 2.166 50 30 EEEARN NC(=NOCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000023714046 212391443 /nfs/dbraw/zinc/39/14/43/212391443.db2.gz VXNPVKFZSJHFSQ-UHFFFAOYSA-N 0 0 341.367 2.124 50 30 EEEARN Cc1ccc(NC(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)cc1 ZINC000023617054 212384599 /nfs/dbraw/zinc/38/45/99/212384599.db2.gz XZPDLDZJTLMFNI-UHFFFAOYSA-N 0 0 343.408 2.271 50 30 EEEARN Cc1noc(C)c1-c1n[nH]c2c1CN(C(=O)c1ccc(C#N)nc1)CC2 ZINC000023337892 212369023 /nfs/dbraw/zinc/36/90/23/212369023.db2.gz FWINTVAVQVMEEP-UHFFFAOYSA-N 0 0 348.366 2.147 50 30 EEEARN Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000244715797 243064567 /nfs/dbraw/zinc/06/45/67/243064567.db2.gz LCLHAORVHBRWDG-MAEOIBBWSA-N 0 0 349.438 2.222 50 30 EEEARN CCn1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)c(C)n1 ZINC000020607157 212154018 /nfs/dbraw/zinc/15/40/18/212154018.db2.gz SWERJGBBUJBWAW-OAHLLOKOSA-N 0 0 326.404 2.461 50 30 EEEARN CN(/N=C/c1ccccc1)C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000020074842 212099750 /nfs/dbraw/zinc/09/97/50/212099750.db2.gz WJRWFOKNFITMKU-MHWRWJLKSA-N 0 0 344.352 2.010 50 30 EEEARN C=CCNC(=S)Nn1c(=O)c2ccccc2nc1-c1ccco1 ZINC000019897564 212080504 /nfs/dbraw/zinc/08/05/04/212080504.db2.gz JQUNPSWDPBPYNH-UHFFFAOYSA-N 0 0 326.381 2.261 50 30 EEEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(N(C)C)nc1 ZINC000071767924 291479936 /nfs/dbraw/zinc/47/99/36/291479936.db2.gz XISZMFYRPSBLIX-UHFFFAOYSA-N 0 0 333.399 2.372 50 30 EEEARN COc1cc(C#N)c(/N=C(/SCC#N)N2CCOCC2)cc1OC ZINC000013142608 211530084 /nfs/dbraw/zinc/53/00/84/211530084.db2.gz GTAPIZIIQFEHKJ-KNTRCKAVSA-N 0 0 346.412 2.152 50 30 EEEARN N#Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000091894092 218084343 /nfs/dbraw/zinc/08/43/43/218084343.db2.gz JFTOJYJZAULETB-FQEVSTJZSA-N 0 0 337.423 2.423 50 30 EEEARN C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](CCSC)C2=O)c1C ZINC000006593936 258044749 /nfs/dbraw/zinc/04/47/49/258044749.db2.gz BYNUNBPBPZNTHF-AWEZNQCLSA-N 0 0 349.456 2.147 50 30 EEEARN CC(C)c1ccc(C#N)c(-c2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 ZINC000534581092 270022915 /nfs/dbraw/zinc/02/29/15/270022915.db2.gz CZVFSFKWMMIRKO-UHFFFAOYSA-N 0 0 348.406 2.316 50 30 EEEARN CC#CC(=O)N1CCC[C@@](Cc2cccc(OC)c2)(C(=O)OCC)C1 ZINC000012226823 277922916 /nfs/dbraw/zinc/92/29/16/277922916.db2.gz OKCIOFKIONUZKR-FQEVSTJZSA-N 0 0 343.423 2.433 50 30 EEEARN Cc1ccc2[nH]c3c([nH]c(=O)n(N=Cc4ccc(O)cc4)c3=O)c2c1 ZINC000009171791 281026725 /nfs/dbraw/zinc/02/67/25/281026725.db2.gz VEHRFXYDVKQKMY-DJKKODMXSA-N 0 0 334.335 2.067 50 30 EEEARN COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)ccc1O ZINC000012349113 295020501 /nfs/dbraw/zinc/02/05/01/295020501.db2.gz KXQMUFZHQQNREE-OAHLLOKOSA-N 0 0 341.371 2.045 50 30 EEEARN CCCCOc1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000334158296 465040487 /nfs/dbraw/zinc/04/04/87/465040487.db2.gz FGOUQTNSDCTYOG-KGLIPLIRSA-P 0 0 341.478 2.283 50 30 EEEARN O=C(Nc1nnnn1/N=C/c1ccccc1F)c1ccc(F)cc1 ZINC000000305846 462553904 /nfs/dbraw/zinc/55/39/04/462553904.db2.gz SJVSQBMXJHKCMF-GIJQJNRQSA-N 0 0 328.282 2.086 50 30 EEEARN COc1cc(/C=N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC ZINC000000342870 462555904 /nfs/dbraw/zinc/55/59/04/462555904.db2.gz KYMXOODIJONWEO-VXLYETTFSA-N 0 0 339.351 2.488 50 30 EEEARN COCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002308021 462591049 /nfs/dbraw/zinc/59/10/49/462591049.db2.gz BTTMQMZUPJINCY-ZDUSSCGKSA-N 0 0 340.383 2.027 50 30 EEEARN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/n3cnnc3)c2)cc1 ZINC000002971189 462608728 /nfs/dbraw/zinc/60/87/28/462608728.db2.gz YGXFSCZTXZEAOM-VXLYETTFSA-N 0 0 342.380 2.236 50 30 EEEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000004263347 462630809 /nfs/dbraw/zinc/63/08/09/462630809.db2.gz ZTMKPNCPEMFGJR-GFCCVEGCSA-N 0 0 343.770 2.281 50 30 EEEARN Cc1ccc(-n2c3nc4c(C)cccn4c(=O)c3cc(C#N)c2=O)cc1 ZINC000005152711 462646499 /nfs/dbraw/zinc/64/64/99/462646499.db2.gz FKLCSZODYQCFMJ-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN Fc1cccc(C=NN2C(=S)NNC2=C2N=NC3=C2CCC3)c1 ZINC000005626229 462664986 /nfs/dbraw/zinc/66/49/86/462664986.db2.gz PNJCBSBNZUBJCE-CAOOACKPSA-N 0 0 328.376 2.467 50 30 EEEARN COc1ccc(CN=Nc2nnc3c(n2)C(=O)c2ccccc2-3)cc1O ZINC000005661789 462666677 /nfs/dbraw/zinc/66/66/77/462666677.db2.gz WPUQUNMCDNEABA-DJKKODMXSA-N 0 0 347.334 2.243 50 30 EEEARN C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(O)c1 ZINC000006767622 462704951 /nfs/dbraw/zinc/70/49/51/462704951.db2.gz DKNYILQOYCRHTJ-LBPRGKRZSA-N 0 0 343.408 2.238 50 30 EEEARN N#Cc1ccccc1COC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000006884557 462710288 /nfs/dbraw/zinc/71/02/88/462710288.db2.gz HXOZNWQFDYLNSQ-UHFFFAOYSA-N 0 0 334.331 2.288 50 30 EEEARN Cc1sc2ncn(CC(=O)N[C@](C)(C#N)C(C)C)c(=O)c2c1C ZINC000007382850 462732223 /nfs/dbraw/zinc/73/22/23/462732223.db2.gz CXEHALCDFYPNJL-MRXNPFEDSA-N 0 0 332.429 2.129 50 30 EEEARN CCOc1ncccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000011480355 462832890 /nfs/dbraw/zinc/83/28/90/462832890.db2.gz GAOMEPUWPIQOBL-ZDUSSCGKSA-N 0 0 345.399 2.368 50 30 EEEARN COc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(C)o2)c(OC)c1 ZINC000017070980 462994974 /nfs/dbraw/zinc/99/49/74/462994974.db2.gz ZJVLWCFIJQXZPX-WJDWOHSUSA-N 0 0 338.385 2.308 50 30 EEEARN CC(C)c1nnc(NC(=O)COc2cccc(-n3cnnc3)c2)[nH]1 ZINC000095478398 463092996 /nfs/dbraw/zinc/09/29/96/463092996.db2.gz ZXVWZWHZCKCPAK-UHFFFAOYSA-N 0 0 327.348 2.176 50 30 EEEARN COc1cccc(-c2nc(C#N)c(NC[C@H](C)N3CCOCC3)o2)c1 ZINC000096346078 463235043 /nfs/dbraw/zinc/23/50/43/463235043.db2.gz IJMDZKFVKLEEHG-ZDUSSCGKSA-N 0 0 342.399 2.354 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCc1ccccn1 ZINC000029162701 463245215 /nfs/dbraw/zinc/24/52/15/463245215.db2.gz AZWJGYKUPLDVPW-CQSZACIVSA-N 0 0 347.378 2.460 50 30 EEEARN C=C(C)COc1ccc(NC(=O)NCc2nc(COC)no2)cc1 ZINC000299782659 465885525 /nfs/dbraw/zinc/88/55/25/465885525.db2.gz SXXRNQOLFTZJRR-UHFFFAOYSA-N 0 0 332.360 2.493 50 30 EEEARN CCOC(=O)CSc1nnc(NC(=O)CN2CCCCC2)s1 ZINC000020445134 520813118 /nfs/dbraw/zinc/81/31/18/520813118.db2.gz OSPVRYKVBDDQQO-UHFFFAOYSA-N 0 0 344.462 2.267 50 30 EEEARN CCOc1ccc(C(=O)ONC(=N)c2cccnc2)cc1OCC ZINC000005013696 520920763 /nfs/dbraw/zinc/92/07/63/520920763.db2.gz VLPZKMOJGLFANM-UHFFFAOYSA-N 0 0 329.356 2.356 50 30 EEEARN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(O)c1 ZINC000022123520 523772030 /nfs/dbraw/zinc/77/20/30/523772030.db2.gz FTBXUMDEZMVEEK-GTNSWQLSSA-N 0 0 334.372 2.001 50 30 EEEARN Cn1nccc1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000102112913 1197777882 /nfs/dbraw/zinc/77/78/82/1197777882.db2.gz FPUWLEXJIHSMTG-GZTJUZNOSA-N 0 0 339.395 2.458 50 30 EEEARN C=CCOc1ccc(C(=O)NCCc2nnc(N)s2)cc1OCC ZINC000055100114 214273814 /nfs/dbraw/zinc/27/38/14/214273814.db2.gz RCSAPIQTEHXIEM-UHFFFAOYSA-N 0 0 348.428 2.056 50 30 EEEARN O=C(c1ccccc1)N1CCN(Cc2ccc(C#CCO)s2)CC1 ZINC000055211921 214290156 /nfs/dbraw/zinc/29/01/56/214290156.db2.gz VZUTXBBHUKALFW-UHFFFAOYSA-N 0 0 340.448 2.050 50 30 EEEARN C=CCN(C(=O)c1ccc(OCC(=C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000055405055 214319986 /nfs/dbraw/zinc/31/99/86/214319986.db2.gz VLMIOBLKRDNEIY-INIZCTEOSA-N 0 0 349.452 2.457 50 30 EEEARN CCN1C(=O)[C@H](C)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 ZINC000101483261 219129358 /nfs/dbraw/zinc/12/93/58/219129358.db2.gz FDOYTASPLREELF-VPDTZXFGSA-N 0 0 338.863 2.430 50 30 EEEARN COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc1OC ZINC000004030588 210105023 /nfs/dbraw/zinc/10/50/23/210105023.db2.gz DEIVOVDTTBFALI-HNNXBMFYSA-N 0 0 336.413 2.094 50 30 EEEARN N#CCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003572667 210056985 /nfs/dbraw/zinc/05/69/85/210056985.db2.gz ZQTMHOYQBYRAHN-UHFFFAOYSA-N 0 0 342.804 2.195 50 30 EEEARN N#Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1Cl ZINC000003441742 210040708 /nfs/dbraw/zinc/04/07/08/210040708.db2.gz GZBDGXJTWWJVAH-UHFFFAOYSA-N 0 0 348.819 2.125 50 30 EEEARN CC[C@H](c1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o1)N(C)C ZINC000003332124 210009709 /nfs/dbraw/zinc/00/97/09/210009709.db2.gz DMDJTTAZDUTRCJ-ABAIWWIYSA-N 0 0 339.465 2.229 50 30 EEEARN O=C(OCc1ccccc1Br)ON1C(=O)CCC1=O ZINC000000156070 209458150 /nfs/dbraw/zinc/45/81/50/209458150.db2.gz SZDNRTVADOCWKU-UHFFFAOYSA-N 0 0 328.118 2.166 50 30 EEEARN C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C ZINC000000112603 209429217 /nfs/dbraw/zinc/42/92/17/209429217.db2.gz HRBGWBHQCYXSMT-LCYFTJDESA-N 0 0 329.352 2.259 50 30 EEEARN COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000067209 209398548 /nfs/dbraw/zinc/39/85/48/209398548.db2.gz SIKIJTRPERTCRJ-INIZCTEOSA-N 0 0 346.383 2.416 50 30 EEEARN CCCN1C[C@H](NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC1=O ZINC000426690259 241326899 /nfs/dbraw/zinc/32/68/99/241326899.db2.gz HTJRVHFTPNBVSG-GOSISDBHSA-N 0 0 348.406 2.361 50 30 EEEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C)CC3)sc2C1 ZINC000020661375 212160025 /nfs/dbraw/zinc/16/00/25/212160025.db2.gz OVWIQUBUVDERMW-ZDUSSCGKSA-N 0 0 346.500 2.321 50 30 EEEARN C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1sccc1C#N ZINC000014676300 211751713 /nfs/dbraw/zinc/75/17/13/211751713.db2.gz LBEQOXVFRIQWKW-QMMMGPOBSA-N 0 0 336.446 2.481 50 30 EEEARN N#Cc1c2c(sc1NC(=O)CCn1cnc([N+](=O)[O-])c1)CCC2 ZINC000012779423 211453235 /nfs/dbraw/zinc/45/32/35/211453235.db2.gz AGWXGJLRYALTBI-UHFFFAOYSA-N 0 0 331.357 2.242 50 30 EEEARN CCO/C=N/c1c(C#N)cnn1-c1nc(C)c(C(=O)OCC)s1 ZINC000004770874 210274144 /nfs/dbraw/zinc/27/41/44/210274144.db2.gz NKWXEFCLLABDOD-LZYBPNLTSA-N 0 0 333.373 2.382 50 30 EEEARN N#Cc1cccc(NC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)c1 ZINC000075164008 264026020 /nfs/dbraw/zinc/02/60/20/264026020.db2.gz UVPNWOPLEPSLBT-QGZVFWFLSA-N 0 0 333.351 2.136 50 30 EEEARN C=CCN1C(=S)N(c2ccc(CC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000004758700 277856918 /nfs/dbraw/zinc/85/69/18/277856918.db2.gz FVXIXCWTNABXHN-LSDHHAIUSA-N 0 0 336.482 2.008 50 30 EEEARN CN(C)N1C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000001422728 289227479 /nfs/dbraw/zinc/22/74/79/289227479.db2.gz QRRPMWJGFVIYQF-CYBMUJFWSA-N 0 0 329.356 2.394 50 30 EEEARN Cc1cc(-c2ccc(C=NNC(N)=N[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C ZINC000002190221 462589829 /nfs/dbraw/zinc/58/98/29/462589829.db2.gz CIWOLLSZEDFKRE-FRKPEAEDSA-N 0 0 346.303 2.111 50 30 EEEARN C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000002958429 462607915 /nfs/dbraw/zinc/60/79/15/462607915.db2.gz NHDLYQMNRMLMMO-UHFFFAOYSA-N 0 0 348.399 2.323 50 30 EEEARN O=C1C=CC(=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C=C1 ZINC000004134578 462627462 /nfs/dbraw/zinc/62/74/62/462627462.db2.gz DSXCXUDNZPAWLS-UHFFFAOYSA-N 0 0 326.717 2.073 50 30 EEEARN N#Cc1ccccc1OCC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000005638078 462664901 /nfs/dbraw/zinc/66/49/01/462664901.db2.gz HSRFHNZXMXZWLC-UHFFFAOYSA-N 0 0 338.363 2.067 50 30 EEEARN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000008225312 462774391 /nfs/dbraw/zinc/77/43/91/462774391.db2.gz BDXZQPYMNUGYAU-LBPRGKRZSA-N 0 0 344.392 2.369 50 30 EEEARN C=CCOC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O ZINC000008401895 462782042 /nfs/dbraw/zinc/78/20/42/462782042.db2.gz WUJGPIJJPFNZIM-UHFFFAOYSA-N 0 0 329.381 2.352 50 30 EEEARN Cc1ccc(C(=O)NCC(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 ZINC000008746670 462795237 /nfs/dbraw/zinc/79/52/37/462795237.db2.gz SACZXBJQZVXEBK-HNNXBMFYSA-N 0 0 346.390 2.488 50 30 EEEARN N#Cc1c(N)n[nH]c1CCCNC(=O)c1cc2ccccc2s1 ZINC000012628307 462860925 /nfs/dbraw/zinc/86/09/25/462860925.db2.gz NTTWRWJRTJBITI-UHFFFAOYSA-N 0 0 325.397 2.441 50 30 EEEARN COc1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1OC ZINC000014143801 462913859 /nfs/dbraw/zinc/91/38/59/462913859.db2.gz RNMYCSLVGOLKFR-UHFFFAOYSA-N 0 0 327.369 2.339 50 30 EEEARN N#CC1(NC(=O)CNc2ccccc2N2CCCC2=O)CCCC1 ZINC000015361506 462949363 /nfs/dbraw/zinc/94/93/63/462949363.db2.gz OOHXBDNSLVJQNY-UHFFFAOYSA-N 0 0 326.400 2.178 50 30 EEEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccccc1 ZINC000015919942 462966597 /nfs/dbraw/zinc/96/65/97/462966597.db2.gz PLUYFFJSGJBNAP-MRXNPFEDSA-N 0 0 341.338 2.396 50 30 EEEARN CC(=[NH+]C[C@H]1CCCO1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000018031835 463004657 /nfs/dbraw/zinc/00/46/57/463004657.db2.gz BHJRHDSYURHLFS-JQFNYASXSA-N 0 0 344.371 2.370 50 30 EEEARN CCn1c(CN(C)C)nnc1C1CCN(c2cc(C#N)ccn2)CC1 ZINC000096137223 463184742 /nfs/dbraw/zinc/18/47/42/463184742.db2.gz IJBBPHBTDDNWIF-UHFFFAOYSA-N 0 0 339.447 2.010 50 30 EEEARN CN1N=C(C(=O)Nc2nnc(Cc3ccccc3)s2)CCC1=O ZINC000027448326 463192297 /nfs/dbraw/zinc/19/22/97/463192297.db2.gz QTIGOKHZSAEVHY-UHFFFAOYSA-N 0 0 329.385 2.325 50 30 EEEARN C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000028417673 463225752 /nfs/dbraw/zinc/22/57/52/463225752.db2.gz UNXSISGXIGRXPF-AWEZNQCLSA-N 0 0 339.399 2.009 50 30 EEEARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2C#N)cc1 ZINC000029508807 463259662 /nfs/dbraw/zinc/25/96/62/463259662.db2.gz VGPXCXNLQGLCIX-UHFFFAOYSA-N 0 0 343.408 2.126 50 30 EEEARN Cc1nn(CC(=O)N2c3ccccc3CC[C@@H]2C)c(=O)c(C#N)c1C ZINC000029502359 463259802 /nfs/dbraw/zinc/25/98/02/463259802.db2.gz YYXIEKKXYGCFLR-LBPRGKRZSA-N 0 0 336.395 2.100 50 30 EEEARN C#Cc1cccc(N(C)C(=O)CNC(=O)c2ccc(F)c(F)c2)c1 ZINC000125764556 463576823 /nfs/dbraw/zinc/57/68/23/463576823.db2.gz AJHUBRQSLOWBOW-UHFFFAOYSA-N 0 0 328.318 2.339 50 30 EEEARN CCOc1cc(C#N)ccc1O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109716225 463646919 /nfs/dbraw/zinc/64/69/19/463646919.db2.gz LDKQTASPVCZIFE-GFCCVEGCSA-N 0 0 328.290 2.499 50 30 EEEARN COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000169805451 463672823 /nfs/dbraw/zinc/67/28/23/463672823.db2.gz SAHGSNVBPWJTIF-UHFFFAOYSA-N 0 0 345.399 2.402 50 30 EEEARN CCOc1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1Cl ZINC000112484336 463702832 /nfs/dbraw/zinc/70/28/32/463702832.db2.gz AAHCNHWMRGWKQQ-NSHDSACASA-N 0 0 344.758 2.490 50 30 EEEARN N#Cc1nccnc1O[C@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000225480412 464164261 /nfs/dbraw/zinc/16/42/61/464164261.db2.gz XFGAONMOGGJROJ-GFUIURDCSA-N 0 0 340.408 2.493 50 30 EEEARN N#Cc1c(N)nc(SCC2N=CC=N2)c(C#N)c1-c1ccc(O)cc1 ZINC000526061656 467648991 /nfs/dbraw/zinc/64/89/91/467648991.db2.gz CNHBWPSCLIEOFE-UHFFFAOYSA-N 0 0 348.391 2.353 50 30 EEEARN C=CCN(Cc1ccccc1Cl)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000055414009 518786369 /nfs/dbraw/zinc/78/63/69/518786369.db2.gz BIGBFHSJQCJHFR-AWEZNQCLSA-N 0 0 349.818 2.137 50 30 EEEARN CCOc1cccc(C=NN2CCN(c3ccccn3)CC2)c1O ZINC000244874824 521328870 /nfs/dbraw/zinc/32/88/70/521328870.db2.gz XHTITEXGXBUVDF-UHFFFAOYSA-N 0 0 326.400 2.342 50 30 EEEARN Cc1ccc(S(=O)(=O)NCC/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000001794235 525566887 /nfs/dbraw/zinc/56/68/87/525566887.db2.gz ABAUFFYEGFTMOO-SFQUDFHCSA-N 0 0 347.396 2.301 50 30 EEEARN COC(=O)[C@H]1C([O-])=C(C=[NH+]CCc2ccccc2)C(=O)CC1(C)C ZINC000102408539 679777616 /nfs/dbraw/zinc/77/76/16/679777616.db2.gz OCLUNMZKXQGIFE-OBEJXRGXSA-N 0 0 329.396 2.060 50 30 EEEARN N=C(NOS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1 ZINC000004682082 210246250 /nfs/dbraw/zinc/24/62/50/210246250.db2.gz ROTXYLNJLSOPLJ-UHFFFAOYSA-N 0 0 327.365 2.261 50 30 EEEARN CC(=O)Nc1cccc(C(=O)O/N=C2/C=C/C(=N\O)C=C2C)c1O ZINC000100154998 219092971 /nfs/dbraw/zinc/09/29/71/219092971.db2.gz HHPZCJVIRJSACT-FQEJOAFASA-N 0 0 329.312 2.210 50 30 EEEARN CC(=O)C(=NNc1ccc(Br)cc1)N1CCOCC1 ZINC000101634726 219149613 /nfs/dbraw/zinc/14/96/13/219149613.db2.gz WIVRFIVOQWZMAW-DTQAZKPQSA-N 0 0 326.194 2.096 50 30 EEEARN Cc1nnc(SCc2nc3ccccc3c(=O)n2CC#N)s1 ZINC000003389034 210024888 /nfs/dbraw/zinc/02/48/88/210024888.db2.gz HPDCYFJZRMVYNN-UHFFFAOYSA-N 0 0 329.410 2.372 50 30 EEEARN C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002468940 209855424 /nfs/dbraw/zinc/85/54/24/209855424.db2.gz SJTKZGOTDFJUKA-LSDHHAIUSA-N 0 0 329.356 2.418 50 30 EEEARN C=CCN(C(=O)[C@H](C)OC(C)=O)c1nc(C)c(C(=O)OCC)s1 ZINC000036612012 213101757 /nfs/dbraw/zinc/10/17/57/213101757.db2.gz JAYNOLPBESODLB-JTQLQIEISA-N 0 0 340.401 2.099 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000072331295 216155321 /nfs/dbraw/zinc/15/53/21/216155321.db2.gz RKMAURQHHQCPFX-UHFFFAOYSA-N 0 0 349.390 2.245 50 30 EEEARN COCc1cc(N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)ncn1 ZINC000218325065 241315311 /nfs/dbraw/zinc/31/53/11/241315311.db2.gz SSOCKYCKSVGGII-IAGOWNOFSA-N 0 0 340.383 2.143 50 30 EEEARN N#Cc1ccc(N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)nc1 ZINC000218953050 241353734 /nfs/dbraw/zinc/35/37/34/241353734.db2.gz UZIODXUAFZQECC-UHFFFAOYSA-N 0 0 344.378 2.005 50 30 EEEARN Cc1ccc(C(=O)NCCNC(=O)c2ccc(C#N)cc2)cc1F ZINC000013012494 211512225 /nfs/dbraw/zinc/51/22/25/211512225.db2.gz UGMYWJMSCLSAMA-UHFFFAOYSA-N 0 0 325.343 2.166 50 30 EEEARN N#Cc1c(=O)n(Cc2ccc3ccccc3n2)c(=O)n2c1CCCCC2 ZINC000012514566 211396393 /nfs/dbraw/zinc/39/63/93/211396393.db2.gz IMDHKUZRXYHVBP-UHFFFAOYSA-N 0 0 346.390 2.205 50 30 EEEARN C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(OC)c2)C1 ZINC000092098861 218120027 /nfs/dbraw/zinc/12/00/27/218120027.db2.gz UUZGEFSPFQYNDH-MRXNPFEDSA-N 0 0 325.430 2.035 50 30 EEEARN COc1ccc(C2CC(=O)C(=CN(C)C)C(=O)C2)c(OC)c1OC ZINC000095117701 218281470 /nfs/dbraw/zinc/28/14/70/218281470.db2.gz MHFRTSFWPQHLTC-UHFFFAOYSA-N 0 0 333.384 2.174 50 30 EEEARN CS[C@H]1CS(=O)(=O)CC1=NOC(=O)Nc1ccc(C)cc1 ZINC000008775323 211005092 /nfs/dbraw/zinc/00/50/92/211005092.db2.gz HHWPVVWLRXJSOL-CMHHUMAZSA-N 0 0 328.415 2.060 50 30 EEEARN C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095912822 218449243 /nfs/dbraw/zinc/44/92/43/218449243.db2.gz CNTXARLHZHVLRV-MJTHGBBVSA-N 0 0 330.424 2.051 50 30 biogenic,in-vitro EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1/C=C/c1ccccc1OC ZINC000004845138 210297256 /nfs/dbraw/zinc/29/72/56/210297256.db2.gz JCFGNHSQKKWCNT-ATWMFIQVSA-N 0 0 328.368 2.393 50 30 EEEARN CC1(C)C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1 ZINC000097360154 219014538 /nfs/dbraw/zinc/01/45/38/219014538.db2.gz SXVWTJUXDLPZGZ-MRXNPFEDSA-N 0 0 327.428 2.412 50 30 EEEARN C=CCN1COc2ccc3c(C)c(CC(=O)OC)c(=O)oc3c2C1 ZINC000057405812 258014931 /nfs/dbraw/zinc/01/49/31/258014931.db2.gz HQSWEAWNSGRWBY-UHFFFAOYSA-N 0 0 329.352 2.155 50 30 EEEARN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1F)c1ccccc1 ZINC000017124172 258056824 /nfs/dbraw/zinc/05/68/24/258056824.db2.gz VNZWNTIZDARYGH-INIZCTEOSA-N 0 0 341.338 2.396 50 30 EEEARN COc1cc(=O)n(C)cc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000225652237 277795186 /nfs/dbraw/zinc/79/51/86/277795186.db2.gz SPRMOELCFGCEKR-UHFFFAOYSA-N 0 0 329.381 2.068 50 30 EEEARN C=CCN1C(=O)C(=Cc2cccc(OC)c2OC)C(=O)NC1=S ZINC000000378753 462557175 /nfs/dbraw/zinc/55/71/75/462557175.db2.gz KXWRNWOGZMGZGX-PKNBQFBNSA-N 0 0 332.381 2.357 50 30 EEEARN Cc1ccc(S(=O)(=O)OC[C@H](C)[C@@H]2CS(=O)(=O)C2(C)C)cc1 ZINC000001721841 462586248 /nfs/dbraw/zinc/58/62/48/462586248.db2.gz JIOPURBIBVJCGQ-JSGCOSHPSA-N 0 0 346.470 2.160 50 30 EEEARN C=CCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 ZINC000002361352 462592628 /nfs/dbraw/zinc/59/26/28/462592628.db2.gz SHXZDDDWMMWYOQ-UHFFFAOYSA-N 0 0 326.356 2.156 50 30 EEEARN CCOC(=O)Cc1csc(NC(=O)COc2ccc(C#N)cc2)n1 ZINC000002659946 462599955 /nfs/dbraw/zinc/59/99/55/462599955.db2.gz BAHHNDKXMJLJGI-UHFFFAOYSA-N 0 0 345.380 2.138 50 30 EEEARN CCn1c(C)[n+](CCCS(=O)(=O)[O-])c2cc(C#N)c(Cl)cc21 ZINC000003121728 462610887 /nfs/dbraw/zinc/61/08/87/462610887.db2.gz KXCAFXJWXJQOGY-UHFFFAOYSA-O 0 0 342.828 2.060 50 30 EEEARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C#N ZINC000003480549 462619873 /nfs/dbraw/zinc/61/98/73/462619873.db2.gz AXTKVYRADDAPPW-JTQLQIEISA-N 0 0 338.458 2.488 50 30 EEEARN N/C(=N/O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005392759 462657520 /nfs/dbraw/zinc/65/75/20/462657520.db2.gz FRUQVVHSJYBWKU-UHFFFAOYSA-N 0 0 325.777 2.235 50 30 EEEARN COC(=O)C1CCN(C(=O)CSc2nc(C)cc(C)c2C#N)CC1 ZINC000005642170 462666657 /nfs/dbraw/zinc/66/66/57/462666657.db2.gz YPJVJJDTXDOGMC-UHFFFAOYSA-N 0 0 347.440 2.074 50 30 EEEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2 ZINC000006275377 462681203 /nfs/dbraw/zinc/68/12/03/462681203.db2.gz BKOUJTNGDCBRKT-ATVHPVEESA-N 0 0 332.381 2.426 50 30 EEEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ccc([N+](=O)[O-])cc1 ZINC000006471932 462687343 /nfs/dbraw/zinc/68/73/43/462687343.db2.gz MNHPZSLFBBAGDS-UHFFFAOYSA-N 0 0 327.256 2.271 50 30 EEEARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NC1(C#N)CCCC1 ZINC000006586257 462690563 /nfs/dbraw/zinc/69/05/63/462690563.db2.gz QZQIFNJYSQVXMR-UHFFFAOYSA-N 0 0 342.443 2.126 50 30 EEEARN C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000007463278 462737679 /nfs/dbraw/zinc/73/76/79/462737679.db2.gz OWHWLYFZCOFVMI-CJNGLKHVSA-N 0 0 333.384 2.092 50 30 EEEARN N#Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000007726758 462747561 /nfs/dbraw/zinc/74/75/61/462747561.db2.gz RCXCJPMXPIQVEK-UHFFFAOYSA-N 0 0 341.392 2.486 50 30 EEEARN C=CCOc1cccc(CN(CC)C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 ZINC000065491054 462781049 /nfs/dbraw/zinc/78/10/49/462781049.db2.gz XRVHGHYVDICOBP-MRXNPFEDSA-N 0 0 345.443 2.391 50 30 EEEARN C[C@]1(CCc2ccc(Oc3ncccc3C#N)cc2)NC(=O)NC1=O ZINC000008747255 462794883 /nfs/dbraw/zinc/79/48/83/462794883.db2.gz GVAOWQMBBZMGQI-GOSISDBHSA-N 0 0 336.351 2.276 50 30 EEEARN CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1 ZINC000012756067 462866126 /nfs/dbraw/zinc/86/61/26/462866126.db2.gz FZUWAODVGYJBLA-UHFFFAOYSA-N 0 0 347.371 2.102 50 30 EEEARN N#Cc1ccc(NC(=O)CCN2CCN(c3nccs3)CC2)cc1 ZINC000012791225 462868697 /nfs/dbraw/zinc/86/86/97/462868697.db2.gz OKWSNWYJSJXAHR-UHFFFAOYSA-N 0 0 341.440 2.166 50 30 EEEARN C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2OC)C1 ZINC000091365234 462875726 /nfs/dbraw/zinc/87/57/26/462875726.db2.gz NTQOVTALYBSPQL-MRXNPFEDSA-N 0 0 325.430 2.035 50 30 EEEARN NS(=O)(=O)c1ccc(NC(=S)NCc2cccs2)cc1 ZINC000013555185 462895465 /nfs/dbraw/zinc/89/54/65/462895465.db2.gz LVMCZNZMQWGQLZ-UHFFFAOYSA-N 0 0 327.456 2.293 50 30 EEEARN COc1ccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)cc1CO ZINC000013638952 462898581 /nfs/dbraw/zinc/89/85/81/462898581.db2.gz QZCMFQDOAKZPSV-ZVBGSRNCSA-N 0 0 348.362 2.261 50 30 EEEARN COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)c(OC)c1 ZINC000013692384 462899617 /nfs/dbraw/zinc/89/96/17/462899617.db2.gz PTSQENBHQQVMRL-UHFFFAOYSA-N 0 0 345.424 2.494 50 30 EEEARN COc1cc(C#N)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016084342 462968960 /nfs/dbraw/zinc/96/89/60/462968960.db2.gz AQNLQYPCJOPBFS-UHFFFAOYSA-N 0 0 334.309 2.243 50 30 EEEARN N#Cc1ccsc1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000016659744 462987728 /nfs/dbraw/zinc/98/77/28/462987728.db2.gz ZLBUHOLODMFITM-UHFFFAOYSA-N 0 0 344.327 2.214 50 30 EEEARN O=S(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F ZINC000095707997 463108709 /nfs/dbraw/zinc/10/87/09/463108709.db2.gz BWNNKSVRTCALAX-UHFFFAOYSA-N 0 0 326.161 2.065 50 30 EEEARN CN(CC(=O)NC(=O)Nc1ccccc1F)Cc1cccc(C#N)c1 ZINC000026325880 463158965 /nfs/dbraw/zinc/15/89/65/463158965.db2.gz QNZDLQZGVIGWRG-UHFFFAOYSA-N 0 0 340.358 2.477 50 30 EEEARN CSc1nnc(C)c(=O)n1/N=C/c1c(O)ccc2ccccc21 ZINC000027525750 463194124 /nfs/dbraw/zinc/19/41/24/463194124.db2.gz JOOSCNCIFCQEJG-RQZCQDPDSA-N 0 0 326.381 2.410 50 30 EEEARN C[C@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCCC1 ZINC000101063808 463376528 /nfs/dbraw/zinc/37/65/28/463376528.db2.gz CFVLLDQZBVBBSK-OYLHUBKDSA-N 0 0 333.432 2.236 50 30 EEEARN N#C[C@@H](C(=O)CCc1ccc2c(c1)OCO2)C(=O)Nc1ccccn1 ZINC000104055738 463407706 /nfs/dbraw/zinc/40/77/06/463407706.db2.gz YTDZLQHSQOHDJE-ZDUSSCGKSA-N 0 0 337.335 2.090 50 30 EEEARN C=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000003071474 518887321 /nfs/dbraw/zinc/88/73/21/518887321.db2.gz QNVGHQOHSWBAPN-UHFFFAOYSA-N 0 0 344.436 2.493 50 30 EEEARN C[C@@](C#N)(NC(=O)CNc1cc2c(cc1Cl)OCCO2)C1CC1 ZINC000029691103 525739702 /nfs/dbraw/zinc/73/97/02/525739702.db2.gz LBCNIJAEACAIFQ-INIZCTEOSA-N 0 0 335.791 2.332 50 30 EEEARN Cn1ccc(NC(=O)[C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000101821977 1293100134 /nfs/dbraw/zinc/10/01/34/1293100134.db2.gz MLUDGJVEOHRYIX-LVDDQXARSA-N 0 0 328.759 2.434 50 30 EEEARN C#CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000004536047 1350747384 /nfs/dbraw/zinc/74/73/84/1350747384.db2.gz CEVNMXBJSIBZTD-QGZVFWFLSA-N 0 0 325.339 2.343 50 30 EEEARN C=C1CC[C@H]2[C@@H](C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000585672079 792926548 /nfs/dbraw/zinc/92/65/48/792926548.db2.gz SDBITTRHSROXCY-FTVYAIMMSA-N 0 0 334.456 2.233 50 30 biogenic EEEARN COCC(=O)Nc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1Cl ZINC000952972006 796112166 /nfs/dbraw/zinc/11/21/66/796112166.db2.gz LYQZGYFZAMUIDB-UHFFFAOYSA-N 0 0 332.747 2.377 50 30 EEEARN C=CCN(Cc1ccccc1Cl)C(=O)CCN(C)S(C)(=O)=O ZINC000055402564 214320628 /nfs/dbraw/zinc/32/06/28/214320628.db2.gz CLKQIENSCBBQFH-UHFFFAOYSA-N 0 0 344.864 2.136 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccsc1 ZINC000056906502 214394191 /nfs/dbraw/zinc/39/41/91/214394191.db2.gz HZAUUTSDMLOGIU-CYBMUJFWSA-N 0 0 349.799 2.061 50 30 EEEARN COc1ccc(C)c(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CCC3)c1 ZINC000100197499 219094073 /nfs/dbraw/zinc/09/40/73/219094073.db2.gz SCADXOTUDJDJAA-LBPRGKRZSA-N 0 0 328.368 2.085 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C ZINC000100318950 219096829 /nfs/dbraw/zinc/09/68/29/219096829.db2.gz QTQAXYDCNKGTPR-TZIYXEQSSA-N 0 0 346.339 2.248 50 30 EEEARN Oc1ccc(Br)cc1C=NNc1ncnc2[nH]cnc21 ZINC000004106466 210120846 /nfs/dbraw/zinc/12/08/46/210120846.db2.gz JBHCSUZQNIVOCG-JJPRUIFNSA-N 0 0 333.149 2.267 50 30 EEEARN CCN(CC)S(=O)(=O)c1cccc(NC2=NC[C@H](C)S2)c1 ZINC000003885654 210083823 /nfs/dbraw/zinc/08/38/23/210083823.db2.gz PUAYGPJYKVHDRE-NSHDSACASA-N 0 0 327.475 2.430 50 30 EEEARN N#Cc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003445421 210041766 /nfs/dbraw/zinc/04/17/66/210041766.db2.gz BDDJYWXYDRCFNJ-UHFFFAOYSA-N 0 0 337.379 2.412 50 30 EEEARN N#Cc1cc2c(ccn(CCOc3ccccc3F)c2=O)nc1O ZINC000067769971 215207684 /nfs/dbraw/zinc/20/76/84/215207684.db2.gz INMMFQKDLNBHEY-UHFFFAOYSA-N 0 0 325.299 2.192 50 30 EEEARN COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)cc1OC ZINC000103542436 219313318 /nfs/dbraw/zinc/31/33/18/219313318.db2.gz BWTROINMJPDKNZ-IBOXJLQUSA-N 0 0 339.347 2.413 50 30 EEEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccncc2)c1 ZINC000001817789 209797373 /nfs/dbraw/zinc/79/73/73/209797373.db2.gz FKTYHWLFHYLDAI-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN CC(C)c1noc(CN2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000036803671 213120267 /nfs/dbraw/zinc/12/02/67/213120267.db2.gz VCHGYWYNHAIYSX-UHFFFAOYSA-N 0 0 325.416 2.382 50 30 EEEARN N#Cc1ccnc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)c1 ZINC000071764485 215820547 /nfs/dbraw/zinc/82/05/47/215820547.db2.gz QBNUQBOBLVENJN-OAHLLOKOSA-N 0 0 346.394 2.211 50 30 EEEARN N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 ZINC000072333903 216156386 /nfs/dbraw/zinc/15/63/86/216156386.db2.gz AKTFVPKXSIJRRB-UHFFFAOYSA-N 0 0 330.290 2.310 50 30 EEEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(N(C)C)cc2)C1=O ZINC000000135000 209442052 /nfs/dbraw/zinc/44/20/52/209442052.db2.gz JKKVVFMPJRZDMD-OAQYLSRUSA-N 0 0 348.402 2.193 50 30 EEEARN C#CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C ZINC000022762534 212322378 /nfs/dbraw/zinc/32/23/78/212322378.db2.gz PXLKASHMONGYTJ-UHFFFAOYSA-N 0 0 346.383 2.298 50 30 EEEARN CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC000022274557 212287243 /nfs/dbraw/zinc/28/72/43/212287243.db2.gz DPDOMWHJHSTMBC-UHFFFAOYSA-N 0 0 341.392 2.268 50 30 EEEARN COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000021224535 212217107 /nfs/dbraw/zinc/21/71/07/212217107.db2.gz REIUOQFNEIRMAL-UHFFFAOYSA-N 0 0 331.349 2.041 50 30 EEEARN C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2OC)C1 ZINC000011952974 211274908 /nfs/dbraw/zinc/27/49/08/211274908.db2.gz NAIFOEKXBIPECG-QGZVFWFLSA-N 0 0 340.423 2.082 50 30 EEEARN Cc1ccc(C#N)c(N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)n1 ZINC000095373167 218305062 /nfs/dbraw/zinc/30/50/62/218305062.db2.gz OACQEQJYOWNJJX-PXNSSMCTSA-N 0 0 335.407 2.312 50 30 EEEARN COc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1Cl ZINC000004935404 258051417 /nfs/dbraw/zinc/05/14/17/258051417.db2.gz YDOXFTORRHWUCU-UHFFFAOYSA-N 0 0 349.803 2.323 50 30 EEEARN COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)c(OC)c1 ZINC000102800673 258069551 /nfs/dbraw/zinc/06/95/51/258069551.db2.gz WTHSDQPIMUAVJH-UYTDBDHRSA-N 0 0 339.347 2.413 50 30 EEEARN COC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1cccc(O)c1 ZINC000049547802 292031787 /nfs/dbraw/zinc/03/17/87/292031787.db2.gz GOKXUCZNKSKSEI-MRXNPFEDSA-N 0 0 339.351 2.397 50 30 EEEARN COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)c(OC)c1 ZINC000004473639 286269123 /nfs/dbraw/zinc/26/91/23/286269123.db2.gz QQSLNVHVHGNFIY-UIIHFFCLSA-N 0 0 340.379 2.235 50 30 EEEARN CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1 ZINC000002543140 462594779 /nfs/dbraw/zinc/59/47/79/462594779.db2.gz MMELOGJEYXEKIE-YBFXNURJSA-N 0 0 343.408 2.472 50 30 EEEARN C=C(C)C(=O)n1c(C)c(Br)c(=O)n(C(C)(C)C)c1=O ZINC000000240073 462550475 /nfs/dbraw/zinc/55/04/75/462550475.db2.gz WPOXFGISYOWKNP-UHFFFAOYSA-N 0 0 329.194 2.052 50 30 EEEARN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@@H]2CC1 ZINC000003084936 462609752 /nfs/dbraw/zinc/60/97/52/462609752.db2.gz FEIFNQZDWYBITD-HTYHXWPKSA-N 0 0 325.324 2.126 50 30 EEEARN CON=CNc1nc2nccc([C@@H](C)Oc3cccc(F)c3)n2n1 ZINC000003134409 462611034 /nfs/dbraw/zinc/61/10/34/462611034.db2.gz GZIWXOUMCXUJHP-SNVBAGLBSA-N 0 0 330.323 2.405 50 30 EEEARN Cc1cc(C)cc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c1 ZINC000004575320 462635964 /nfs/dbraw/zinc/63/59/64/462635964.db2.gz RMGIICOYSJSCAG-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1F ZINC000005270142 462654053 /nfs/dbraw/zinc/65/40/53/462654053.db2.gz SUHYSYZFCKWOTK-UHFFFAOYSA-N 0 0 327.359 2.252 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)CNc1cc(=O)[nH]c(=S)[nH]1 ZINC000006017139 462674312 /nfs/dbraw/zinc/67/43/12/462674312.db2.gz DWLMVRYNRDUROG-UHFFFAOYSA-N 0 0 335.776 2.008 50 30 EEEARN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000006315173 462682220 /nfs/dbraw/zinc/68/22/20/462682220.db2.gz QLZCRXZZOPKZFW-UHFFFAOYSA-N 0 0 330.365 2.454 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000006997281 462716239 /nfs/dbraw/zinc/71/62/39/462716239.db2.gz ARBFZPQPRKWNOG-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN N#CC1(NC(=O)CN2CCO[C@@H](c3nccs3)C2)CCCCCC1 ZINC000065593914 462806557 /nfs/dbraw/zinc/80/65/57/462806557.db2.gz KINFXOISQDLZEA-CQSZACIVSA-N 0 0 348.472 2.249 50 30 EEEARN C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012609977 462860058 /nfs/dbraw/zinc/86/00/58/462860058.db2.gz JDDXWBXZOYDQLI-WDEREUQCSA-N 0 0 339.424 2.389 50 30 EEEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012770582 462866981 /nfs/dbraw/zinc/86/69/81/462866981.db2.gz RPQCDWIYTORNOS-UHFFFAOYSA-N 0 0 344.392 2.399 50 30 EEEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000014165061 462916189 /nfs/dbraw/zinc/91/61/89/462916189.db2.gz VOYIRFMQNLPORH-CQSZACIVSA-N 0 0 347.378 2.395 50 30 EEEARN C#CCNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 ZINC000014202405 462918360 /nfs/dbraw/zinc/91/83/60/462918360.db2.gz WYBUSSJHZNCORD-UHFFFAOYSA-N 0 0 328.393 2.224 50 30 EEEARN Cc1ccc(S(=O)(=O)OC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000077031481 462935056 /nfs/dbraw/zinc/93/50/56/462935056.db2.gz RIOKPEBUTRGTEA-UHFFFAOYSA-N 0 0 327.402 2.320 50 30 EEEARN CCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000020790103 463030527 /nfs/dbraw/zinc/03/05/27/463030527.db2.gz LIIFQOOLUMNBMU-UHFFFAOYSA-N 0 0 342.443 2.035 50 30 EEEARN N#CCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000025747558 463137338 /nfs/dbraw/zinc/13/73/38/463137338.db2.gz WLXSWTHEMROBJM-UHFFFAOYSA-N 0 0 348.255 2.213 50 30 EEEARN C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(C#N)cc1 ZINC000026127139 463151725 /nfs/dbraw/zinc/15/17/25/463151725.db2.gz WAQIISDQRLUUQD-NSHDSACASA-N 0 0 335.363 2.257 50 30 EEEARN Cc1nn(CC(=O)N2CCC[C@H]2c2cccs2)c(=O)c(C#N)c1C ZINC000027945001 463210813 /nfs/dbraw/zinc/21/08/13/463210813.db2.gz UYDJUHLEACWJMC-AWEZNQCLSA-N 0 0 342.424 2.157 50 30 EEEARN N#Cc1nc(C2CC2)oc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000032827767 463397338 /nfs/dbraw/zinc/39/73/38/463397338.db2.gz VZXHPBUASLJRLF-UHFFFAOYSA-N 0 0 340.343 2.053 50 30 EEEARN Cc1ccc2oc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)nc2n1 ZINC000033027377 463408028 /nfs/dbraw/zinc/40/80/28/463408028.db2.gz ONPWUOHDISGFCT-UHFFFAOYSA-N 0 0 347.378 2.365 50 30 EEEARN CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3ccc(F)cc3)[C@@]21C#N ZINC000104755889 463421828 /nfs/dbraw/zinc/42/18/28/463421828.db2.gz XHLOSWCVFCEMPE-KBMXLJTQSA-N 0 0 328.347 2.040 50 30 EEEARN N#Cc1ccnc(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)c1 ZINC000071764486 463422719 /nfs/dbraw/zinc/42/27/19/463422719.db2.gz QBNUQBOBLVENJN-HNNXBMFYSA-N 0 0 346.394 2.211 50 30 EEEARN C=CCNc1ncnc2c1CC[N@H+](Cc1ccccc1C(=O)[O-])CC2 ZINC000072421716 463511284 /nfs/dbraw/zinc/51/12/84/463511284.db2.gz FHZSIZKDUNLYHQ-UHFFFAOYSA-N 0 0 338.411 2.374 50 30 EEEARN CCOc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1Cl ZINC000112484334 463702849 /nfs/dbraw/zinc/70/28/49/463702849.db2.gz AAHCNHWMRGWKQQ-LLVKDONJSA-N 0 0 344.758 2.490 50 30 EEEARN C=CCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccsc2c1=O ZINC000011271919 519256748 /nfs/dbraw/zinc/25/67/48/519256748.db2.gz WRXMNQGTEOUJOG-SECBINFHSA-N 0 0 335.454 2.403 50 30 EEEARN Cn1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cn1 ZINC000014702621 527173025 /nfs/dbraw/zinc/17/30/25/527173025.db2.gz NHAQPHVNKOAEDB-UHFFFAOYSA-N 0 0 336.351 2.328 50 30 EEEARN CC(=O)N1CCN(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)CC1 ZINC000108857231 685578190 /nfs/dbraw/zinc/57/81/90/685578190.db2.gz UUYQUDSISOJFFI-UYRXBGFRSA-N 0 0 341.455 2.031 50 30 EEEARN CC(C)(O)C#Cc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000828172213 800619842 /nfs/dbraw/zinc/61/98/42/800619842.db2.gz PSWOVANVFOAQSE-UHFFFAOYSA-N 0 0 349.434 2.166 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)OCC ZINC000055383393 214314488 /nfs/dbraw/zinc/31/44/88/214314488.db2.gz DVZMEVUMFDBWDZ-OAHLLOKOSA-N 0 0 347.411 2.436 50 30 EEEARN C=CCNC1=NC(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)S1 ZINC000004690236 210248936 /nfs/dbraw/zinc/24/89/36/210248936.db2.gz VKDKOENPQXUYCE-CYBMUJFWSA-N 0 0 333.413 2.188 50 30 EEEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O ZINC000004488324 210201585 /nfs/dbraw/zinc/20/15/85/210201585.db2.gz XNWCITUFVCNKRD-ZDUSSCGKSA-N 0 0 347.396 2.224 50 30 EEEARN Cn1c2ccccc2c2nnc(N=NCc3ccc(O)cc3O)nc21 ZINC000004116896 210123226 /nfs/dbraw/zinc/12/32/26/210123226.db2.gz FHEBAASCAOJDSP-GIJQJNRQSA-N 0 0 334.339 2.374 50 30 EEEARN COc1nc2ccn(CCc3scnc3C)c(=O)c2cc1C#N ZINC000067756062 215204419 /nfs/dbraw/zinc/20/44/19/215204419.db2.gz OIUXMHCHTQSEMZ-UHFFFAOYSA-N 0 0 326.381 2.284 50 30 EEEARN N#Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000024247624 212415735 /nfs/dbraw/zinc/41/57/35/212415735.db2.gz AUVUHPQLDNVNIS-UHFFFAOYSA-N 0 0 334.423 2.315 50 30 EEEARN N#C[C@H]1CCCN(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 ZINC000426563291 241309517 /nfs/dbraw/zinc/30/95/17/241309517.db2.gz MHDLEMUIEVLJGB-CYBMUJFWSA-N 0 0 327.363 2.457 50 30 EEEARN CC[NH+](CC)CCOC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000019300260 212013925 /nfs/dbraw/zinc/01/39/25/212013925.db2.gz BBRIYINIFSNQLX-UHFFFAOYSA-N 0 0 334.825 2.301 50 30 EEEARN CNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N ZINC000012421061 211374628 /nfs/dbraw/zinc/37/46/28/211374628.db2.gz CIPANDLAVXRKHJ-UHFFFAOYSA-N 0 0 346.412 2.430 50 30 EEEARN CNC(=O)NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000010399413 211170426 /nfs/dbraw/zinc/17/04/26/211170426.db2.gz PIGMBIHZJNSSOE-SSDOTTSWSA-N 0 0 346.334 2.217 50 30 EEEARN C=CCn1c(SCCC(N)=O)nc2scc(C3CC3)c2c1=O ZINC000010201947 211153155 /nfs/dbraw/zinc/15/31/55/211153155.db2.gz LWWOQIZACYNRNA-UHFFFAOYSA-N 0 0 335.454 2.489 50 30 EEEARN N#Cc1ccc(OC[C@@H](O)COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000008726195 210992267 /nfs/dbraw/zinc/99/22/67/210992267.db2.gz FUKJKRZHFWWZHI-CYBMUJFWSA-N 0 0 332.287 2.424 50 30 EEEARN CCOc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 ZINC000005001084 210357832 /nfs/dbraw/zinc/35/78/32/210357832.db2.gz WXOPMRUHKRXZHH-UHFFFAOYSA-N 0 0 325.368 2.374 50 30 EEEARN C=CCn1cc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(C)n1 ZINC000055060703 258014564 /nfs/dbraw/zinc/01/45/64/258014564.db2.gz HVDAUDLHEPXONN-SFHVURJKSA-N 0 0 339.443 2.053 50 30 EEEARN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n1 ZINC000122139869 222022250 /nfs/dbraw/zinc/02/22/50/222022250.db2.gz KZEPLGSHOISFNY-ZDUSSCGKSA-N 0 0 339.399 2.077 50 30 EEEARN CCOC(=O)c1cc(C#N)c(=O)n2c1N(Cc1ccccc1F)CC2 ZINC000072333524 276296994 /nfs/dbraw/zinc/29/69/94/276296994.db2.gz JJBSMVNKMIQOCL-UHFFFAOYSA-N 0 0 341.342 2.056 50 30 EEEARN C=CCOc1cccc([C@H]2NC(=S)N=C(C)C2C(=O)OC)c1OC ZINC000027018017 277878021 /nfs/dbraw/zinc/87/80/21/277878021.db2.gz CLOYBJLALUYVJM-CQSZACIVSA-N 0 0 348.424 2.226 50 30 EEEARN CN(C)c1ccc(/C=N/NC(=S)NC[C@@H]2CCCO2)c(Cl)c1 ZINC000000111649 462542189 /nfs/dbraw/zinc/54/21/89/462542189.db2.gz WRXGIUBDPJXMMM-VVSAQIQQSA-N 0 0 340.880 2.383 50 30 EEEARN Cc1ccccc1OCC(=O)ONC(=N)c1cccc([N+](=O)[O-])c1 ZINC000004550771 462634144 /nfs/dbraw/zinc/63/41/44/462634144.db2.gz QCLWGXDJLQAUFL-UHFFFAOYSA-N 0 0 329.312 2.146 50 30 EEEARN Cc1noc(C)c1S(=O)(=O)N(CCC#N)Cc1cccs1 ZINC000005677904 462666371 /nfs/dbraw/zinc/66/63/71/462666371.db2.gz ZRFIMPRULGGTJL-UHFFFAOYSA-N 0 0 325.415 2.458 50 30 EEEARN C#CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OC ZINC000006311666 462682309 /nfs/dbraw/zinc/68/23/09/462682309.db2.gz WCIFNGLTXCEPLL-RAXLEYEMSA-N 0 0 330.409 2.127 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2[nH]c3ccccc3n21 ZINC000006506409 462687602 /nfs/dbraw/zinc/68/76/02/462687602.db2.gz BOCAQYHBALMJPR-INIZCTEOSA-N 0 0 342.428 2.357 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000006923288 462712649 /nfs/dbraw/zinc/71/26/49/462712649.db2.gz ODZPTSZDOABZDQ-UHFFFAOYSA-N 0 0 336.351 2.429 50 30 EEEARN COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000008718079 462791936 /nfs/dbraw/zinc/79/19/36/462791936.db2.gz KCTIIDKPKPGDOX-CYBMUJFWSA-N 0 0 342.376 2.412 50 30 EEEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc2c(c1)OCO2 ZINC000012546362 462855890 /nfs/dbraw/zinc/85/58/90/462855890.db2.gz YPBXBSGFHVGPEA-UHFFFAOYSA-N 0 0 334.335 2.008 50 30 EEEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nnc2ccccn21 ZINC000012622321 462861252 /nfs/dbraw/zinc/86/12/52/462861252.db2.gz DNEAGGTXPIIVRP-UHFFFAOYSA-N 0 0 346.350 2.223 50 30 EEEARN Cc1ccc(S(=O)(=O)N=C(N)NCCc2ccccc2)cc1C ZINC000013116740 462885321 /nfs/dbraw/zinc/88/53/21/462885321.db2.gz DLYHYIUFTJVQSP-UHFFFAOYSA-N 0 0 331.441 2.139 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000024193328 463081091 /nfs/dbraw/zinc/08/10/91/463081091.db2.gz QCGGQSNNMQOVIA-UHFFFAOYSA-N 0 0 347.418 2.451 50 30 EEEARN N#CCn1c(=O)c2ccccc2nc1CN1CCc2ccccc2C1 ZINC000029032018 463239671 /nfs/dbraw/zinc/23/96/71/463239671.db2.gz CMLZTWHSRVVPDL-UHFFFAOYSA-N 0 0 330.391 2.478 50 30 EEEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1sccc1-n1cnnn1 ZINC000123042958 463312350 /nfs/dbraw/zinc/31/23/50/463312350.db2.gz MEZVRROXARKYSN-SNVBAGLBSA-N 0 0 349.379 2.101 50 30 EEEARN Cc1[nH][nH]c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100363966 463373417 /nfs/dbraw/zinc/37/34/17/463373417.db2.gz JGLGUOLSSHYZSX-CHWSQXEVSA-N 0 0 331.173 2.318 50 30 EEEARN C#CCn1c2cc3c(cc2s/c1=N/C(=O)c1cc(C)no1)OCO3 ZINC000101135191 463376698 /nfs/dbraw/zinc/37/66/98/463376698.db2.gz FFALXJMMNROTCJ-WUKNDPDISA-N 0 0 341.348 2.102 50 30 EEEARN COc1cc(NC(=O)c2ccc(C#N)cc2)ccc1NS(C)(=O)=O ZINC000032818592 463396186 /nfs/dbraw/zinc/39/61/86/463396186.db2.gz OYFSYEOMIFZXAZ-UHFFFAOYSA-N 0 0 345.380 2.191 50 30 EEEARN COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000032960707 463405241 /nfs/dbraw/zinc/40/52/41/463405241.db2.gz MSFZDVAPLOYOBX-UHFFFAOYSA-N 0 0 344.392 2.369 50 30 EEEARN N#Cc1nccnc1O[C@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000225798672 464182160 /nfs/dbraw/zinc/18/21/60/464182160.db2.gz LMXFHFWBHIQFDB-PCAWENJQSA-N 0 0 326.381 2.103 50 30 EEEARN C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000014964992 518258367 /nfs/dbraw/zinc/25/83/67/518258367.db2.gz KYMHKYJGZFJZDB-KRWDZBQOSA-N 0 0 342.414 2.255 50 30 EEEARN C=CCN(Cc1ccccc1Cl)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000055414007 518786214 /nfs/dbraw/zinc/78/62/14/518786214.db2.gz BIGBFHSJQCJHFR-CQSZACIVSA-N 0 0 349.818 2.137 50 30 EEEARN CC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)c1ncnn1CC ZINC000244899863 522529110 /nfs/dbraw/zinc/52/91/10/522529110.db2.gz ZRSCVSBNOQWJGQ-INIZCTEOSA-N 0 0 340.427 2.302 50 30 EEEARN Cc1cc(N2CCN(C[C@@H](C#N)CCC#N)CC2)nc(C(C)C)n1 ZINC000025694293 525081329 /nfs/dbraw/zinc/08/13/29/525081329.db2.gz MHDHHRAOHXAYJS-MRXNPFEDSA-N 0 0 326.448 2.474 50 30 EEEARN O=[N+]([O-])[C@H](/C=N\OCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005518362 527319216 /nfs/dbraw/zinc/31/92/16/527319216.db2.gz HOFTUJQQLFXKHG-CNYBTUBUSA-N 0 0 334.353 2.266 50 30 EEEARN Cn1nnnc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000003220953 527657684 /nfs/dbraw/zinc/65/76/84/527657684.db2.gz ZYWIRPBJZQTOCS-NTEUORMPSA-N 0 0 329.429 2.183 50 30 EEEARN CN(C)[C@H](CNC=C1C(=O)Oc2ccccc2C1=O)c1ccco1 ZINC000828327187 1204933820 /nfs/dbraw/zinc/93/38/20/1204933820.db2.gz HIEYNFCLUPNMQC-QLKUMGTLSA-N 0 0 326.352 2.158 50 30 EEEARN C=CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012744747 1221999518 /nfs/dbraw/zinc/99/95/18/1221999518.db2.gz WSSPAUBMPHLAKB-UHFFFAOYSA-N 0 0 328.412 2.382 50 30 EEEARN C=C(C)COc1ccccc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000055053482 214267840 /nfs/dbraw/zinc/26/78/40/214267840.db2.gz FKBYNZQLVJVILM-CQSZACIVSA-N 0 0 328.412 2.382 50 30 EEEARN C=CCc1ccccc1OC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000100702699 219104986 /nfs/dbraw/zinc/10/49/86/219104986.db2.gz JVWUCIUEDZXURM-IKGGRYGDSA-N 0 0 341.407 2.106 50 30 EEEARN CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1 ZINC000100820596 219108209 /nfs/dbraw/zinc/10/82/09/219108209.db2.gz YRIINUSRBWQNLE-FMIVXFBMSA-N 0 0 347.348 2.171 50 30 EEEARN CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)C(C)(C)C)nc2c1 ZINC000100904567 219111054 /nfs/dbraw/zinc/11/10/54/219111054.db2.gz OQFCZWWXMYULTF-FMIVXFBMSA-N 0 0 337.397 2.310 50 30 EEEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004005945 210098683 /nfs/dbraw/zinc/09/86/83/210098683.db2.gz SJTKZGOTDFJUKA-CABCVRRESA-N 0 0 329.356 2.418 50 30 EEEARN CCOc1cc(C=O)cc(I)c1OCC#N ZINC000002767139 209907218 /nfs/dbraw/zinc/90/72/18/209907218.db2.gz FIJVHNGGJOCDQD-UHFFFAOYSA-N 0 0 331.109 2.405 50 30 EEEARN N#Cc1cnc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000128686228 222978746 /nfs/dbraw/zinc/97/87/46/222978746.db2.gz IACUCSYSEYHDHA-ZDUSSCGKSA-N 0 0 331.738 2.358 50 30 EEEARN C=CCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)C(C)C ZINC000035767029 213048723 /nfs/dbraw/zinc/04/87/23/213048723.db2.gz IYBOPBUDULYVDT-QGZVFWFLSA-N 0 0 348.443 2.458 50 30 EEEARN N#Cc1cccnc1NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000029081511 212651282 /nfs/dbraw/zinc/65/12/82/212651282.db2.gz UTDXMBNAZJHOHO-UHFFFAOYSA-N 0 0 335.411 2.468 50 30 EEEARN N#Cc1ccc(OCC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000023417482 212375883 /nfs/dbraw/zinc/37/58/83/212375883.db2.gz FPAUULKSCLJVHK-UHFFFAOYSA-N 0 0 341.436 2.343 50 30 EEEARN COCCN(CCOC)C(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426398997 241275669 /nfs/dbraw/zinc/27/56/69/241275669.db2.gz IMSWKKXSSRSRPU-UHFFFAOYSA-N 0 0 339.395 2.355 50 30 EEEARN O[C@@](C#CCN1CCOCC1)(c1ccccc1)c1cccc(F)c1 ZINC000019929010 212085843 /nfs/dbraw/zinc/08/58/43/212085843.db2.gz LAMXGZLYTSWZRB-FQEVSTJZSA-N 0 0 325.383 2.397 50 30 EEEARN COc1ccc(N2CCN(C(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 ZINC000091756709 218060675 /nfs/dbraw/zinc/06/06/75/218060675.db2.gz WRMWTAVVGQHIPQ-AWEZNQCLSA-N 0 0 349.390 2.444 50 30 EEEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000008735013 210995006 /nfs/dbraw/zinc/99/50/06/210995006.db2.gz IEWAUNRXATZTSB-ZDUSSCGKSA-N 0 0 338.363 2.413 50 30 EEEARN C=CCN1C(=S)N(c2ccc(CC)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000004758708 210271899 /nfs/dbraw/zinc/27/18/99/210271899.db2.gz FVXIXCWTNABXHN-HUUCEWRRSA-N 0 0 336.482 2.008 50 30 EEEARN COC(=O)c1ccc([C@H]2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005783082 292017144 /nfs/dbraw/zinc/01/71/44/292017144.db2.gz FEFTUAOLZHNWSJ-OAHLLOKOSA-N 0 0 328.368 2.470 50 30 EEEARN O=C1Nc2ccc(F)cc2C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004751111 275024721 /nfs/dbraw/zinc/02/47/21/275024721.db2.gz GOGPUJIXGJHCAM-UHFFFAOYSA-N 0 0 345.246 2.410 50 30 EEEARN C=CCNC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O ZINC000033126684 275431834 /nfs/dbraw/zinc/43/18/34/275431834.db2.gz GIOUXBVKZRGPLF-UHFFFAOYSA-N 0 0 340.354 2.411 50 30 EEEARN CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 ZINC000005377114 281849028 /nfs/dbraw/zinc/84/90/28/281849028.db2.gz TZHILZQQHPRLHL-JJLJGCLUSA-N 0 0 338.454 2.006 50 30 EEEARN CN(CC(=O)Nc1ccc2scnc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000328697505 465102347 /nfs/dbraw/zinc/10/23/47/465102347.db2.gz UQDYKXYGYLPOQF-NSHDSACASA-N 0 0 339.442 2.003 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000237374 462550229 /nfs/dbraw/zinc/55/02/29/462550229.db2.gz KMQYZWJNPAKLOK-ABAIWWIYSA-N 0 0 346.339 2.058 50 30 EEEARN C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000002059286 462588670 /nfs/dbraw/zinc/58/86/70/462588670.db2.gz UBGJANQPUKGGJH-MRXNPFEDSA-N 0 0 346.383 2.403 50 30 EEEARN CC[C@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000003259544 462613817 /nfs/dbraw/zinc/61/38/17/462613817.db2.gz NBNQNSIIBAJPLY-HNNXBMFYSA-N 0 0 330.384 2.271 50 30 EEEARN N=C1C(c2nc3ccccc3[nH]2)C(O)=CN1c1ccc2cn[nH]c2c1 ZINC000006400123 462686088 /nfs/dbraw/zinc/68/60/88/462686088.db2.gz COEPYUKCKUXQEE-UHFFFAOYSA-N 0 0 330.351 2.156 50 30 EEEARN O=C1c2ccccc2C(=O)N1CC#CCN1CCc2ccccc2C1 ZINC000075172923 462691078 /nfs/dbraw/zinc/69/10/78/462691078.db2.gz OJTSGHBFIWSRCB-UHFFFAOYSA-N 0 0 330.387 2.344 50 30 EEEARN COc1cc(C(=O)ONC(=N)c2cccc(C)c2)cc(OC)c1OC ZINC000012655293 462862230 /nfs/dbraw/zinc/86/22/30/462862230.db2.gz RGHHVFWEWGEMQI-UHFFFAOYSA-N 0 0 344.367 2.498 50 30 EEEARN C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 ZINC000012759359 462867727 /nfs/dbraw/zinc/86/77/27/462867727.db2.gz CKVRMNRJTYGEBT-BBRMVZONSA-N 0 0 349.456 2.187 50 30 EEEARN CCOC(=O)c1cccc(N2CC(=O)C(c3nc(C)cs3)=C2N)c1 ZINC000013723076 462902350 /nfs/dbraw/zinc/90/23/50/462902350.db2.gz KMTDCUXINANWBM-UHFFFAOYSA-N 0 0 343.408 2.345 50 30 EEEARN N#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000014142947 462913832 /nfs/dbraw/zinc/91/38/32/462913832.db2.gz AHLDQEUNEMNRMZ-UHFFFAOYSA-N 0 0 329.669 2.461 50 30 EEEARN COC(=O)c1ccc(OC)cc1OS(=O)(=O)c1cccc(C#N)c1 ZINC000016084173 462969570 /nfs/dbraw/zinc/96/95/70/462969570.db2.gz SFLIXOWHWWRWTI-UHFFFAOYSA-N 0 0 347.348 2.121 50 30 EEEARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000017169598 462997338 /nfs/dbraw/zinc/99/73/38/462997338.db2.gz MJFLHPTUFDDZAL-CYBMUJFWSA-N 0 0 330.384 2.127 50 30 EEEARN CC[C@@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O ZINC000018155799 463007241 /nfs/dbraw/zinc/00/72/41/463007241.db2.gz PCMNADZKATXNNI-YLCNQMKUSA-N 0 0 330.406 2.244 50 30 EEEARN COc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1 ZINC000018240447 463009508 /nfs/dbraw/zinc/00/95/08/463009508.db2.gz XRXNZQSIYLFDNZ-UHFFFAOYSA-N 0 0 339.380 2.147 50 30 EEEARN Cc1nnc(N2CCN(C(=O)c3ccccc3F)CC2)c(C#N)c1C ZINC000029523285 463261112 /nfs/dbraw/zinc/26/11/12/463261112.db2.gz IAKGPUGZMSRAME-UHFFFAOYSA-N 0 0 339.374 2.067 50 30 EEEARN Cc1ccc(NC(=O)CN(C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000030541260 463302406 /nfs/dbraw/zinc/30/24/06/463302406.db2.gz USIXQEGNTRDGRR-UHFFFAOYSA-N 0 0 342.443 2.208 50 30 EEEARN N#Cc1cccc(COC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 ZINC000101246832 463377399 /nfs/dbraw/zinc/37/73/99/463377399.db2.gz HFWSCTMYVRJBTL-QGZVFWFLSA-N 0 0 348.358 2.120 50 30 EEEARN C=C(C)CN(CC)C(=O)c1ccc2c(c1)[nH]c(=O)n(C(C)C)c2=O ZINC000032924449 463402258 /nfs/dbraw/zinc/40/22/58/463402258.db2.gz JNJMHUUHTFMKIY-UHFFFAOYSA-N 0 0 329.400 2.309 50 30 EEEARN COC(=O)CCn1cc(-c2c3c(nc(N)c2C#N)[C@H]2CC[C@@H]3C2)cn1 ZINC000071756855 463422171 /nfs/dbraw/zinc/42/21/71/463422171.db2.gz PKPZUTLMJYDIAA-MNOVXSKESA-N 0 0 337.383 2.327 50 30 EEEARN CCOC(=O)c1ccc(N2N=C(C#N)C(=O)N3CCCCC[C@H]32)cc1 ZINC000033436176 463422319 /nfs/dbraw/zinc/42/23/19/463422319.db2.gz ITGQTZYABUAKTM-MRXNPFEDSA-N 0 0 340.383 2.292 50 30 EEEARN N#Cc1ccnc(O[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000575612232 468148434 /nfs/dbraw/zinc/14/84/34/468148434.db2.gz JWVMIAKVVGGWPI-OAHLLOKOSA-N 0 0 343.408 2.185 50 30 EEEARN C#C[C@](C)(CC)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000001425904 518356980 /nfs/dbraw/zinc/35/69/80/518356980.db2.gz MJPFXEQJIYVCBR-OAHLLOKOSA-N 0 0 349.847 2.326 50 30 EEEARN CCCCOc1ccc(CO/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000001785881 520884071 /nfs/dbraw/zinc/88/40/71/520884071.db2.gz NWECFJNREIYCFD-VCHYOVAHSA-N 0 0 331.372 2.101 50 30 EEEARN Cc1cccc(NC(=O)COc2ccc(/C=N/n3cnnc3)cc2)c1 ZINC000002995657 524599812 /nfs/dbraw/zinc/59/98/12/524599812.db2.gz FKCRUZHAMFWNKJ-UFFVCSGVSA-N 0 0 335.367 2.486 50 30 EEEARN Cc1ccc(C(=O)NCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000008746674 526155233 /nfs/dbraw/zinc/15/52/33/526155233.db2.gz YTLFSSSULOOPSN-AWEZNQCLSA-N 0 0 332.363 2.478 50 30 EEEARN Cc1nnc(=O)[nH]c1NN=Cc1ccccc1OCc1ccccc1 ZINC000003946840 526323207 /nfs/dbraw/zinc/32/32/07/526323207.db2.gz FGDMIWUBHWJBQB-YBFXNURJSA-N 0 0 335.367 2.498 50 30 EEEARN N#CC1(c2ccccc2)CCN(C(=O)CCN2CCCCC2=O)CC1 ZINC000244882433 526438334 /nfs/dbraw/zinc/43/83/34/526438334.db2.gz XROBPDBAVUAKMD-UHFFFAOYSA-N 0 0 339.439 2.473 50 30 EEEARN Cn1ccc(NC(=O)[C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000101821981 1293100367 /nfs/dbraw/zinc/10/03/67/1293100367.db2.gz MLUDGJVEOHRYIX-WXJAXGNASA-N 0 0 328.759 2.434 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)o1 ZINC001506396750 1114595290 /nfs/dbraw/zinc/59/52/90/1114595290.db2.gz KEHIEZJBQJHOFF-HNNXBMFYSA-N 0 0 331.343 2.005 50 30 EEEARN C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC ZINC000053319115 214176902 /nfs/dbraw/zinc/17/69/02/214176902.db2.gz SWNYBTNLQRACNK-UHFFFAOYSA-N 0 0 333.436 2.382 50 30 EEEARN CCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(C)(=O)=O ZINC000122065407 529605622 /nfs/dbraw/zinc/60/56/22/529605622.db2.gz QXFKYKPMVZMGEF-UHFFFAOYSA-N 0 0 342.420 2.454 50 30 EEEARN CSc1nc2n(n1)[C@@H](c1ccnn1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000017071888 295690223 /nfs/dbraw/zinc/69/02/23/295690223.db2.gz HTJYUJPMKLFTPQ-ZDUSSCGKSA-N 0 0 344.444 2.392 50 30 EEEARN Cc1nnc2ccc(N=NCc3cc(Br)ccc3O)nn12 ZINC000004593426 210229514 /nfs/dbraw/zinc/22/95/14/210229514.db2.gz BEZSWBSRCJGLGA-VIZOYTHASA-N 0 0 347.176 2.347 50 30 EEEARN COC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1cccc(O)c1 ZINC000049547800 214017340 /nfs/dbraw/zinc/01/73/40/214017340.db2.gz GOKXUCZNKSKSEI-INIZCTEOSA-N 0 0 339.351 2.397 50 30 EEEARN C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O ZINC000004488325 210200973 /nfs/dbraw/zinc/20/09/73/210200973.db2.gz ZCNMVPRVNFNONM-GFCCVEGCSA-N 0 0 348.380 2.052 50 30 EEEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O ZINC000004488326 210200854 /nfs/dbraw/zinc/20/08/54/210200854.db2.gz ZCNMVPRVNFNONM-LBPRGKRZSA-N 0 0 348.380 2.052 50 30 EEEARN CCN1C(=O)[C@@H](C)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 ZINC000101483263 219128996 /nfs/dbraw/zinc/12/89/96/219128996.db2.gz FDOYTASPLREELF-NNMUPBNFSA-N 0 0 338.863 2.430 50 30 EEEARN CNC(=O)[C@H](C#N)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000102708175 219223831 /nfs/dbraw/zinc/22/38/31/219223831.db2.gz HZVGNPFGBUPFGN-MRVPVSSYSA-N 0 0 348.712 2.011 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(O)cc1 ZINC000040357826 213293196 /nfs/dbraw/zinc/29/31/96/213293196.db2.gz LJXGIURCNFJGCW-MRXNPFEDSA-N 0 0 333.384 2.492 50 30 EEEARN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270608 216094008 /nfs/dbraw/zinc/09/40/08/216094008.db2.gz DNUBYVQBTSGRIX-GJZGRUSLSA-N 0 0 329.448 2.320 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)Nc2ccccc2)CC1 ZINC000206608302 241045119 /nfs/dbraw/zinc/04/51/19/241045119.db2.gz ACNNTBFOFOEYRY-UHFFFAOYSA-N 0 0 336.399 2.386 50 30 EEEARN CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426545204 241306756 /nfs/dbraw/zinc/30/67/56/241306756.db2.gz ZVGMPKJGSGBWGS-CYBMUJFWSA-N 0 0 336.395 2.217 50 30 EEEARN CCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000020255687 212114582 /nfs/dbraw/zinc/11/45/82/212114582.db2.gz AJXCWDVJCAMSCX-UHFFFAOYSA-N 0 0 344.459 2.111 50 30 EEEARN N#Cc1nc(COc2ccccc2)oc1NCCCN1CCOCC1 ZINC000019911288 212082565 /nfs/dbraw/zinc/08/25/65/212082565.db2.gz QIIZPURHTMIUAU-UHFFFAOYSA-N 0 0 342.399 2.259 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCOCC3)sc2C1 ZINC000019902693 212082001 /nfs/dbraw/zinc/08/20/01/212082001.db2.gz OCVGZJQNBMQSQM-GFCCVEGCSA-N 0 0 333.457 2.405 50 30 EEEARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)OCC#N)cc1 ZINC000007824807 210854030 /nfs/dbraw/zinc/85/40/30/210854030.db2.gz VKIWUGGZRKCRDJ-UHFFFAOYSA-N 0 0 336.413 2.320 50 30 EEEARN C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2c2nc(C)nn21 ZINC000013230454 258017475 /nfs/dbraw/zinc/01/74/75/258017475.db2.gz PLKROYIJLURVTB-SNVBAGLBSA-N 0 0 327.413 2.369 50 30 EEEARN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C#N)ccn2)cc1 ZINC000426428753 273547077 /nfs/dbraw/zinc/54/70/77/273547077.db2.gz JSCGWSOHCSKBCN-GOSISDBHSA-N 0 0 348.406 2.217 50 30 EEEARN COc1ccc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000000494075 274104885 /nfs/dbraw/zinc/10/48/85/274104885.db2.gz SRFPVHYAPYBZLI-UHFFFAOYSA-N 0 0 336.307 2.361 50 30 EEEARN C=CCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 ZINC000012584910 277822044 /nfs/dbraw/zinc/82/20/44/277822044.db2.gz MBFCALLOLRYZSN-HNNXBMFYSA-N 0 0 344.459 2.144 50 30 EEEARN COc1ccccc1NC(=S)N/N=C1\C(=O)Nc2ccccc21 ZINC000006424812 278058137 /nfs/dbraw/zinc/05/81/37/278058137.db2.gz VDPYEPNVGRCIOQ-UHFFFAOYSA-N 0 0 326.381 2.338 50 30 EEEARN CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C=O ZINC000072233788 278398366 /nfs/dbraw/zinc/39/83/66/278398366.db2.gz GXVOIJWTXUNBIQ-HNNXBMFYSA-N 0 0 348.399 2.443 50 30 EEEARN CSc1nc(C(C)(C)C)c(=O)n(/N=C/c2ccc3c(c2)OCO3)n1 ZINC000002546669 462595740 /nfs/dbraw/zinc/59/57/40/462595740.db2.gz JBFPLTDIMPSSOY-CAOOACKPSA-N 0 0 346.412 2.269 50 30 EEEARN COc1cc(/C=N/n2c(=O)c(C(C)(C)C)nnc2SC)ccc1O ZINC000000117093 462543030 /nfs/dbraw/zinc/54/30/30/462543030.db2.gz ODHAACMCYRPXDM-RQZCQDPDSA-N 0 0 348.428 2.254 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000283312 462551987 /nfs/dbraw/zinc/55/19/87/462551987.db2.gz DYSKBOCYGXONHA-HNNXBMFYSA-N 0 0 339.307 2.479 50 30 EEEARN COc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000000442059 462563111 /nfs/dbraw/zinc/56/31/11/462563111.db2.gz UAJYPBXQBLFJLK-CXUHLZMHSA-N 0 0 340.788 2.367 50 30 EEEARN Cc1cccn2c(=O)c(/C=N/CCO)c(NCc3ccccc3)nc12 ZINC000002250583 462591889 /nfs/dbraw/zinc/59/18/89/462591889.db2.gz RKLJJLLJFJWUQK-DEDYPNTBSA-N 0 0 336.395 2.026 50 30 EEEARN C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000002851516 462605863 /nfs/dbraw/zinc/60/58/63/462605863.db2.gz RISCQYKYVBKSDR-LBPRGKRZSA-N 0 0 342.848 2.043 50 30 EEEARN C=CCOC(=O)[C@@]12C[C@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O ZINC000004114258 462628074 /nfs/dbraw/zinc/62/80/74/462628074.db2.gz OXEJIIKLRXTAFZ-FHLIZLRMSA-N 0 0 330.336 2.130 50 30 EEEARN CCOc1cc(/C=N/n2cnnc2)cc(Br)c1OC ZINC000005336078 462656183 /nfs/dbraw/zinc/65/61/83/462656183.db2.gz FUZBPOIBOMAXFZ-OMCISZLKSA-N 0 0 325.166 2.330 50 30 EEEARN CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C ZINC000005377227 462657422 /nfs/dbraw/zinc/65/74/22/462657422.db2.gz UMTFUYSOVJKKDE-JJLJGCLUSA-N 0 0 338.454 2.006 50 30 EEEARN CCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 ZINC000006938371 462712727 /nfs/dbraw/zinc/71/27/27/462712727.db2.gz SCLZIXIGAMFKOQ-ZDUSSCGKSA-N 0 0 343.408 2.183 50 30 EEEARN CCOC(=O)C1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000007386342 462734025 /nfs/dbraw/zinc/73/40/25/462734025.db2.gz DZBOBVWYQFRUEW-CYBMUJFWSA-N 0 0 329.400 2.160 50 30 EEEARN CC/N=C1\S[C@H](C(=O)Nc2cccc(OC)c2)CC(=O)N1CC ZINC000008618418 462790887 /nfs/dbraw/zinc/79/08/87/462790887.db2.gz ZEMYLZUWVMPUDA-WPCFGXOUSA-N 0 0 335.429 2.364 50 30 EEEARN Cc1nc(C2=C(N)N(c3ccc4c(c3)OCCO4)CC2=O)sc1C ZINC000013723279 462902128 /nfs/dbraw/zinc/90/21/28/462902128.db2.gz XZZUIXHXWHFWJB-UHFFFAOYSA-N 0 0 343.408 2.248 50 30 EEEARN COC(=O)c1sc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C#N)c1C ZINC000017067675 462993929 /nfs/dbraw/zinc/99/39/29/462993929.db2.gz KUKOXFGXHCJLLG-UWVGGRQHSA-N 0 0 330.365 2.170 50 30 EEEARN CC(C)Cn1nc(CC(=O)Nc2nc[nH]n2)c2ccccc2c1=O ZINC000095472853 463092260 /nfs/dbraw/zinc/09/22/60/463092260.db2.gz QSIJOQBWLQNJKV-UHFFFAOYSA-N 0 0 326.360 2.001 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000025225844 463114673 /nfs/dbraw/zinc/11/46/73/463114673.db2.gz DBIJSVXEBDNDDV-UHFFFAOYSA-N 0 0 337.354 2.296 50 30 EEEARN CCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C#N)cc3)n2)cc1 ZINC000026779698 463172539 /nfs/dbraw/zinc/17/25/39/463172539.db2.gz MJBLIBKGOILUQW-UHFFFAOYSA-N 0 0 348.366 2.249 50 30 EEEARN N#Cc1c(F)cccc1N1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000029588784 463262895 /nfs/dbraw/zinc/26/28/95/463262895.db2.gz SSRMCSIRBYFJOH-UHFFFAOYSA-N 0 0 332.770 2.050 50 30 EEEARN COc1ccc(Cl)cc1C(=O)NCCNc1ncccc1C#N ZINC000032932394 463403339 /nfs/dbraw/zinc/40/33/39/463403339.db2.gz TZMNEHUEHXVKIX-UHFFFAOYSA-N 0 0 330.775 2.457 50 30 EEEARN C=CCOc1ccc(C=C2NC(C)=C(C(=O)OC)C2=O)cc1OC ZINC000004094624 519013305 /nfs/dbraw/zinc/01/33/05/519013305.db2.gz JGWVDYRVCVFDNB-UKTHLTGXSA-N 0 0 329.352 2.220 50 30 EEEARN C=CCn1c(SCC(=O)NCCOC)nnc1-c1cccc(C)c1 ZINC000005885332 519205467 /nfs/dbraw/zinc/20/54/67/519205467.db2.gz MJFMJYIHJYLEQU-UHFFFAOYSA-N 0 0 346.456 2.294 50 30 EEEARN CCOc1ncccc1C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000021128685 521610202 /nfs/dbraw/zinc/61/02/02/521610202.db2.gz RKLRDGUDFFSPCC-UHFFFAOYSA-N 0 0 348.428 2.405 50 30 EEEARN N#CC1(c2nc(-c3ccncc3)nn2CC(F)(F)F)CCOCC1 ZINC000096136128 1215727732 /nfs/dbraw/zinc/72/77/32/1215727732.db2.gz ZWDAFWJYSBCTDJ-UHFFFAOYSA-N 0 0 337.305 2.474 50 30 EEEARN C=C(C)C(=O)O[C@H]1CC2=C[C@@H](CC(C)=C[C@H]3OC(=O)C(=C)[C@H]31)OC2=O ZINC000254132121 1405725654 /nfs/dbraw/zinc/72/56/54/1405725654.db2.gz JMUOPRSXUVOHFE-LVQVYYBASA-N 0 0 344.363 2.164 50 30 EEEARN Cn1ccnc1SCCNC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000952966546 796073281 /nfs/dbraw/zinc/07/32/81/796073281.db2.gz IEJYCAGYHDIYKW-UHFFFAOYSA-N 0 0 343.452 2.065 50 30 EEEARN N#Cc1cc(F)cc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000826768252 800422796 /nfs/dbraw/zinc/42/27/96/800422796.db2.gz SCKIGJQIRYHFSC-CYBMUJFWSA-N 0 0 329.375 2.218 50 30 EEEARN C=CCNC(=S)NCCCCCCCNC(=S)NCC=C ZINC000004180527 210139784 /nfs/dbraw/zinc/13/97/84/210139784.db2.gz HGXXYJRAENHYLH-UHFFFAOYSA-N 0 0 328.551 2.237 50 30 EEEARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccc(C#N)cc2)[C@H]1C ZINC000102241818 219192290 /nfs/dbraw/zinc/19/22/90/219192290.db2.gz AUBMZDATDBAYQC-KEYYUXOJSA-N 0 0 344.411 2.421 50 30 EEEARN CCCCN/C(C)=C1\C(=O)C(=O)N(CCOC)[C@@H]1c1ccccc1 ZINC000100224854 282793221 /nfs/dbraw/zinc/79/32/21/282793221.db2.gz NBPYTPMJSGEPDO-YHKKIHSWSA-N 0 0 330.428 2.449 50 30 EEEARN Cc1nnc([C@@]23COC[C@@H]2CN(c2ccc(C#N)c(Cl)c2)C3)o1 ZINC000685942514 539990415 /nfs/dbraw/zinc/99/04/15/539990415.db2.gz RTSXBBZZCYNGBI-LRDDRELGSA-N 0 0 330.775 2.308 50 30 EEEARN CCOC(=O)c1nn(-c2cccc(Br)c2)c(N)c1C#N ZINC000038537294 213214069 /nfs/dbraw/zinc/21/40/69/213214069.db2.gz SPNROCVJFAVRHA-UHFFFAOYSA-N 0 0 335.161 2.265 50 30 EEEARN C=CCn1c(C(=O)NCCC)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561450 213037801 /nfs/dbraw/zinc/03/78/01/213037801.db2.gz BLJDJDNISRMOOE-UHFFFAOYSA-N 0 0 349.456 2.217 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)Nc2cccs2)CC1 ZINC000206608365 241044660 /nfs/dbraw/zinc/04/46/60/241044660.db2.gz XLLUCBRYSUHRON-UHFFFAOYSA-N 0 0 342.428 2.448 50 30 EEEARN C=CCNC(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000021882487 212258236 /nfs/dbraw/zinc/25/82/36/212258236.db2.gz PIYVJWDRGYSVLJ-UHFFFAOYSA-N 0 0 331.441 2.488 50 30 EEEARN N#Cc1ccccc1-c1ccc(CN2CC[NH+](CCC(=O)[O-])CC2)o1 ZINC000244742062 243073298 /nfs/dbraw/zinc/07/32/98/243073298.db2.gz OBFXKZBPABIMAC-UHFFFAOYSA-N 0 0 339.395 2.411 50 30 EEEARN CCn1ccnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000091645754 218038565 /nfs/dbraw/zinc/03/85/65/218038565.db2.gz MBJXLJYJONMEKA-HNNXBMFYSA-N 0 0 344.440 2.343 50 30 EEEARN CNC(=O)NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000010399412 211169852 /nfs/dbraw/zinc/16/98/52/211169852.db2.gz PIGMBIHZJNSSOE-ZETCQYMHSA-N 0 0 346.334 2.217 50 30 EEEARN C[C@H](NC(=O)COCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000009833629 211126576 /nfs/dbraw/zinc/12/65/76/211126576.db2.gz BGWQXYPZTWKCGH-AWEZNQCLSA-N 0 0 337.379 2.391 50 30 EEEARN CC[N-]C(=S)[NH+]=C(NCc1cccnc1)Nc1nc(C)cc(C)n1 ZINC000008757312 211001451 /nfs/dbraw/zinc/00/14/51/211001451.db2.gz YFYITDQGYDJPPU-UHFFFAOYSA-N 0 0 343.460 2.352 50 30 EEEARN N#Cc1ccsc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000007606937 210818803 /nfs/dbraw/zinc/81/88/03/210818803.db2.gz ZQRJFLHOXFTWRJ-UHFFFAOYSA-N 0 0 328.332 2.051 50 30 EEEARN COc1cccc(-n2c(N)c(C#N)c3c(c2=O)COC(C)(C)C3)c1 ZINC000006759858 277451422 /nfs/dbraw/zinc/45/14/22/277451422.db2.gz ADQFZBZQVPQBKB-UHFFFAOYSA-N 0 0 325.368 2.151 50 30 EEEARN Cc1cccn2c1nc1c(cc(C#N)c(=O)n1Cc1ccccc1)c2=O ZINC000005152694 281404273 /nfs/dbraw/zinc/40/42/73/281404273.db2.gz HDXJHBNRYFUHOU-UHFFFAOYSA-N 0 0 342.358 2.238 50 30 EEEARN Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCCC2)cc1 ZINC000016739865 301658058 /nfs/dbraw/zinc/65/80/58/301658058.db2.gz BFTBKOAKYFFPBW-ISLYRVAYSA-N 0 0 335.473 2.274 50 30 EEEARN COc1cc([C@H](c2c(C)[nH][nH]c2=O)C(C#N)C#N)cc(OC)c1OC ZINC000000076300 462541471 /nfs/dbraw/zinc/54/14/71/462541471.db2.gz YVDMFAPZHWFUEE-HNNXBMFYSA-N 0 0 342.355 2.245 50 30 EEEARN N#Cc1c2ncn(CC(=O)c3ccccc3)c(=O)c2n2c1CCCC2 ZINC000000296504 462553922 /nfs/dbraw/zinc/55/39/22/462553922.db2.gz KMNJDNGYHBOEOH-UHFFFAOYSA-N 0 0 332.363 2.289 50 30 EEEARN N#Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000000553386 462570606 /nfs/dbraw/zinc/57/06/06/462570606.db2.gz AYQJOSYJFFLTJG-UHFFFAOYSA-N 0 0 336.380 2.265 50 30 EEEARN C=CCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000001302085 462578705 /nfs/dbraw/zinc/57/87/05/462578705.db2.gz RFETVMLQILOEQN-LCYFTJDESA-N 0 0 325.393 2.402 50 30 EEEARN C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1C1CCCCC1 ZINC000002620448 462596757 /nfs/dbraw/zinc/59/67/57/462596757.db2.gz YJXYVVWMTNFYND-JTQLQIEISA-N 0 0 337.449 2.187 50 30 EEEARN CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000002636473 462597935 /nfs/dbraw/zinc/59/79/35/462597935.db2.gz JNQXEGSSBPCRDK-UHFFFAOYSA-N 0 0 327.365 2.471 50 30 EEEARN C=CCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c1C ZINC000007534683 462740307 /nfs/dbraw/zinc/74/03/07/462740307.db2.gz VDBDAKDRIXAWEK-UHFFFAOYSA-N 0 0 340.339 2.115 50 30 EEEARN CCOC(=O)CC(C#N)(CC(=O)OCC)c1nc2ccccc2n1C ZINC000012560505 462857215 /nfs/dbraw/zinc/85/72/15/462857215.db2.gz UWBGVZWPGIHILN-UHFFFAOYSA-N 0 0 343.383 2.241 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000016043919 462969091 /nfs/dbraw/zinc/96/90/91/462969091.db2.gz QYJKIMMAXAPBGR-VXGBXAGGSA-N 0 0 331.397 2.124 50 30 EEEARN COC(=O)c1ccc(OCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000016655066 462987733 /nfs/dbraw/zinc/98/77/33/462987733.db2.gz CFLSEWDMJLJHTD-UHFFFAOYSA-N 0 0 346.364 2.432 50 30 EEEARN CCOc1cccc(/C=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000017072524 462994474 /nfs/dbraw/zinc/99/44/74/462994474.db2.gz UCVSOOJAXBQXMC-LFIBNONCSA-N 0 0 349.368 2.306 50 30 EEEARN COc1ccc(C[C@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1 ZINC000018209341 463009949 /nfs/dbraw/zinc/00/99/49/463009949.db2.gz RGZLHGFMIXGYRG-NGWPFTMJSA-N 0 0 329.381 2.452 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000097200500 463345275 /nfs/dbraw/zinc/34/52/75/463345275.db2.gz IJVNJXWECZLJKB-CYBMUJFWSA-N 0 0 341.440 2.387 50 30 EEEARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/NC(N)=S ZINC000100096714 463371933 /nfs/dbraw/zinc/37/19/33/463371933.db2.gz RVNKWJJYDMZLDM-CPNJWEJPSA-N 0 0 328.441 2.328 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C ZINC000100737539 463374631 /nfs/dbraw/zinc/37/46/31/463374631.db2.gz TWUFVOIVSIRBNQ-UQTJOTSZSA-N 0 0 346.339 2.248 50 30 EEEARN COC(=O)c1ccc(C=CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000102771142 463391368 /nfs/dbraw/zinc/39/13/68/463391368.db2.gz KHKUZNBXTPZGTO-XMELGKRDSA-N 0 0 349.346 2.229 50 30 EEEARN C[C@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1 ZINC000071416282 463416829 /nfs/dbraw/zinc/41/68/29/463416829.db2.gz MHTROKZSNAOLJN-NSHDSACASA-N 0 0 336.395 2.191 50 30 EEEARN C=CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C ZINC000033285502 463420471 /nfs/dbraw/zinc/42/04/71/463420471.db2.gz GNNOSAVQILSUQP-RVDMUPIBSA-N 0 0 341.363 2.332 50 30 EEEARN Cc1nn(C)c(C)c1CN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000105865788 463481646 /nfs/dbraw/zinc/48/16/46/463481646.db2.gz SHJVMYBPZQODGM-UHFFFAOYSA-N 0 0 341.434 2.366 50 30 EEEARN C#CCNC(=O)[C@@H](C)Nc1cnn(-c2ccccc2Br)c1 ZINC000126513588 463644086 /nfs/dbraw/zinc/64/40/86/463644086.db2.gz DCRHTETYQPPUTJ-LLVKDONJSA-N 0 0 347.216 2.185 50 30 EEEARN CC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(C)[nH]c(=O)c(C#N)c2C[C@]1(C)O ZINC000238900790 464440300 /nfs/dbraw/zinc/44/03/00/464440300.db2.gz JZGZUQUVLQAEMQ-SCTDSRPQSA-N 0 0 337.379 2.007 50 30 EEEARN C=C(C)COc1ccccc1NC(=O)N(CCO)Cc1nccn1C ZINC000299780811 465885423 /nfs/dbraw/zinc/88/54/23/465885423.db2.gz BKMZPYQNQVNLSS-UHFFFAOYSA-N 0 0 344.415 2.401 50 30 EEEARN O=C1CN(Cc2ccc(C#CCO)cc2)CCN1C1CCCCC1 ZINC000670453861 485649141 /nfs/dbraw/zinc/64/91/41/485649141.db2.gz UMIVDYKOJIFNAP-UHFFFAOYSA-N 0 0 326.440 2.007 50 30 EEEARN CCOCCOC(=NC(=O)c1ccc(C)cc1)NC[C@H]1CCCO1 ZINC000004874725 519971953 /nfs/dbraw/zinc/97/19/53/519971953.db2.gz JABWFUUGTJRXFM-MRXNPFEDSA-N 0 0 334.416 2.313 50 30 EEEARN CN(C)C(=O)COc1ccccc1C(=O)OCc1cccc(C#N)c1 ZINC000017835985 523997107 /nfs/dbraw/zinc/99/71/07/523997107.db2.gz CBKOYAOINUQZAJ-UHFFFAOYSA-N 0 0 338.363 2.382 50 30 EEEARN Cc1ncnc(C)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001529103873 1121316593 /nfs/dbraw/zinc/31/65/93/1121316593.db2.gz GYEMBDNMUCMQFA-UHFFFAOYSA-N 0 0 349.438 2.313 50 30 EEEARN N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000004662629 210240001 /nfs/dbraw/zinc/24/00/01/210240001.db2.gz NAQOMYVBHRFVLX-UHFFFAOYSA-N 0 0 331.401 2.066 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)o1 ZINC000065430824 214906923 /nfs/dbraw/zinc/90/69/23/214906923.db2.gz VDIKSVPQXUHMNH-GOSISDBHSA-N 0 0 339.391 2.446 50 30 EEEARN C=CCn1ncc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)c1C ZINC000067513647 215156096 /nfs/dbraw/zinc/15/60/96/215156096.db2.gz USAFHHRBUKRIGS-QGZVFWFLSA-N 0 0 328.391 2.190 50 30 EEEARN N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccc(F)cc2)c1=O ZINC000005152746 283115178 /nfs/dbraw/zinc/11/51/78/283115178.db2.gz OXMZBDAITGAILR-UHFFFAOYSA-N 0 0 332.294 2.009 50 30 EEEARN Cc1ccc(C(=O)NCC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC000036714243 213113908 /nfs/dbraw/zinc/11/39/08/213113908.db2.gz BJWCVERMMISFCC-UHFFFAOYSA-N 0 0 327.266 2.150 50 30 EEEARN C=CCN(CC(=O)c1c(C)c(C(=O)OCC)n(C)c1C)C(=O)CC ZINC000036000614 213054187 /nfs/dbraw/zinc/05/41/87/213054187.db2.gz JJSMXESLTJQYHI-UHFFFAOYSA-N 0 0 334.416 2.426 50 30 EEEARN COC(=O)c1cc(C#N)c(N[C@H]2CC(=O)N(CC(C)(C)C)C2)nc1C ZINC000072163266 216052310 /nfs/dbraw/zinc/05/23/10/216052310.db2.gz KVOUJTVVTNSTML-ZDUSSCGKSA-N 0 0 344.415 2.107 50 30 EEEARN O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)NO ZINC000072317457 216148347 /nfs/dbraw/zinc/14/83/47/216148347.db2.gz NBHWQUHEYOFBKG-VQHVLOKHSA-N 0 0 342.376 2.397 50 30 in-vitro EEEARN CCCn1nc(C(=O)Oc2c(Cl)cc(C#N)cc2OC)ccc1=O ZINC000024042886 212404859 /nfs/dbraw/zinc/40/48/59/212404859.db2.gz UBKZCAZVMNNHPY-UHFFFAOYSA-N 0 0 347.758 2.406 50 30 EEEARN N#Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000023249151 212363718 /nfs/dbraw/zinc/36/37/18/212363718.db2.gz RGCQWMSTGCDGSZ-UHFFFAOYSA-N 0 0 334.423 2.315 50 30 EEEARN CC(C)c1noc(CN2CC(=O)N(c3ccccc3C#N)C[C@H]2C)n1 ZINC000426628231 241318808 /nfs/dbraw/zinc/31/88/08/241318808.db2.gz KUPWXUWUZCHSBD-CYBMUJFWSA-N 0 0 339.399 2.302 50 30 EEEARN N#Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cn1 ZINC000220293335 241436704 /nfs/dbraw/zinc/43/67/04/241436704.db2.gz QTRRLGXXJHMTPZ-IAGOWNOFSA-N 0 0 341.342 2.059 50 30 EEEARN NC(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000020421092 212127747 /nfs/dbraw/zinc/12/77/47/212127747.db2.gz YDIHYIDSPMEZDP-UHFFFAOYSA-N 0 0 330.196 2.483 50 30 EEEARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccccc1C#N ZINC000014200306 211710566 /nfs/dbraw/zinc/71/05/66/211710566.db2.gz DYPBOGDMHGCGML-ZHACJKMWSA-N 0 0 344.374 2.467 50 30 EEEARN N#Cc1cccc(-c2cn(CCc3nc4ccccc4c(=O)[nH]3)nn2)c1 ZINC000091645264 218038859 /nfs/dbraw/zinc/03/88/59/218038859.db2.gz CAMUGNKGLSLQJN-UHFFFAOYSA-N 0 0 342.362 2.296 50 30 EEEARN C[C@H](Sc1ncnc2c1cnn2C)C(=O)NC1(C#N)CCCCC1 ZINC000011681691 211233744 /nfs/dbraw/zinc/23/37/44/211233744.db2.gz ATJBURQSWJHCOX-NSHDSACASA-N 0 0 344.444 2.187 50 30 EEEARN C=CCNC(=O)NC(=O)COc1ccc(C)cc1Br ZINC000009388622 211079565 /nfs/dbraw/zinc/07/95/65/211079565.db2.gz OSVJYAUYWLRSDQ-UHFFFAOYSA-N 0 0 327.178 2.148 50 30 EEEARN COc1ccc(F)cc1CN1CCN(c2ncccc2C#N)CC1 ZINC000008924313 211018684 /nfs/dbraw/zinc/01/86/84/211018684.db2.gz QWLVSQNSEPZUFC-UHFFFAOYSA-N 0 0 326.375 2.423 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1F)CC(=O)N2 ZINC000004944213 210334677 /nfs/dbraw/zinc/33/46/77/210334677.db2.gz KNMNRFLYYQUELH-JTQLQIEISA-N 0 0 329.356 2.108 50 30 EEEARN C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C1CC1 ZINC000006699317 258044787 /nfs/dbraw/zinc/04/47/87/258044787.db2.gz HRJDPPRCZDUMBW-UHFFFAOYSA-N 0 0 336.446 2.232 50 30 EEEARN C=CCn1cnnc1S[C@H](C(=O)NC(=O)NCC)c1ccccc1 ZINC000006609541 258044984 /nfs/dbraw/zinc/04/49/84/258044984.db2.gz FZIPWCVOEDRPPT-ZDUSSCGKSA-N 0 0 345.428 2.143 50 30 EEEARN CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1cccnc1 ZINC000005091688 276934182 /nfs/dbraw/zinc/93/41/82/276934182.db2.gz URQRCYXRHPIACU-NSHDSACASA-N 0 0 328.397 2.245 50 30 EEEARN Cc1cc(N[C@H]2CCS(=O)(=O)C2)n2c3ccccc3nc2c1C#N ZINC000012520087 278735348 /nfs/dbraw/zinc/73/53/48/278735348.db2.gz OSQJUBHXZWIHRW-LBPRGKRZSA-N 0 0 340.408 2.267 50 30 EEEARN COc1cc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC ZINC000001431773 295008118 /nfs/dbraw/zinc/00/81/18/295008118.db2.gz VKBLFFCIGJYTJQ-NSHDSACASA-N 0 0 331.368 2.323 50 30 EEEARN Cc1ccc(S(=O)(=O)OC[C@H](C)[C@H]2CS(=O)(=O)C2(C)C)cc1 ZINC000001721839 301698571 /nfs/dbraw/zinc/69/85/71/301698571.db2.gz JIOPURBIBVJCGQ-GXTWGEPZSA-N 0 0 346.470 2.160 50 30 EEEARN O=S1(=O)C[C@@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@H]2C1 ZINC000334158181 304812888 /nfs/dbraw/zinc/81/28/88/304812888.db2.gz WACGEWALAZOZOJ-CBAPKCEASA-P 0 0 338.261 2.411 50 30 EEEARN C=CCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc21 ZINC000002371385 462593147 /nfs/dbraw/zinc/59/31/47/462593147.db2.gz YDVHBCUNAYTLEX-UHFFFAOYSA-N 0 0 326.356 2.156 50 30 EEEARN CCCNC(=O)c1c(/N=C/c2ccc(O)c(OCC)c2)cnn1C ZINC000002798470 462603625 /nfs/dbraw/zinc/60/36/25/462603625.db2.gz YEOALYXWCQXEJJ-VXLYETTFSA-N 0 0 330.388 2.415 50 30 EEEARN Cc1ccc(C)c(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c1 ZINC000005092639 462645335 /nfs/dbraw/zinc/64/53/35/462645335.db2.gz BAXKWRKJJUBXDM-UHFFFAOYSA-N 0 0 346.390 2.257 50 30 EEEARN O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000005757324 462668258 /nfs/dbraw/zinc/66/82/58/462668258.db2.gz XPDGEVVGQUOSHM-GFCCVEGCSA-N 0 0 328.353 2.452 50 30 EEEARN Cc1nc2ncnn2c(C)c1CCC(=O)OCc1ccc(C#N)cc1 ZINC000006083395 462675866 /nfs/dbraw/zinc/67/58/66/462675866.db2.gz RHVRCKXBIVUIQU-UHFFFAOYSA-N 0 0 335.367 2.289 50 30 EEEARN O=C(/C=C/c1ccc(I)o1)c1cccc[n+]1[O-] ZINC000006884257 462710764 /nfs/dbraw/zinc/71/07/64/462710764.db2.gz LHNCUBBAJSDTRV-GQCTYLIASA-N 0 0 341.104 2.414 50 30 EEEARN CSc1nc2n(n1)[C@H](c1cn(C)nc1C)C1C(=O)CCCC1=N2 ZINC000006921557 462712745 /nfs/dbraw/zinc/71/27/45/462712745.db2.gz MDTGNJAHFUMBRW-CYBMUJFWSA-N 0 0 330.417 2.064 50 30 EEEARN COc1cc(OC)c(C(=O)ONC(=N)c2ccccc2)cc1OC ZINC000008576455 462789504 /nfs/dbraw/zinc/78/95/04/462789504.db2.gz VJSFPIYLMANHSG-UHFFFAOYSA-N 0 0 330.340 2.190 50 30 biogenic EEEARN C=CCN1C(=O)S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000013496557 462894103 /nfs/dbraw/zinc/89/41/03/462894103.db2.gz BNSGMEWVMFPKAK-LCYFTJDESA-N 0 0 329.381 2.099 50 30 EEEARN C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000014165064 462915696 /nfs/dbraw/zinc/91/56/96/462915696.db2.gz VOYIRFMQNLPORH-AWEZNQCLSA-N 0 0 347.378 2.395 50 30 EEEARN C=CCN1C(=O)S/C(=C\c2ccccc2OCC(=O)OC)C1=O ZINC000015010926 462938347 /nfs/dbraw/zinc/93/83/47/462938347.db2.gz CHJXJHAFJSVRDO-LCYFTJDESA-N 0 0 333.365 2.461 50 30 EEEARN O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000017029078 462992869 /nfs/dbraw/zinc/99/28/69/462992869.db2.gz LMJBHZBMYXJLOG-GIJQJNRQSA-N 0 0 349.306 2.374 50 30 EEEARN CCn1nccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SC)nn21 ZINC000020607191 463028367 /nfs/dbraw/zinc/02/83/67/463028367.db2.gz STJIVPPXXCPLAL-CYBMUJFWSA-N 0 0 330.417 2.238 50 30 EEEARN N#Cc1ccnc(N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1 ZINC000095497339 463094773 /nfs/dbraw/zinc/09/47/73/463094773.db2.gz CHKZYNMSRHOOIN-DZGCQCFKSA-N 0 0 339.424 2.037 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026758102 463171295 /nfs/dbraw/zinc/17/12/95/463171295.db2.gz PAYVJLZOUTZYLQ-UHFFFAOYSA-N 0 0 336.395 2.047 50 30 EEEARN C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1sccc1C#N ZINC000030009911 463284341 /nfs/dbraw/zinc/28/43/41/463284341.db2.gz MORMWYJFLVZICY-MRVPVSSYSA-N 0 0 327.369 2.228 50 30 EEEARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000104194638 463408818 /nfs/dbraw/zinc/40/88/18/463408818.db2.gz VXUXLNIIKDPYBX-GXRYYEORSA-N 0 0 335.429 2.094 50 30 EEEARN C#Cc1cccc(NC(=O)C(=O)N(CC)CCc2nccs2)c1 ZINC000124959058 463484260 /nfs/dbraw/zinc/48/42/60/463484260.db2.gz IWGKJHSRXZTOCG-UHFFFAOYSA-N 0 0 327.409 2.154 50 30 EEEARN C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC)nc2c1=O ZINC000072432100 463511894 /nfs/dbraw/zinc/51/18/94/463511894.db2.gz BQGAAPRBALEAQF-UHFFFAOYSA-N 0 0 342.786 2.362 50 30 EEEARN C=C(C)CNC(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 ZINC000014981339 518607071 /nfs/dbraw/zinc/60/70/71/518607071.db2.gz BURWVTFKJVYVOE-UHFFFAOYSA-N 0 0 346.427 2.391 50 30 EEEARN C=CCOc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000012698450 519032430 /nfs/dbraw/zinc/03/24/30/519032430.db2.gz RRTMTEPHIBBOFC-ZDUSSCGKSA-N 0 0 342.447 2.278 50 30 EEEARN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(O)c1 ZINC000022123528 523771879 /nfs/dbraw/zinc/77/18/79/523771879.db2.gz FTBXUMDEZMVEEK-APPDUMDISA-N 0 0 334.372 2.001 50 30 EEEARN O=C(Cc1sc(NN=Cc2ccco2)nc1O)Nc1ccccc1 ZINC000016810533 527146257 /nfs/dbraw/zinc/14/62/57/527146257.db2.gz FLIYDQCLZJPTMV-NWRYFCBHSA-N 0 0 342.380 2.230 50 30 EEEARN C=CCN1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000952961040 796077404 /nfs/dbraw/zinc/07/74/04/796077404.db2.gz BGHGUFAVZYLBON-CQSZACIVSA-N 0 0 341.411 2.095 50 30 EEEARN C=CCOc1c(Cl)cc(C(=O)NCCNC(C)=O)cc1Cl ZINC000055308607 214305357 /nfs/dbraw/zinc/30/53/57/214305357.db2.gz WGJYWAJJDRQUJE-UHFFFAOYSA-N 0 0 331.199 2.424 50 30 EEEARN CCOC(=O)C1=NO[C@@H](COc2ccc(Cl)cc2/C=N\O)C1 ZINC000100916960 219111150 /nfs/dbraw/zinc/11/11/50/219111150.db2.gz YBEXMVBQSQLANY-CRZGJZTJSA-N 0 0 326.736 2.235 50 30 EEEARN Cc1ccc(S(=O)(=O)O[C@H]2C[C@H](n3cnc([N+](=O)[O-])c3)C2)cc1 ZINC000101003759 219113760 /nfs/dbraw/zinc/11/37/60/219113760.db2.gz IHKFZLVXBRHARG-TXEJJXNPSA-N 0 0 337.357 2.209 50 30 EEEARN COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccccc1 ZINC000004372722 210181473 /nfs/dbraw/zinc/18/14/73/210181473.db2.gz MMHXUOAOLIOFFQ-VCHYOVAHSA-N 0 0 329.381 2.082 50 30 EEEARN COc1ncc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1C#N ZINC000685944845 539991435 /nfs/dbraw/zinc/99/14/35/539991435.db2.gz CRQLDIKGOWWSMO-UHFFFAOYSA-N 0 0 334.376 2.205 50 30 EEEARN CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000032936847 212878868 /nfs/dbraw/zinc/87/88/68/212878868.db2.gz OFEFWZUGXRYEBS-UHFFFAOYSA-N 0 0 349.456 2.018 50 30 EEEARN Cc1oc(NC(=O)CN2CCC[C@@H](c3cc[nH]n3)C2)c(C#N)c1C ZINC000072270657 216092878 /nfs/dbraw/zinc/09/28/78/216092878.db2.gz BKCALXKWRZMMSJ-CYBMUJFWSA-N 0 0 327.388 2.309 50 30 EEEARN CC(C)c1noc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 ZINC000029228914 212658364 /nfs/dbraw/zinc/65/83/64/212658364.db2.gz NMVQDUUDYSDPLG-UHFFFAOYSA-N 0 0 342.403 2.252 50 30 EEEARN CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C#N)n[nH]1 ZINC000022830358 212326309 /nfs/dbraw/zinc/32/63/09/212326309.db2.gz BVDYDIOLPRAMHS-VIFPVBQESA-N 0 0 332.385 2.479 50 30 EEEARN N#Cc1c(COC(=O)c2ccc(CNC(N)=O)cc2)cn2ccccc12 ZINC000022416203 212297110 /nfs/dbraw/zinc/29/71/10/212297110.db2.gz UKTSTBDYRQAONM-UHFFFAOYSA-N 0 0 348.362 2.336 50 30 EEEARN Cc1nc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2o1 ZINC000215249475 241114383 /nfs/dbraw/zinc/11/43/83/241114383.db2.gz ZHLQBQVHDHSRGO-UHFFFAOYSA-N 0 0 347.378 2.365 50 30 EEEARN C=CCN1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000426474109 241295335 /nfs/dbraw/zinc/29/53/35/241295335.db2.gz FUIYTKVQPXRNJA-GOSISDBHSA-N 0 0 339.443 2.138 50 30 EEEARN N#Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cn1 ZINC000218183135 241304292 /nfs/dbraw/zinc/30/42/92/241304292.db2.gz JAQFGDAMCPZEBV-QZTJIDSGSA-N 0 0 337.379 2.057 50 30 EEEARN Cc1ccc(S(=O)(=O)OCCc2cccc3c2CC(=O)N3)cc1 ZINC000022005674 212270259 /nfs/dbraw/zinc/27/02/59/212270259.db2.gz OGFUVAXFYGBCAK-UHFFFAOYSA-N 0 0 331.393 2.438 50 30 in-vitro EEEARN C=CCNC(=O)[C@H](C)Oc1nn(C)c2ccc(Br)cc12 ZINC000226754825 242115871 /nfs/dbraw/zinc/11/58/71/242115871.db2.gz PQPDCFHRBNLPKG-VIFPVBQESA-N 0 0 338.205 2.405 50 30 EEEARN Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2ccncc2)n1 ZINC000085558599 217677254 /nfs/dbraw/zinc/67/72/54/217677254.db2.gz BHIFDXGZFVRYRD-UHFFFAOYSA-N 0 0 345.362 2.124 50 30 EEEARN Cc1nc2ccc(OCC#N)cc2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000012389649 211366310 /nfs/dbraw/zinc/36/63/10/211366310.db2.gz GNHSLMOOFBCPPF-UHFFFAOYSA-N 0 0 335.319 2.325 50 30 EEEARN N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000011229099 211208159 /nfs/dbraw/zinc/20/81/59/211208159.db2.gz OXFTZXXNDCXDIQ-UHFFFAOYSA-N 0 0 341.392 2.251 50 30 EEEARN O=C1CC(CC(Nc2ccccc2)=C2C(=O)CCCC2=O)CC(=O)N1 ZINC000005857245 210548225 /nfs/dbraw/zinc/54/82/25/210548225.db2.gz FYXMGKQMIWLKAW-UHFFFAOYSA-N 0 0 340.379 2.118 50 30 EEEARN CCn1ncc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)c1C ZINC000020607889 288758994 /nfs/dbraw/zinc/75/89/94/288758994.db2.gz VXGXOORHXWQZJY-OAHLLOKOSA-N 0 0 326.404 2.461 50 30 EEEARN N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)NC2=O)cc1 ZINC000000378300 462557080 /nfs/dbraw/zinc/55/70/80/462557080.db2.gz SXECLVTZQWRRGS-CXUHLZMHSA-N 0 0 335.388 2.482 50 30 EEEARN CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C(N)=O)c2=O)cc1 ZINC000000206307 462548171 /nfs/dbraw/zinc/54/81/71/462548171.db2.gz IYSSQKZADQPCQW-CIAFOILYSA-N 0 0 340.427 2.292 50 30 EEEARN Cc1cc[n+](CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002700442 462599708 /nfs/dbraw/zinc/59/97/08/462599708.db2.gz HDORORZLSXUYKL-UHFFFAOYSA-O 0 0 325.797 2.281 50 30 EEEARN N#CCn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000002657854 462599893 /nfs/dbraw/zinc/59/98/93/462599893.db2.gz JDUPELCTGSABPS-UHFFFAOYSA-N 0 0 328.441 2.456 50 30 EEEARN COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1OC ZINC000003474597 462620130 /nfs/dbraw/zinc/62/01/30/462620130.db2.gz CAPFCZZATCFIQP-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN Cc1cc(C)n2nc(SCC(=O)NC3(C#N)CCCCC3)nc2n1 ZINC000004523686 462633730 /nfs/dbraw/zinc/63/37/30/462633730.db2.gz IXVMJNJUDSIDGK-UHFFFAOYSA-N 0 0 344.444 2.176 50 30 EEEARN CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000005342412 462656598 /nfs/dbraw/zinc/65/65/98/462656598.db2.gz LBDWQOGLKVUGDZ-UBQVSUSGSA-N 0 0 338.454 2.088 50 30 EEEARN COc1cccc(CC(=O)NCC#CCN2CCc3ccccc3C2)c1 ZINC000075165035 462690076 /nfs/dbraw/zinc/69/00/76/462690076.db2.gz VWFIUMQNKQJHRK-UHFFFAOYSA-N 0 0 348.446 2.416 50 30 EEEARN C[C@H]1Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2NC1=O ZINC000008014376 462762705 /nfs/dbraw/zinc/76/27/05/462762705.db2.gz RVGSPBZZAGZQNC-LLVKDONJSA-N 0 0 337.335 2.295 50 30 EEEARN C=CCOc1ccc(C(=O)N2CCOCC2)cc1Br ZINC000008722969 462793607 /nfs/dbraw/zinc/79/36/07/462793607.db2.gz LEUJRABXABZXPU-UHFFFAOYSA-N 0 0 326.190 2.486 50 30 EEEARN C=CCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012589333 462858139 /nfs/dbraw/zinc/85/81/39/462858139.db2.gz RHQWURNGSVCTTK-GFCCVEGCSA-N 0 0 326.318 2.499 50 30 EEEARN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=S)Nc1ccccc1 ZINC000015773575 462961951 /nfs/dbraw/zinc/96/19/51/462961951.db2.gz AXGFKEGXFBHFJS-UHFFFAOYSA-N 0 0 341.352 2.238 50 30 EEEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000015981742 462968374 /nfs/dbraw/zinc/96/83/74/462968374.db2.gz IOVMPHYDAIBMHY-UHFFFAOYSA-N 0 0 347.330 2.195 50 30 EEEARN CC/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000017072523 462994716 /nfs/dbraw/zinc/99/47/16/462994716.db2.gz AVYOUWSUWYQHAU-PEZBUJJGSA-N 0 0 349.368 2.393 50 30 EEEARN C=CCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000067948039 463071941 /nfs/dbraw/zinc/07/19/41/463071941.db2.gz XFKXEYHUKZPZAR-HNNXBMFYSA-N 0 0 346.452 2.302 50 30 EEEARN N#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000027972101 463211215 /nfs/dbraw/zinc/21/12/15/463211215.db2.gz DYHMVWZNUUOEDN-UHFFFAOYSA-N 0 0 335.363 2.283 50 30 EEEARN CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1C#N ZINC000028037623 463213912 /nfs/dbraw/zinc/21/39/12/463213912.db2.gz CDQUSWDZQLTAIQ-UHFFFAOYSA-N 0 0 326.381 2.255 50 30 EEEARN COc1cccc(-c2nc(C#N)c(NC[C@@H](C)N3CCOCC3)o2)c1 ZINC000096346080 463235817 /nfs/dbraw/zinc/23/58/17/463235817.db2.gz IJMDZKFVKLEEHG-CYBMUJFWSA-N 0 0 342.399 2.354 50 30 EEEARN CCc1nnsc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000031400257 463339343 /nfs/dbraw/zinc/33/93/43/463339343.db2.gz CFMZAFVMIPIZPB-UHFFFAOYSA-N 0 0 345.403 2.074 50 30 EEEARN O=C(Cc1cccc2ccccc21)NCCNC(=O)C1N=CC=CC1=O ZINC000101043882 463376196 /nfs/dbraw/zinc/37/61/96/463376196.db2.gz CBQXOTRGTSMPAR-VXPUYCOJSA-N 0 0 349.390 2.025 50 30 EEEARN CC(=[NH+]C[C@H]1CCCO1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000101156819 463376892 /nfs/dbraw/zinc/37/68/92/463376892.db2.gz BHJRHDSYURHLFS-CLXYIWAZSA-N 0 0 344.371 2.370 50 30 EEEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000104055825 463407950 /nfs/dbraw/zinc/40/79/50/463407950.db2.gz TXPHNNMDLCPVCC-WFASDCNBSA-N 0 0 334.335 2.068 50 30 EEEARN C=CCc1cc(-c2nccn2C[C@@H]2COCCO2)cc(OC)c1O ZINC000071754381 463421980 /nfs/dbraw/zinc/42/19/80/463421980.db2.gz JFOFPAZLPKYMAL-OAHLLOKOSA-N 0 0 330.384 2.408 50 30 EEEARN CCOC(=O)c1cnc(S[C@@H](C#N)Cc2ccccc2)nc1N ZINC000024755391 521574030 /nfs/dbraw/zinc/57/40/30/521574030.db2.gz UNOFWUQSWQLUCY-GFCCVEGCSA-N 0 0 328.397 2.462 50 30 EEEARN Cc1nnc(SCCCNC(=O)C2=CC(=O)CC(C)(C)O2)s1 ZINC000055359075 526384420 /nfs/dbraw/zinc/38/44/20/526384420.db2.gz CZASVUXWABJHTH-UHFFFAOYSA-N 0 0 341.458 2.097 50 30 EEEARN COc1ccc(-c2nc(NCCCn3ccnc3)nc(N)c2C#N)cc1 ZINC000214079977 536525990 /nfs/dbraw/zinc/52/59/90/536525990.db2.gz IPDAKFZRIMOTFD-UHFFFAOYSA-N 0 0 349.398 2.305 50 30 EEEARN Cc1c(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cc(C#N)n1C ZINC000230553192 564051131 /nfs/dbraw/zinc/05/11/31/564051131.db2.gz YKITVLUZNSGBGR-LJQANCHMSA-N 0 0 339.443 2.251 50 30 EEEARN C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC001196437886 1284054348 /nfs/dbraw/zinc/05/43/48/1284054348.db2.gz IHIUVELLAPYTJV-CQSZACIVSA-N 0 0 349.500 2.149 50 30 EEEARN C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@H]1COC ZINC000952961187 796077937 /nfs/dbraw/zinc/07/79/37/796077937.db2.gz USJHIVVHFCTULF-AWEZNQCLSA-N 0 0 330.475 2.092 50 30 EEEARN C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000004192116 210142860 /nfs/dbraw/zinc/14/28/60/210142860.db2.gz JKCQZOMLVXRUMF-CHWSQXEVSA-N 0 0 342.873 2.099 50 30 EEEARN N#Cc1ccc(OCCOC(=O)c2ccccc2NCCO)cc1 ZINC000022148442 212280011 /nfs/dbraw/zinc/28/00/11/212280011.db2.gz FPFWTPCWESMVIY-UHFFFAOYSA-N 0 0 326.352 2.198 50 30 EEEARN Cc1nn(CCO)c(C)c1-c1cc(-c2cccc(O)c2)nc(N)c1C#N ZINC000067696036 215189522 /nfs/dbraw/zinc/18/95/22/215189522.db2.gz STRDJEVOBGJAQH-UHFFFAOYSA-N 0 0 349.394 2.381 50 30 EEEARN CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000002622649 209876014 /nfs/dbraw/zinc/87/60/14/209876014.db2.gz CBYMIVUIECBLIP-SFHVURJKSA-N 0 0 342.399 2.243 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000289870 290926036 /nfs/dbraw/zinc/92/60/36/290926036.db2.gz BZGJRLPALQTYDX-CYBMUJFWSA-N 0 0 344.323 2.059 50 30 EEEARN N#C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(OCc2ccccc2)cc1 ZINC000104393949 237085781 /nfs/dbraw/zinc/08/57/81/237085781.db2.gz HJLBXFPUIUGEEB-MSOLQXFVSA-N 0 0 349.390 2.225 50 30 EEEARN C=CCNc1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N ZINC000012421028 211374814 /nfs/dbraw/zinc/37/48/14/211374814.db2.gz UEZGASLWWVELRW-UHFFFAOYSA-N 0 0 332.385 2.061 50 30 EEEARN C[C@@H]1CN(C(=O)c2ccccc2C#N)CC[C@@]1(O)C1CCOCC1 ZINC000091974020 218096980 /nfs/dbraw/zinc/09/69/80/218096980.db2.gz QGEPYVQJLYGSGU-KUHUBIRLSA-N 0 0 328.412 2.198 50 30 EEEARN COc1ccc(C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1 ZINC000004992930 210352900 /nfs/dbraw/zinc/35/29/00/210352900.db2.gz MGEVOYOXSWLLRH-UHFFFAOYSA-N 0 0 348.366 2.412 50 30 EEEARN N#Cc1cnc(SCC(=O)Nc2ccc(F)c(F)c2F)nc1N ZINC000004935422 258051422 /nfs/dbraw/zinc/05/14/22/258051422.db2.gz OJDANMMWQPYDQC-UHFFFAOYSA-N 0 0 339.302 2.079 50 30 EEEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 ZINC000102798852 258069458 /nfs/dbraw/zinc/06/94/58/258069458.db2.gz MOKAQXHDEUPJSX-GROYHEBESA-N 0 0 337.375 2.409 50 30 EEEARN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1CCCN(c2cnccn2)C1 ZINC000037171561 132392764 /nfs/dbraw/zinc/39/27/64/132392764.db2.gz KIGKXHFDUVSBJG-QMMMGPOBSA-N 0 0 341.297 2.118 50 30 EEEARN CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(C#N)c1)CCO2 ZINC000128531464 277503842 /nfs/dbraw/zinc/50/38/42/277503842.db2.gz RCSCWRWAECCPFG-UHFFFAOYSA-N 0 0 342.376 2.001 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2CCn2cccn2)c1 ZINC000077408064 303204849 /nfs/dbraw/zinc/20/48/49/303204849.db2.gz GHPZAAAMMGUBDV-MRXNPFEDSA-N 0 0 344.440 2.388 50 30 EEEARN CCN1CCN(c2oc(COc3ccccc3F)nc2C#N)CC1 ZINC000000108395 462542384 /nfs/dbraw/zinc/54/23/84/462542384.db2.gz OXSMNPLLKYUFER-UHFFFAOYSA-N 0 0 330.363 2.406 50 30 EEEARN CCCNC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2)cnn1C ZINC000002798151 462603642 /nfs/dbraw/zinc/60/36/42/462603642.db2.gz GICRJQWOCFKKLZ-VXLYETTFSA-N 0 0 330.388 2.328 50 30 EEEARN CON=CNc1nc2nccc([C@H](C)Oc3ccc(F)cc3)n2n1 ZINC000003134298 462611419 /nfs/dbraw/zinc/61/14/19/462611419.db2.gz QOVUJDBECGTHGK-JTQLQIEISA-N 0 0 330.323 2.405 50 30 EEEARN N#Cc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc32)cc1 ZINC000005990713 462673488 /nfs/dbraw/zinc/67/34/88/462673488.db2.gz OYTGZPUGDWRSFC-UHFFFAOYSA-N 0 0 336.347 2.070 50 30 EEEARN N#Cc1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000006750033 462703286 /nfs/dbraw/zinc/70/32/86/462703286.db2.gz QTUHEKLQTMAFFX-UHFFFAOYSA-N 0 0 339.370 2.425 50 30 EEEARN Cc1c(C(=O)Nc2ccc(F)cc2)cnc2nc(SCC#N)nn21 ZINC000006759648 462703387 /nfs/dbraw/zinc/70/33/87/462703387.db2.gz QDIHWSYSZLJBGF-UHFFFAOYSA-N 0 0 342.359 2.440 50 30 EEEARN CCc1cccc(CC)c1NC(=O)Cn1nc(C)c(C)c(C#N)c1=O ZINC000007441708 462735872 /nfs/dbraw/zinc/73/58/72/462735872.db2.gz SBBFAQVOKFVPOX-UHFFFAOYSA-N 0 0 338.411 2.495 50 30 EEEARN CC(C)Cn1nnnc1S[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000012852509 462872395 /nfs/dbraw/zinc/87/23/95/462872395.db2.gz BNGHKAFJQPPVHF-NSHDSACASA-N 0 0 330.417 2.320 50 30 EEEARN N#Cc1ncn(CC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000013005126 462881666 /nfs/dbraw/zinc/88/16/66/462881666.db2.gz YIOYEPDFEQAXPP-UHFFFAOYSA-N 0 0 340.568 2.204 50 30 EEEARN COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cc(OC)ccc1OC ZINC000013464861 462893112 /nfs/dbraw/zinc/89/31/12/462893112.db2.gz RSMYTSSHYREYHL-MRXNPFEDSA-N 0 0 349.383 2.025 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1N1CCCC1=O ZINC000015361468 462949835 /nfs/dbraw/zinc/94/98/35/462949835.db2.gz JYBRWKSJIUVNLH-SFHVURJKSA-N 0 0 328.416 2.280 50 30 EEEARN Cc1ccc(S(=O)(=O)c2ccc(Cn3cnc(C#N)n3)cc2)cc1 ZINC000032329567 463370937 /nfs/dbraw/zinc/37/09/37/463370937.db2.gz JQQVNJUVLWKVST-UHFFFAOYSA-N 0 0 338.392 2.339 50 30 EEEARN Cc1nn(C)c(C)c1C=CC(O)=C(C#N)C(=O)NC1CCCCC1 ZINC000100871153 463375302 /nfs/dbraw/zinc/37/53/02/463375302.db2.gz CPXHNUFTXGGABH-ZNFPLGDCSA-N 0 0 328.416 2.208 50 30 EEEARN COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc(OC)c1C ZINC000104055644 463408039 /nfs/dbraw/zinc/40/80/39/463408039.db2.gz AMJQDIDRMPTTPL-ZDUSSCGKSA-N 0 0 339.351 2.368 50 30 EEEARN C=CCCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082109710 463515658 /nfs/dbraw/zinc/51/56/58/463515658.db2.gz NOPQKBCVGFFFDS-IBGZPJMESA-N 0 0 344.459 2.150 50 30 EEEARN N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)c(F)c1 ZINC000109303663 463638471 /nfs/dbraw/zinc/63/84/71/463638471.db2.gz VIIKGRZKQJPOKQ-CABCVRRESA-N 0 0 331.391 2.209 50 30 EEEARN C#CCn1cc(CN(C)Cn2nc(SC)sc2=S)cn1 ZINC000125880813 518345485 /nfs/dbraw/zinc/34/54/85/518345485.db2.gz GHMJWKBAXGAFDE-UHFFFAOYSA-N 0 0 325.488 2.315 50 30 EEEARN C=CCS(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1C ZINC000014978215 519076219 /nfs/dbraw/zinc/07/62/19/519076219.db2.gz OXTYODUTUWXLMO-LBPRGKRZSA-N 0 0 335.429 2.356 50 30 EEEARN CCCS(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1 ZINC000027664394 520546771 /nfs/dbraw/zinc/54/67/71/520546771.db2.gz IUEGWKYKBMJGFT-UHFFFAOYSA-N 0 0 341.414 2.389 50 30 EEEARN N#CCCCSc1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000012534716 526447052 /nfs/dbraw/zinc/44/70/52/526447052.db2.gz NRCUYSUNICABCF-UHFFFAOYSA-N 0 0 329.429 2.500 50 30 EEEARN Cc1cc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c(C)o1 ZINC000206601235 564003750 /nfs/dbraw/zinc/00/37/50/564003750.db2.gz FGOAKCDYQOTWQA-UHFFFAOYSA-N 0 0 339.399 2.205 50 30 EEEARN CCCCCn1c(N=NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004730329 210262194 /nfs/dbraw/zinc/26/21/94/210262194.db2.gz XKZQVKJOJZUKRI-UHFFFAOYSA-N 0 0 346.435 2.346 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000004548208 210219315 /nfs/dbraw/zinc/21/93/15/210219315.db2.gz FRDJXXOCAJSCJO-UHFFFAOYSA-N 0 0 346.774 2.015 50 30 EEEARN C/N=C1\S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C ZINC000101166897 219117795 /nfs/dbraw/zinc/11/77/95/219117795.db2.gz NPTDQXSUQZRHQJ-FEGCFHEDSA-N 0 0 335.404 2.194 50 30 EEEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1 ZINC000004075124 210113098 /nfs/dbraw/zinc/11/30/98/210113098.db2.gz IHWGUPNIHHXKQR-UHFFFAOYSA-N 0 0 340.408 2.400 50 30 EEEARN N#Cc1cccc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000102127695 219187459 /nfs/dbraw/zinc/18/74/59/219187459.db2.gz PPUHMFWXKATDMC-IYBDPMFKSA-N 0 0 340.379 2.167 50 30 EEEARN C#CCOc1ccc(/C=C2\NC(=S)N(CC)C2=O)cc1OCC ZINC000003464435 210046687 /nfs/dbraw/zinc/04/66/87/210046687.db2.gz GKTCGWALVRAMOA-RAXLEYEMSA-N 0 0 330.409 2.175 50 30 EEEARN COc1nc2ccn(CCNc3cc(C)cc[nH+]3)c(=O)c2cc1C#N ZINC000067833358 215222476 /nfs/dbraw/zinc/22/24/76/215222476.db2.gz PDRMOYCTWCPRJZ-UHFFFAOYSA-N 0 0 335.367 2.092 50 30 EEEARN COC(=O)c1cc(C#N)c(=O)n(Cc2ccccc2Br)c1 ZINC000032907174 212867162 /nfs/dbraw/zinc/86/71/62/212867162.db2.gz ANAJGEKUHJSHJV-UHFFFAOYSA-N 0 0 347.168 2.317 50 30 EEEARN COc1nccc(N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1C#N ZINC000072166396 216056538 /nfs/dbraw/zinc/05/65/38/216056538.db2.gz QIKABIFOELMMJK-AWEZNQCLSA-N 0 0 336.395 2.130 50 30 EEEARN N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(Cl)cc1 ZINC000020150102 212106391 /nfs/dbraw/zinc/10/63/91/212106391.db2.gz WJZNWBQZSWIIEP-UHFFFAOYSA-N 0 0 343.799 2.305 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCOCC3)sc2C1 ZINC000019902695 212082053 /nfs/dbraw/zinc/08/20/53/212082053.db2.gz OCVGZJQNBMQSQM-LBPRGKRZSA-N 0 0 333.457 2.405 50 30 EEEARN Cn1c(Oc2ccc(-c3ccccc3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000014205068 211712033 /nfs/dbraw/zinc/71/20/33/211712033.db2.gz FCFJDVRKQQIBRV-UHFFFAOYSA-N 0 0 333.347 2.415 50 30 EEEARN C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 ZINC000091820334 218071415 /nfs/dbraw/zinc/07/14/15/218071415.db2.gz XUHNARIYQYKQAU-QGZVFWFLSA-N 0 0 339.457 2.343 50 30 EEEARN N#Cc1cccc(C2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)c1 ZINC000092062351 218111247 /nfs/dbraw/zinc/11/12/47/218111247.db2.gz MQGWHUUQOXCAKG-QGZVFWFLSA-N 0 0 340.427 2.055 50 30 EEEARN Cc1cc(C)n(CC(=O)NCc2ccccc2Cl)c(=O)c1C#N ZINC000009327615 211068865 /nfs/dbraw/zinc/06/88/65/211068865.db2.gz UAIFJLXAQUGXGM-UHFFFAOYSA-N 0 0 329.787 2.307 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1-c1cc2cccc(OC)c2o1 ZINC000008935328 211020335 /nfs/dbraw/zinc/02/03/35/211020335.db2.gz NHLFLSRUYRJFIP-UHFFFAOYSA-N 0 0 344.396 2.463 50 30 EEEARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2)C1 ZINC000006747254 210699649 /nfs/dbraw/zinc/69/96/49/210699649.db2.gz JTNKGXIZPQLPPG-OAHLLOKOSA-N 0 0 349.456 2.339 50 30 EEEARN CCOc1ccc(NC(=O)N2CC[C@@H](CC(=O)OC)C2)cc1C#N ZINC000097499443 219030811 /nfs/dbraw/zinc/03/08/11/219030811.db2.gz APHAZIFXSDWOHR-LBPRGKRZSA-N 0 0 331.372 2.374 50 30 EEEARN CC1=CC(=NOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C(C)C1=O ZINC000004754911 210271650 /nfs/dbraw/zinc/27/16/50/210271650.db2.gz VCUUSGPLHIZTSY-UHFFFAOYSA-N 0 0 336.325 2.131 50 30 EEEARN N#Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000052537531 132184639 /nfs/dbraw/zinc/18/46/39/132184639.db2.gz NEWWTUAVLFUDDO-UHFFFAOYSA-N 0 0 338.386 2.458 50 30 EEEARN C=CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000003552930 275746797 /nfs/dbraw/zinc/74/67/97/275746797.db2.gz VNZAEZRJIQADBA-SNVBAGLBSA-N 0 0 336.413 2.042 50 30 EEEARN CN(CC(=O)Nc1ccc2scnc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000328697503 465103430 /nfs/dbraw/zinc/10/34/30/465103430.db2.gz UQDYKXYGYLPOQF-LLVKDONJSA-N 0 0 339.442 2.003 50 30 EEEARN C=CCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000812618 462573850 /nfs/dbraw/zinc/57/38/50/462573850.db2.gz SDVMTUMPZOGWHT-UHFFFAOYSA-N 0 0 328.397 2.069 50 30 EEEARN CC(=O)NC(=Nc1nc(C)cc(C)n1)Nc1ccc(NC(C)=O)cc1 ZINC000002279969 462591902 /nfs/dbraw/zinc/59/19/02/462591902.db2.gz JYLNCABJYFEHAR-UHFFFAOYSA-N 0 0 340.387 2.288 50 30 EEEARN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(N)=O ZINC000002645408 462597774 /nfs/dbraw/zinc/59/77/74/462597774.db2.gz MGUGOCZGUCYGKE-SNVBAGLBSA-N 0 0 336.392 2.148 50 30 EEEARN CCOC(=O)CCCN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000003263444 462615099 /nfs/dbraw/zinc/61/50/99/462615099.db2.gz PMZADCSHWQBYFX-UHFFFAOYSA-N 0 0 345.424 2.152 50 30 EEEARN COCCOC(=NC(=O)c1ccc(F)cc1)NCc1ccccn1 ZINC000004752792 462637191 /nfs/dbraw/zinc/63/71/91/462637191.db2.gz LVOBNJJZDBGPBR-UHFFFAOYSA-N 0 0 331.347 2.170 50 30 EEEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000005586372 462664038 /nfs/dbraw/zinc/66/40/38/462664038.db2.gz XEHCNNSJVLENKL-CAOOACKPSA-N 0 0 332.316 2.462 50 30 EEEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccccc1 ZINC000006050215 462675303 /nfs/dbraw/zinc/67/53/03/462675303.db2.gz OYPZSBWRPLJXBY-CYBMUJFWSA-N 0 0 337.379 2.264 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000007713663 462746792 /nfs/dbraw/zinc/74/67/92/462746792.db2.gz PSISGGAFHGOQQZ-UHFFFAOYSA-N 0 0 346.412 2.457 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)C1CCCCC1)CC2 ZINC000091350791 462875450 /nfs/dbraw/zinc/87/54/50/462875450.db2.gz FHSGCLOGNVQCJC-GOSISDBHSA-N 0 0 348.487 2.345 50 30 EEEARN C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C(C)C)oc3C)C[C@]2(C(=O)[O-])C1 ZINC000091593030 462890317 /nfs/dbraw/zinc/89/03/17/462890317.db2.gz GWNTXFPYHBHICN-AUUYWEPGSA-N 0 0 346.427 2.356 50 30 EEEARN CCCCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)n[nH]c1=O ZINC000014249086 462922171 /nfs/dbraw/zinc/92/21/71/462922171.db2.gz OSMCIXZGJUNQTQ-LLVKDONJSA-N 0 0 345.428 2.362 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000015349098 462948678 /nfs/dbraw/zinc/94/86/78/462948678.db2.gz NPIHJTIGVYSDNF-UHFFFAOYSA-N 0 0 330.409 2.428 50 30 EEEARN CCCOc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 ZINC000016650280 462986249 /nfs/dbraw/zinc/98/62/49/462986249.db2.gz XKYYYFGYNYUSCO-UHFFFAOYSA-N 0 0 343.412 2.450 50 30 EEEARN Cc1noc(C)c1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029225322 463248535 /nfs/dbraw/zinc/24/85/35/463248535.db2.gz FOQDWDIXKUKYDA-UHFFFAOYSA-N 0 0 327.388 2.351 50 30 EEEARN Cc1nn(CC(=O)N2c3ccccc3CC[C@H]2C)c(=O)c(C#N)c1C ZINC000029502357 463259660 /nfs/dbraw/zinc/25/96/60/463259660.db2.gz YYXIEKKXYGCFLR-GFCCVEGCSA-N 0 0 336.395 2.100 50 30 EEEARN N#CCC[C@@H](C#N)CN1CCN(c2ccc(Br)cn2)CC1 ZINC000030536521 463303154 /nfs/dbraw/zinc/30/31/54/463303154.db2.gz NCXBWBQSTYIQJE-ZDUSSCGKSA-N 0 0 348.248 2.410 50 30 EEEARN C[C@@H]1CN(C(C)(C)CNC(=O)NCC#Cc2ccccc2)C[C@@H](C)O1 ZINC000032802839 463395118 /nfs/dbraw/zinc/39/51/18/463395118.db2.gz VFSMSXQRIRSHGO-IAGOWNOFSA-N 0 0 343.471 2.225 50 30 EEEARN CC(C)CNc1oc(-c2ccc(S(=O)(=O)N(C)C)o2)nc1C#N ZINC000071286103 463414077 /nfs/dbraw/zinc/41/40/77/463414077.db2.gz ZUPPHIGVNBLKHZ-UHFFFAOYSA-N 0 0 338.389 2.124 50 30 EEEARN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2c(C(N)=O)cnn21 ZINC000040267543 463454691 /nfs/dbraw/zinc/45/46/91/463454691.db2.gz JMIBRDUNFHNCNZ-INIZCTEOSA-N 0 0 338.367 2.013 50 30 EEEARN COc1ccccc1N1CCN(C(=O)c2ccccc2C#N)CC1=O ZINC000082160655 463519553 /nfs/dbraw/zinc/51/95/53/463519553.db2.gz ZTDASUMULWFEHO-UHFFFAOYSA-N 0 0 335.363 2.056 50 30 EEEARN Cc1nnc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(C#N)c1C ZINC000107362543 463567185 /nfs/dbraw/zinc/56/71/85/463567185.db2.gz GPWGAYQTTLADPI-MOPGFXCFSA-N 0 0 349.438 2.055 50 30 EEEARN N#Cc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000223193699 464137744 /nfs/dbraw/zinc/13/77/44/464137744.db2.gz SQDRIEJYLVLNFT-QZTJIDSGSA-N 0 0 337.379 2.057 50 30 EEEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O ZINC000024092194 518185493 /nfs/dbraw/zinc/18/54/93/518185493.db2.gz OELYWZVAXZUVNA-VQIMIIECSA-N 0 0 335.363 2.059 50 30 EEEARN C=CCNc1nc(C(=O)OCC(=O)NCc2cccs2)cs1 ZINC000003569012 518963010 /nfs/dbraw/zinc/96/30/10/518963010.db2.gz LNODQRHODATTEV-UHFFFAOYSA-N 0 0 337.426 2.276 50 30 EEEARN Cc1ccc(S(=O)(=O)N=C(N)NCCc2cccc(C)c2)cc1 ZINC000020857171 525484307 /nfs/dbraw/zinc/48/43/07/525484307.db2.gz IDYHAMSUZCPVBT-UHFFFAOYSA-N 0 0 331.441 2.139 50 30 EEEARN O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000015109802 527672374 /nfs/dbraw/zinc/67/23/74/527672374.db2.gz QZXSWQXTLRYDLG-HNNXBMFYSA-N 0 0 345.326 2.379 50 30 EEEARN CCN1C(=O)/C(=C/c2ccc(Cl)nc2)S/C1=N/n1cnnc1 ZINC000100199696 1358189166 /nfs/dbraw/zinc/18/91/66/1358189166.db2.gz ZQXUZSJKVIQLMP-FGWWWFEMSA-N 0 0 334.792 2.082 50 30 EEEARN C[C@H]1C[C@H](C)CN(C(=O)COCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000004700044 210251342 /nfs/dbraw/zinc/25/13/42/210251342.db2.gz QGSPEJVOEZIIFE-KBPBESRZSA-N 0 0 329.400 2.018 50 30 EEEARN C=CCOc1ccc(C(=O)N(CCC(N)=O)C(C)C)cc1OCC ZINC000055415095 214322373 /nfs/dbraw/zinc/32/23/73/214322373.db2.gz YWJMSTFTYQDZPW-UHFFFAOYSA-N 0 0 334.416 2.376 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(c3nc4cccnc4o3)CC2)cc1 ZINC000033027260 539332152 /nfs/dbraw/zinc/33/21/52/539332152.db2.gz WIWUZTUSMLTRMT-UHFFFAOYSA-N 0 0 333.351 2.057 50 30 EEEARN Cc1c(CN2CCN(Cc3ccc(C)cc3)C(=O)C2)cc(C#N)n1C ZINC000072169877 216060335 /nfs/dbraw/zinc/06/03/35/216060335.db2.gz PJVRBFKSLZZVML-UHFFFAOYSA-N 0 0 336.439 2.358 50 30 EEEARN C#CCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 ZINC000022690913 212317055 /nfs/dbraw/zinc/31/70/55/212317055.db2.gz BXIXIPHUWOSQQK-AEFFLSMTSA-N 0 0 328.412 2.134 50 30 EEEARN CC(C)[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ncnn1C ZINC000218399011 241319884 /nfs/dbraw/zinc/31/98/84/241319884.db2.gz OUXBZKXBLABWQH-MRXNPFEDSA-N 0 0 340.427 2.065 50 30 EEEARN C#CCN(CC=C)Cc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000020205704 212112215 /nfs/dbraw/zinc/11/22/15/212112215.db2.gz PEYJCQKMJJPNAW-UHFFFAOYSA-N 0 0 328.441 2.253 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)Nc2cccc(F)c2)nc1N ZINC000019851822 212076029 /nfs/dbraw/zinc/07/60/29/212076029.db2.gz FHUWIDGAIYJFHT-UHFFFAOYSA-N 0 0 327.344 2.277 50 30 EEEARN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000110646566 220051295 /nfs/dbraw/zinc/05/12/95/220051295.db2.gz OCDGCIHOZPWJIN-JFIYKMOQSA-N 0 0 329.444 2.457 50 30 EEEARN CC1(C)CC(=O)C=C(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)O1 ZINC000014959291 211778345 /nfs/dbraw/zinc/77/83/45/211778345.db2.gz QFVNOIROYFKEDR-INIZCTEOSA-N 0 0 347.386 2.248 50 30 EEEARN COc1ccc(NC(C)=O)cc1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000011620279 211226241 /nfs/dbraw/zinc/22/62/41/211226241.db2.gz YWEFUVRLLHOTAH-QGZVFWFLSA-N 0 0 332.404 2.120 50 30 EEEARN C=CCOc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1OC ZINC000010268694 211158598 /nfs/dbraw/zinc/15/85/98/211158598.db2.gz LFMUNXOXWFFCPX-KRWDZBQOSA-N 0 0 340.379 2.216 50 30 EEEARN C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000006559253 210654865 /nfs/dbraw/zinc/65/48/65/210654865.db2.gz WJVDGDVDEZLJOT-UHFFFAOYSA-N 0 0 336.457 2.006 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000034854097 132388442 /nfs/dbraw/zinc/38/84/42/132388442.db2.gz DZFDSUCSISKGBN-UHFFFAOYSA-N 0 0 326.425 2.380 50 30 EEEARN COc1ccc(OC)c2c1CN(c1nnc(C)c(C)c1C#N)C[C@@H]2O ZINC000024054946 286345645 /nfs/dbraw/zinc/34/56/45/286345645.db2.gz RXHKRYSQOZFVQA-AWEZNQCLSA-N 0 0 340.383 2.036 50 30 EEEARN COC(=O)c1ccccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000122899141 222178488 /nfs/dbraw/zinc/17/84/88/222178488.db2.gz XWCVBWRTWVCPMA-UHFFFAOYSA-N 0 0 336.395 2.062 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)[C@H]3CCCO3)sc2C1 ZINC000003362601 264005392 /nfs/dbraw/zinc/00/53/92/264005392.db2.gz QZXQVRLOCPOAQL-ZWNOBZJWSA-N 0 0 348.424 2.405 50 30 EEEARN CNC(=O)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1 ZINC000024703841 277013603 /nfs/dbraw/zinc/01/36/03/277013603.db2.gz MTTMWVLHPFHZCF-GOSISDBHSA-N 0 0 349.390 2.031 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@]1(C)CCCCO1)CC2 ZINC000091695331 277857236 /nfs/dbraw/zinc/85/72/36/277857236.db2.gz YASVNRGERXUEQX-GOSISDBHSA-N 0 0 334.460 2.363 50 30 EEEARN Cc1cc(/C=N/NS(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000000123886 462542743 /nfs/dbraw/zinc/54/27/43/462542743.db2.gz DIJXDHHZFXVPMP-FRKPEAEDSA-N 0 0 333.291 2.314 50 30 EEEARN O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCOCC1 ZINC000000173955 462545300 /nfs/dbraw/zinc/54/53/00/462545300.db2.gz IJCSHPWRLJYCBF-QGOAFFKASA-N 0 0 346.408 2.164 50 30 EEEARN COc1cccc(OC)c1C(=O)ON1C(=O)c2ccccc2C1=O ZINC000000293931 462553689 /nfs/dbraw/zinc/55/36/89/462553689.db2.gz OWZQCMILXAXHDT-UHFFFAOYSA-N 0 0 327.292 2.072 50 30 EEEARN C=CCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc21 ZINC000002392659 462593112 /nfs/dbraw/zinc/59/31/12/462593112.db2.gz JTGFMDPFSYPFMD-UHFFFAOYSA-N 0 0 339.399 2.119 50 30 EEEARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccccc2C#N)[C@H]1C ZINC000003240231 462613912 /nfs/dbraw/zinc/61/39/12/462613912.db2.gz WCIVOLDYSFAQFS-YCPHGPKFSA-N 0 0 344.411 2.421 50 30 EEEARN Cc1cc(O)ccc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N ZINC000005182970 462648284 /nfs/dbraw/zinc/64/82/84/462648284.db2.gz ILGJXELDKKNWNI-UHFFFAOYSA-N 0 0 334.379 2.304 50 30 EEEARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccccc1C#N ZINC000007004272 462716284 /nfs/dbraw/zinc/71/62/84/462716284.db2.gz CQNJJFGUVGHYNW-KBPBESRZSA-N 0 0 330.384 2.270 50 30 EEEARN N#Cc1ccc(OCCN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 ZINC000008752437 462795245 /nfs/dbraw/zinc/79/52/45/462795245.db2.gz RVDSBEPBGDXILJ-QGZVFWFLSA-N 0 0 335.363 2.100 50 30 EEEARN O=c1[nH][nH]c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000012347315 462852168 /nfs/dbraw/zinc/85/21/68/462852168.db2.gz PMMFXJFYXXOESY-ZDUSSCGKSA-N 0 0 325.324 2.409 50 30 EEEARN COC(=O)c1cccc(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000012944978 462876813 /nfs/dbraw/zinc/87/68/13/462876813.db2.gz ZAYMJBCBEDJNRZ-UHFFFAOYSA-N 0 0 336.395 2.062 50 30 EEEARN N#Cc1ccccc1CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000024249268 463081756 /nfs/dbraw/zinc/08/17/56/463081756.db2.gz QSYRZWPJMJQZPD-UHFFFAOYSA-N 0 0 334.423 2.315 50 30 EEEARN Cc1nn(C[C@H](O)COc2ccc3ccccc3c2)c(=O)c(C#N)c1C ZINC000028915636 463236884 /nfs/dbraw/zinc/23/68/84/463236884.db2.gz GWQACACUOOFYKH-KRWDZBQOSA-N 0 0 349.390 2.325 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)c1OC ZINC000104257869 463410329 /nfs/dbraw/zinc/41/03/29/463410329.db2.gz ZRKQNIWHTIGDOX-FJVVXJACSA-N 0 0 342.395 2.438 50 30 EEEARN C#CCN1CCCC[C@H]1C(=O)N[C@H]1CCOc2c(OC)cc(C)cc21 ZINC000072230287 463484353 /nfs/dbraw/zinc/48/43/53/463484353.db2.gz ZHORKMYGWPHGNY-IRXDYDNUSA-N 0 0 342.439 2.431 50 30 EEEARN C=CC[C@H](CO)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000108375337 463602117 /nfs/dbraw/zinc/60/21/17/463602117.db2.gz LVHIGFMMSHARCH-VYDXJSESSA-N 0 0 332.444 2.132 50 30 EEEARN COc1cncc(O[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000225498451 464166491 /nfs/dbraw/zinc/16/64/91/464166491.db2.gz LLILZEVOSXALOF-HNNXBMFYSA-N 0 0 338.367 2.040 50 30 EEEARN N#Cc1cc2n(n1)CCCN([C@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000670474116 485656819 /nfs/dbraw/zinc/65/68/19/485656819.db2.gz IULXFCIQBQZALD-KRWDZBQOSA-N 0 0 325.391 2.378 50 30 EEEARN C#CCNC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000022761815 518285360 /nfs/dbraw/zinc/28/53/60/518285360.db2.gz ICEZVWLLHSWYPY-UHFFFAOYSA-N 0 0 342.420 2.265 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000004485572 518907556 /nfs/dbraw/zinc/90/75/56/518907556.db2.gz HFKIBDDJHXEBCB-UHFFFAOYSA-N 0 0 344.440 2.413 50 30 EEEARN COC(=O)/C=C1\SC(N2CCOCC2)=C(c2ccccc2)C1=O ZINC000013566862 538559736 /nfs/dbraw/zinc/55/97/36/538559736.db2.gz MEVFXGTXKWIERD-QBFSEMIESA-N 0 0 331.393 2.060 50 30 EEEARN CCOC(=O)C(=NNc1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000003178873 1202512228 /nfs/dbraw/zinc/51/22/28/1202512228.db2.gz SFMPLSNCCXLXBZ-NSHDSACASA-N 0 0 325.796 2.397 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3cccnc3)CC2)cc1 ZINC000952974550 796117026 /nfs/dbraw/zinc/11/70/26/796117026.db2.gz WATVHLVBCHTZNK-UHFFFAOYSA-N 0 0 349.434 2.166 50 30 EEEARN C/N=C1\S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C(=O)N1C ZINC000004688393 210247706 /nfs/dbraw/zinc/24/77/06/210247706.db2.gz BZGBLPFHHQXHSJ-VJEQILROSA-N 0 0 343.408 2.346 50 30 EEEARN COc1cccc(OCCOc2cccc(/C=N/NC(N)=S)c2)c1 ZINC000004510934 210209210 /nfs/dbraw/zinc/20/92/10/210209210.db2.gz WVHXQULRULMYPZ-XDHOZWIPSA-N 0 0 345.424 2.320 50 30 EEEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2cccc(OC)c2)C1=O ZINC000004294807 210162344 /nfs/dbraw/zinc/16/23/44/210162344.db2.gz PCUNJFMVQVOUQU-HXUWFJFHSA-N 0 0 335.359 2.136 50 30 EEEARN COc1ccc(C(=O)C=CNc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002899194 209938891 /nfs/dbraw/zinc/93/88/91/209938891.db2.gz AYBJEFYSKMWAOC-ZHACJKMWSA-N 0 0 332.381 2.151 50 30 EEEARN COC(=O)C1=C(C(C)=O)[C@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 ZINC000002503038 209858664 /nfs/dbraw/zinc/85/86/64/209858664.db2.gz UYZAFFJHUDOOAW-HNNXBMFYSA-N 0 0 341.371 2.424 50 30 EEEARN CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N(C)C)c1C#N ZINC000032850663 212856239 /nfs/dbraw/zinc/85/62/39/212856239.db2.gz GLHPPECKIFJNFW-VIFPVBQESA-N 0 0 333.413 2.186 50 30 EEEARN N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000023596702 212384372 /nfs/dbraw/zinc/38/43/72/212384372.db2.gz ZWMNXFUUBLPKEY-INIZCTEOSA-N 0 0 341.436 2.423 50 30 EEEARN COc1cc(C#N)ccc1OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000014197513 211708397 /nfs/dbraw/zinc/70/83/97/211708397.db2.gz MXZMXLXCGCNJMI-UHFFFAOYSA-N 0 0 346.408 2.396 50 30 EEEARN O=C(CNC(=O)c1ccco1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012521790 211397752 /nfs/dbraw/zinc/39/77/52/211397752.db2.gz NBHSMAHCUALEGA-UHFFFAOYSA-N 0 0 345.358 2.443 50 30 EEEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000006423452 210632805 /nfs/dbraw/zinc/63/28/05/210632805.db2.gz NBPFQPBFEMFBAG-UHFFFAOYSA-N 0 0 348.314 2.460 50 30 EEEARN C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 ZINC000004845056 210297506 /nfs/dbraw/zinc/29/75/06/210297506.db2.gz ZAGVHGVFZBMMND-MRXNPFEDSA-N 0 0 346.383 2.069 50 30 EEEARN COc1cccc(C=NNc2nc3ccccc3n3cnnc23)c1O ZINC000004793411 210278260 /nfs/dbraw/zinc/27/82/60/210278260.db2.gz WBDRUDFQAILJPA-GIJQJNRQSA-N 0 0 334.339 2.438 50 30 EEEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O ZINC000004783715 210276769 /nfs/dbraw/zinc/27/67/69/210276769.db2.gz NLXFVFUUURHGAH-LBPRGKRZSA-N 0 0 349.368 2.482 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(F)cc1 ZINC000006700061 258044328 /nfs/dbraw/zinc/04/43/28/258044328.db2.gz MONDWIQLMZXVKE-JTQLQIEISA-N 0 0 336.392 2.321 50 30 EEEARN CC(=O)N1CCCN(C(=O)c2cccc(-c3cccnc3C#N)c2)CC1 ZINC000299788626 258095250 /nfs/dbraw/zinc/09/52/50/258095250.db2.gz VUFAZPDPNZWMLR-UHFFFAOYSA-N 0 0 348.406 2.315 50 30 EEEARN CCOC(=O)[C@H]1CCCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 ZINC000004629007 276293611 /nfs/dbraw/zinc/29/36/11/276293611.db2.gz UADLWYIKOJVFCT-NSHDSACASA-N 0 0 328.328 2.118 50 30 EEEARN CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003106627 278493765 /nfs/dbraw/zinc/49/37/65/278493765.db2.gz GPCJSZWXLYSVRJ-UHFFFAOYSA-N 0 0 345.267 2.491 50 30 EEEARN NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(F)cc1 ZINC000040283293 303351193 /nfs/dbraw/zinc/35/11/93/303351193.db2.gz LAXDKPNQNSGMST-OAHLLOKOSA-N 0 0 326.331 2.143 50 30 EEEARN C/N=C1\S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1C ZINC000001132411 462577846 /nfs/dbraw/zinc/57/78/46/462577846.db2.gz OWKDJZWQDAGOBX-NPAMKKHASA-N 0 0 331.441 2.364 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000002642305 462598545 /nfs/dbraw/zinc/59/85/45/462598545.db2.gz ZIJMVSRTJRVXQP-UHFFFAOYSA-N 0 0 335.410 2.122 50 30 EEEARN CN(CCC#N)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304244 462654674 /nfs/dbraw/zinc/65/46/74/462654674.db2.gz DWJNYTQPOJGNNB-UHFFFAOYSA-N 0 0 346.390 2.430 50 30 EEEARN N#Cc1cccc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000075156949 462688032 /nfs/dbraw/zinc/68/80/32/462688032.db2.gz FUFRLXMUUMAJHS-UHFFFAOYSA-N 0 0 337.379 2.433 50 30 EEEARN N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(F)cc1F ZINC000006942927 462712818 /nfs/dbraw/zinc/71/28/18/462712818.db2.gz LHPNBNFESPRQID-UHFFFAOYSA-N 0 0 346.289 2.397 50 30 EEEARN O=C(/C=C/c1ccc(I)o1)c1ccc[n+]([O-])c1 ZINC000025667173 463134047 /nfs/dbraw/zinc/13/40/47/463134047.db2.gz ILKDRLHDALJLNT-HWKANZROSA-N 0 0 341.104 2.414 50 30 EEEARN CC(C)NS(=O)(=O)c1cccc(CNc2ccc(C#N)cn2)c1 ZINC000026708085 463169463 /nfs/dbraw/zinc/16/94/63/463169463.db2.gz LVPJPTFROQUJQQ-UHFFFAOYSA-N 0 0 330.413 2.252 50 30 EEEARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc(C)s1 ZINC000096104848 463174017 /nfs/dbraw/zinc/17/40/17/463174017.db2.gz CCSSJLRFXVGXOJ-CQSZACIVSA-N 0 0 343.408 2.371 50 30 EEEARN CN(C)/C=N/c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1 ZINC000100452326 463373863 /nfs/dbraw/zinc/37/38/63/463373863.db2.gz HPIBBTRLLYUCAF-ODCIPOBUSA-N 0 0 335.293 2.451 50 30 EEEARN CCOCCCNC(=O)C(C#N)=C(O)C=C(C)c1ccc(F)cc1 ZINC000103682065 463405983 /nfs/dbraw/zinc/40/59/83/463405983.db2.gz VKGHFELPNOMXJS-SICOMBFOSA-N 0 0 332.375 2.481 50 30 EEEARN C[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000104055690 463407842 /nfs/dbraw/zinc/40/78/42/463407842.db2.gz XHGRMCOCANZHEW-GXTWGEPZSA-N 0 0 334.335 2.068 50 30 EEEARN CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)C(=O)NC(C)C)c1 ZINC000104055482 463408225 /nfs/dbraw/zinc/40/82/25/463408225.db2.gz KDOMRSGFSVIRFD-MRXNPFEDSA-N 0 0 330.384 2.282 50 30 EEEARN N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCCOC3)C2)c(F)c1 ZINC000109303666 463638708 /nfs/dbraw/zinc/63/87/08/463638708.db2.gz VIIKGRZKQJPOKQ-HUUCEWRRSA-N 0 0 331.391 2.209 50 30 EEEARN C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000005509934 518934452 /nfs/dbraw/zinc/93/44/52/518934452.db2.gz VIYONUGTMVDIJB-UHFFFAOYSA-N 0 0 330.409 2.428 50 30 EEEARN COc1ccc(-c2cnnc(N=NCc3ccc(O)c(O)c3)n2)cc1 ZINC000004351324 523157661 /nfs/dbraw/zinc/15/76/61/523157661.db2.gz RITMRJDYCKPQEK-GIJQJNRQSA-N 0 0 337.339 2.404 50 30 EEEARN COCCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)c(C)c1 ZINC000299782207 523924889 /nfs/dbraw/zinc/92/48/89/523924889.db2.gz SKOXMPXQWRPEPM-AWEZNQCLSA-N 0 0 344.415 2.139 50 30 EEEARN COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 ZINC000004738077 210264341 /nfs/dbraw/zinc/26/43/41/210264341.db2.gz RGZLHGFMIXGYRG-FBJMNJBLSA-N 0 0 329.381 2.452 50 30 EEEARN C=CCn1cc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)c(C)n1 ZINC000055386039 214315167 /nfs/dbraw/zinc/31/51/67/214315167.db2.gz JOYBTGQTFUBTRG-QGZVFWFLSA-N 0 0 328.391 2.190 50 30 EEEARN C=C(C)CN1CCN(C(=O)c2cc3cccc(OC)c3oc2=O)CC1 ZINC000055556978 214329679 /nfs/dbraw/zinc/32/96/79/214329679.db2.gz QKQFGNGDSVITLT-UHFFFAOYSA-N 0 0 342.395 2.136 50 30 EEEARN COc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1OC ZINC000100573082 219101798 /nfs/dbraw/zinc/10/17/98/219101798.db2.gz MKAWJSXWJFAGFT-XSFVSMFZSA-N 0 0 326.400 2.255 50 30 EEEARN N#CCCN(Cc1ccco1)S(=O)(=O)c1cccc2nsnc21 ZINC000004363920 210180400 /nfs/dbraw/zinc/18/04/00/210180400.db2.gz HVWKGEASDAPJKF-UHFFFAOYSA-N 0 0 348.409 2.389 50 30 EEEARN CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1 ZINC000004188107 210142514 /nfs/dbraw/zinc/14/25/14/210142514.db2.gz UOUVJJDZDZIOPU-LFIBNONCSA-N 0 0 348.384 2.291 50 30 EEEARN CC[C@H](c1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o1)N(C)C ZINC000003332128 210009228 /nfs/dbraw/zinc/00/92/28/210009228.db2.gz DMDJTTAZDUTRCJ-IAQYHMDHSA-N 0 0 339.465 2.229 50 30 EEEARN CCCn1c2nc(C(C)C)nc(S[C@@H](C)C#N)c2c(=O)n(C)c1=O ZINC000036810966 213119943 /nfs/dbraw/zinc/11/99/43/213119943.db2.gz AHZSUMBTYLCGNM-JTQLQIEISA-N 0 0 347.444 2.028 50 30 EEEARN NC(N)=NS(=O)(=O)c1ccc(N=Cc2ccccc2Cl)cc1 ZINC000020265450 212114681 /nfs/dbraw/zinc/11/46/81/212114681.db2.gz VMCGGDVMDAVZGD-GIJQJNRQSA-N 0 0 336.804 2.053 50 30 EEEARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(C#N)ccc1F ZINC000010927006 211196401 /nfs/dbraw/zinc/19/64/01/211196401.db2.gz XNEHGKGHKZCHGK-LLVKDONJSA-N 0 0 345.399 2.296 50 30 EEEARN CCOc1cc(/C=C2/SC(=S)N(N)C2=O)ccc1OCC#N ZINC000009235029 211056450 /nfs/dbraw/zinc/05/64/50/211056450.db2.gz NQLCAAYIRSYBDA-XYOKQWHBSA-N 0 0 335.410 2.063 50 30 EEEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCOCC2)n1 ZINC000009157500 211046655 /nfs/dbraw/zinc/04/66/55/211046655.db2.gz NPOIJAGMAVESAN-UHFFFAOYSA-N 0 0 345.346 2.231 50 30 EEEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000019810878 277051271 /nfs/dbraw/zinc/05/12/71/277051271.db2.gz WWTVPUGEDOBCAH-HNNXBMFYSA-N 0 0 332.312 2.329 50 30 EEEARN C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000004192117 277856874 /nfs/dbraw/zinc/85/68/74/277856874.db2.gz JKCQZOMLVXRUMF-QWHCGFSZSA-N 0 0 342.873 2.099 50 30 EEEARN [O-]C(=[NH+]C1CC(C(F)(F)F)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000329697713 465409950 /nfs/dbraw/zinc/40/99/50/465409950.db2.gz FKCHWWREHZSZPH-VOMCLLRMSA-N 0 0 331.342 2.245 50 30 EEEARN O=C(Cn1cccn1)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000085474083 462551775 /nfs/dbraw/zinc/55/17/75/462551775.db2.gz BUPGZZFNBPITRB-UHFFFAOYSA-N 0 0 337.301 2.101 50 30 EEEARN Cc1cccc(-n2nnnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000002651058 462598123 /nfs/dbraw/zinc/59/81/23/462598123.db2.gz ORLQJSLAEPIMNN-INIZCTEOSA-N 0 0 344.444 2.117 50 30 EEEARN CCOc1cc(Br)c(/C=N/NC(N)=S)cc1OCC ZINC000002750137 462601049 /nfs/dbraw/zinc/60/10/49/462601049.db2.gz IEZHYTIDMYREGX-VIZOYTHASA-N 0 0 346.250 2.414 50 30 EEEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1O ZINC000005182972 462647994 /nfs/dbraw/zinc/64/79/94/462647994.db2.gz CQCTYPUVMPWCEJ-UHFFFAOYSA-N 0 0 334.379 2.304 50 30 EEEARN C=C(C)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000007987038 462762063 /nfs/dbraw/zinc/76/20/63/462762063.db2.gz ZGVQSYALVGPSEW-UHFFFAOYSA-N 0 0 326.374 2.334 50 30 EEEARN CCCN(CC#Cc1ccccc1)C(=O)C(=O)Nc1cc(C)on1 ZINC000065387697 462762523 /nfs/dbraw/zinc/76/25/23/462762523.db2.gz QYFOHZRKXDBLGO-UHFFFAOYSA-N 0 0 325.368 2.212 50 30 EEEARN N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009322621 462801137 /nfs/dbraw/zinc/80/11/37/462801137.db2.gz BGOIZFXKKWGRQO-UHFFFAOYSA-N 0 0 341.436 2.210 50 30 EEEARN C#CCN(Cc1ccco1)C(=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000012579120 462858495 /nfs/dbraw/zinc/85/84/95/462858495.db2.gz XSNDKGRQSLJCQN-UHFFFAOYSA-N 0 0 338.342 2.334 50 30 EEEARN C=CCC1(CC=C)CCCN1C(=O)Cn1nnnc1CN(C)C(C)C ZINC000012578161 462858609 /nfs/dbraw/zinc/85/86/09/462858609.db2.gz QESHXNOPPHCNPY-UHFFFAOYSA-N 0 0 346.479 2.027 50 30 EEEARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N ZINC000012640651 462861182 /nfs/dbraw/zinc/86/11/82/462861182.db2.gz VMFLUDSDKZBEAA-LBPRGKRZSA-N 0 0 327.409 2.157 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000012984564 462879015 /nfs/dbraw/zinc/87/90/15/462879015.db2.gz LBMSOCGOMRWQOB-KRWDZBQOSA-N 0 0 346.383 2.460 50 30 EEEARN C=CCn1c(SCCCCCC)nc2c1c(=O)n(C)c(=O)n2C ZINC000013400748 462892049 /nfs/dbraw/zinc/89/20/49/462892049.db2.gz WRFPLHFKDFANEG-UHFFFAOYSA-N 0 0 336.461 2.292 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2[nH]1 ZINC000017304181 462998391 /nfs/dbraw/zinc/99/83/91/462998391.db2.gz XOLVUPUQXMLDAX-UHFFFAOYSA-N 0 0 335.367 2.311 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@H]1CCCO1 ZINC000029161628 463244784 /nfs/dbraw/zinc/24/47/84/463244784.db2.gz JYKLPHOINAMVGR-VXGBXAGGSA-N 0 0 326.356 2.001 50 30 EEEARN N#Cc1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000030133674 463287135 /nfs/dbraw/zinc/28/71/35/463287135.db2.gz WMPDMDDOIARXQQ-UHFFFAOYSA-N 0 0 339.317 2.089 50 30 EEEARN C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000030942908 463318614 /nfs/dbraw/zinc/31/86/14/463318614.db2.gz NAWBNOOKTPXHMP-HNNXBMFYSA-N 0 0 336.395 2.069 50 30 EEEARN N#CCCN(C(=O)COc1ccc(C(N)=O)cc1)c1ccc(F)cc1 ZINC000031673368 463350587 /nfs/dbraw/zinc/35/05/87/463350587.db2.gz UOSSCIVPQKKATJ-UHFFFAOYSA-N 0 0 341.342 2.250 50 30 EEEARN CCOc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 ZINC000032578336 463382075 /nfs/dbraw/zinc/38/20/75/463382075.db2.gz NOURFLUBGGPEAX-YVLHZVERSA-N 0 0 348.380 2.126 50 30 EEEARN O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102798455 463390998 /nfs/dbraw/zinc/39/09/98/463390998.db2.gz SNHOOTVRFDRRMX-IBOXJLQUSA-N 0 0 341.338 2.240 50 30 EEEARN N#CC(C(=O)NCc1ccccc1)=C(O)C=Cc1ccc2c(c1)OCO2 ZINC000103503558 463404108 /nfs/dbraw/zinc/40/41/08/463404108.db2.gz TVFDWZHBCNKNCX-IQIBNGDESA-N 0 0 348.358 2.454 50 30 EEEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc2c1OCC(=O)N2 ZINC000103796101 463405835 /nfs/dbraw/zinc/40/58/35/463405835.db2.gz GOPRDVWBWMOQHP-GFCCVEGCSA-N 0 0 346.346 2.394 50 30 EEEARN Cc1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000106821317 463539883 /nfs/dbraw/zinc/53/98/83/463539883.db2.gz JOGWXASKKPKAHO-CRAIPNDOSA-N 0 0 327.384 2.432 50 30 EEEARN CN(C(=O)CN1CCC(c2cc[nH]n2)CC1)C1(C#N)CCCCC1 ZINC000058227073 463556615 /nfs/dbraw/zinc/55/66/15/463556615.db2.gz GYYVFFDSBGDPDX-UHFFFAOYSA-N 0 0 329.448 2.274 50 30 EEEARN COc1cccc(C=NNc2nc3ccccc3n3cnnc23)c1O ZINC000252680110 464987659 /nfs/dbraw/zinc/98/76/59/464987659.db2.gz WBDRUDFQAILJPA-UHFFFAOYSA-N 0 0 334.339 2.438 50 30 EEEARN N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccc2)cc1 ZINC000223909355 485534222 /nfs/dbraw/zinc/53/42/22/485534222.db2.gz UHEYMMAIGDDVNY-RTBURBONSA-N 0 0 336.391 2.453 50 30 EEEARN C=CCNC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000003550312 518898422 /nfs/dbraw/zinc/89/84/22/518898422.db2.gz QDXQWDYLMLHFLA-UHFFFAOYSA-N 0 0 325.397 2.210 50 30 EEEARN CCCN(CC#Cc1ccccc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000055402063 521524327 /nfs/dbraw/zinc/52/43/27/521524327.db2.gz IVSZVYNYBTZPRW-QGZVFWFLSA-N 0 0 327.428 2.067 50 30 EEEARN COc1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccccc2)cc1OC ZINC000015365497 524584881 /nfs/dbraw/zinc/58/48/81/524584881.db2.gz SDTVNSWHCNGJLF-GFCCVEGCSA-N 0 0 343.383 2.368 50 30 EEEARN CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)c1 ZINC001772814163 1410371008 /nfs/dbraw/zinc/37/10/08/1410371008.db2.gz MIKIOWOCQCQDNO-QGZVFWFLSA-N 0 0 327.424 2.186 50 30 EEEARN CC(C)c1ccc(C#N)c(N2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC001529134292 1121333490 /nfs/dbraw/zinc/33/34/90/1121333490.db2.gz SDVSVMFLPVUFFI-UHFFFAOYSA-N 0 0 343.475 2.113 50 30 EEEARN C=CCOc1ccc(C(=O)NCc2cc(COC)n[nH]2)cc1OCC ZINC000055042221 214266755 /nfs/dbraw/zinc/26/67/55/214266755.db2.gz FCLYZXFDVGEEER-UHFFFAOYSA-N 0 0 345.399 2.450 50 30 EEEARN Cc1nc(C)c(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3oc2=O)o1 ZINC000100869504 219110132 /nfs/dbraw/zinc/11/01/32/219110132.db2.gz YNCVETOBWBGNTP-WDZFZDKYSA-N 0 0 329.268 2.297 50 30 EEEARN N#Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100967969 219112990 /nfs/dbraw/zinc/11/29/90/219112990.db2.gz CQOIPNYHXFJQOD-GASCZTMLSA-N 0 0 325.368 2.062 50 30 EEEARN CCCCN1C(=O)C(C#N)=NN(c2ccc(OC)cc2)[C@H]1OCC ZINC000003772043 210074817 /nfs/dbraw/zinc/07/48/17/210074817.db2.gz QKCNCLZSOKCFGD-KRWDZBQOSA-N 0 0 330.388 2.344 50 30 EEEARN C=CCNC(=O)COC(=O)c1cccnc1Nc1ccccc1F ZINC000003425540 210035719 /nfs/dbraw/zinc/03/57/19/210035719.db2.gz XDTYSFCGJCFPAJ-UHFFFAOYSA-N 0 0 329.331 2.423 50 30 EEEARN COc1nc2ccn(CCCn3nccc3C3CC3)c(=O)c2cc1C#N ZINC000067642061 215171530 /nfs/dbraw/zinc/17/15/30/215171530.db2.gz ZFILSZXPAVPZLY-UHFFFAOYSA-N 0 0 349.394 2.441 50 30 EEEARN N#Cc1ccnc(N2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000067650602 215174289 /nfs/dbraw/zinc/17/42/89/215174289.db2.gz LTCWJGSQGXZUIR-UHFFFAOYSA-N 0 0 344.422 2.393 50 30 EEEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCOCC1 ZINC000032957486 212880314 /nfs/dbraw/zinc/88/03/14/212880314.db2.gz MIHCKNJCFDMYGH-ZDUSSCGKSA-N 0 0 344.440 2.289 50 30 EEEARN Cc1cc(N2CCN(Cc3ccccc3C#N)CC2)n2nccc2n1 ZINC000072424706 216214597 /nfs/dbraw/zinc/21/45/97/216214597.db2.gz KRWPROSEBCIAEH-UHFFFAOYSA-N 0 0 332.411 2.232 50 30 EEEARN N#Cc1ccc(OC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cc1 ZINC000130346289 223146209 /nfs/dbraw/zinc/14/62/09/223146209.db2.gz RDOIWERIINOMFP-XBXARRHUSA-N 0 0 336.347 2.272 50 30 EEEARN CN(Cc1cccc(C#N)c1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000025100851 212459705 /nfs/dbraw/zinc/45/97/05/212459705.db2.gz VWKSQDCVGFUYQE-UHFFFAOYSA-N 0 0 347.374 2.484 50 30 EEEARN C#CCNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000022610018 212310113 /nfs/dbraw/zinc/31/01/13/212310113.db2.gz GFSPAWZNQBBNHQ-UHFFFAOYSA-N 0 0 326.356 2.498 50 30 EEEARN N#Cc1cccc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 ZINC000021624724 212234286 /nfs/dbraw/zinc/23/42/86/212234286.db2.gz ZVASGMTXMXZEPR-ZDUSSCGKSA-N 0 0 349.437 2.211 50 30 EEEARN C=C(C)C[NH+]1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000020718335 212164235 /nfs/dbraw/zinc/16/42/35/212164235.db2.gz DXFWEXAITRLTLI-SFHVURJKSA-N 0 0 343.427 2.496 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 ZINC000008212248 210912131 /nfs/dbraw/zinc/91/21/31/210912131.db2.gz RRXNAEITTOQBIL-UHFFFAOYSA-N 0 0 349.803 2.162 50 30 EEEARN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(N)=O ZINC000006727074 258044469 /nfs/dbraw/zinc/04/44/69/258044469.db2.gz KOSMLJVBWPTHPW-UHFFFAOYSA-N 0 0 332.429 2.237 50 30 EEEARN C=CCNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 ZINC000012917957 258017630 /nfs/dbraw/zinc/01/76/30/258017630.db2.gz XGSKBTSXXYREOO-GFCCVEGCSA-N 0 0 335.477 2.386 50 30 EEEARN COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@@H]4N3)C(=O)C2)cc1 ZINC000009287829 277408177 /nfs/dbraw/zinc/40/81/77/277408177.db2.gz RTXBEJBENSJEGR-HOTGVXAUSA-N 0 0 340.423 2.426 50 30 EEEARN Cc1c(C#N)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc1C(N)=O ZINC000002763446 462601534 /nfs/dbraw/zinc/60/15/34/462601534.db2.gz RJMLMYSKLRSYNV-UHFFFAOYSA-N 0 0 344.352 2.117 50 30 EEEARN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000114673414 462668476 /nfs/dbraw/zinc/66/84/76/462668476.db2.gz ZPNMZFPABHANOT-UHFFFAOYSA-N 0 0 349.799 2.420 50 30 EEEARN COc1ccc(NC(=O)c2ccc(C#N)cc2)cc1NS(C)(=O)=O ZINC000012822388 462871162 /nfs/dbraw/zinc/87/11/62/462871162.db2.gz YDZXPRNVHVHHSV-UHFFFAOYSA-N 0 0 345.380 2.191 50 30 EEEARN CC1CCN(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 ZINC000013097988 462884560 /nfs/dbraw/zinc/88/45/60/462884560.db2.gz SMWQBDUEIUZVEP-SFHVURJKSA-N 0 0 326.400 2.015 50 30 EEEARN N#Cc1ccc(C(=O)CSc2n[nH]c(=O)n2Cc2ccco2)cc1 ZINC000015923259 462966265 /nfs/dbraw/zinc/96/62/65/462966265.db2.gz DBOJQFMDIPILIC-UHFFFAOYSA-N 0 0 340.364 2.059 50 30 EEEARN N#Cc1c(NC(=O)CN2CCC(O)CC2)sc2c1CCCCC2 ZINC000023993192 463075589 /nfs/dbraw/zinc/07/55/89/463075589.db2.gz WAPNSOGSKRKRMZ-UHFFFAOYSA-N 0 0 333.457 2.284 50 30 EEEARN C#CCn1c2c(cccc2F)s/c1=N/C(=O)c1ccnn1CC ZINC000101064523 463376553 /nfs/dbraw/zinc/37/65/53/463376553.db2.gz DFYOXBAHXVITBQ-KNTRCKAVSA-N 0 0 328.372 2.433 50 30 EEEARN CCN(CCc1nccs1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000124973812 463486378 /nfs/dbraw/zinc/48/63/78/463486378.db2.gz AUGPPSODUCLVJG-UHFFFAOYSA-N 0 0 328.397 2.044 50 30 EEEARN CCN1CCN(C(=O)CC2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000108847159 463625955 /nfs/dbraw/zinc/62/59/55/463625955.db2.gz SCUDWMGYNRHEEV-UHFFFAOYSA-N 0 0 340.471 2.329 50 30 EEEARN C#Cc1ccc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000020781700 518359592 /nfs/dbraw/zinc/35/95/92/518359592.db2.gz BHLIWGMRMOADDY-QFIPXVFZSA-N 0 0 349.478 2.440 50 30 EEEARN CCCCOCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009547 520745192 /nfs/dbraw/zinc/74/51/92/520745192.db2.gz JUAQZMLWWWUXPN-UHFFFAOYSA-N 0 0 328.416 2.282 50 30 EEEARN Cc1cc(C)c(OCC(=O)OCC(=O)NC2(C#N)CCCC2)c(C)c1 ZINC000006552030 524309018 /nfs/dbraw/zinc/30/90/18/524309018.db2.gz JOBZALDKXGFULV-UHFFFAOYSA-N 0 0 344.411 2.486 50 30 EEEARN C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@@H]1O)C2(C)C ZINC000822218742 1368092141 /nfs/dbraw/zinc/09/21/41/1368092141.db2.gz SDBITTRHSROXCY-JEGNEPSBSA-N 0 0 334.456 2.233 50 30 EEEARN Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)n1 ZINC000952965517 796085744 /nfs/dbraw/zinc/08/57/44/796085744.db2.gz DFBHRRIZGMPLFZ-HNNXBMFYSA-N 0 0 341.411 2.303 50 30 EEEARN C=CCn1nns/c1=N/CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004531316 210215376 /nfs/dbraw/zinc/21/53/76/210215376.db2.gz QWHDQBCONDNZSQ-SFQUDFHCSA-N 0 0 343.334 2.084 50 30 EEEARN N#Cc1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1CCCC2 ZINC000004392493 210187022 /nfs/dbraw/zinc/18/70/22/210187022.db2.gz PJJSTKHBSBBAPZ-JTQLQIEISA-N 0 0 338.454 2.262 50 30 EEEARN CCCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nnnn21 ZINC000004368781 210180734 /nfs/dbraw/zinc/18/07/34/210180734.db2.gz CADQBJNINOJPCE-INIZCTEOSA-N 0 0 325.372 2.484 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc(C)c1 ZINC000004099506 210119243 /nfs/dbraw/zinc/11/92/43/210119243.db2.gz MQFJELARWFGEHX-KFNAQCHYSA-N 0 0 327.380 2.251 50 30 EEEARN O=C(c1cccs1)C1=C(O)C(=O)OC12C(=O)c1ccccc1C2=O ZINC000066088206 215008506 /nfs/dbraw/zinc/00/85/06/215008506.db2.gz MSZBZPJJVINFLR-UHFFFAOYSA-N 0 0 340.312 2.118 50 30 EEEARN N#Cc1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000003592859 210060818 /nfs/dbraw/zinc/06/08/18/210060818.db2.gz FDEZTNBYOYYONB-UHFFFAOYSA-N 0 0 340.383 2.142 50 30 EEEARN CSc1ncccc1C(=O)OCC(=O)Nc1ccccc1C#N ZINC000003235581 209984954 /nfs/dbraw/zinc/98/49/54/209984954.db2.gz QIMMAUOZHDOJKE-UHFFFAOYSA-N 0 0 327.365 2.471 50 30 EEEARN C[C@@H]1Cc2cc(Cn3ccc4nc(O)c(C#N)cc4c3=O)ccc2O1 ZINC000067907907 215247322 /nfs/dbraw/zinc/24/73/22/215247322.db2.gz VENJIVNUQBLGRH-LLVKDONJSA-N 0 0 333.347 2.345 50 30 EEEARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(C#N)c1 ZINC000040478710 213314074 /nfs/dbraw/zinc/31/40/74/213314074.db2.gz UKDLPRDVILNXAH-UHFFFAOYSA-N 0 0 332.363 2.469 50 30 EEEARN Cc1cc(C(F)(F)F)nn1CC(=N)NOC(=O)c1ccoc1C ZINC000036612496 213101652 /nfs/dbraw/zinc/10/16/52/213101652.db2.gz IWDGRMLCHAVSPD-UHFFFAOYSA-N 0 0 330.266 2.241 50 30 EEEARN O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)C31CC1 ZINC000000064269 209397440 /nfs/dbraw/zinc/39/74/40/209397440.db2.gz MDGVFZYSSMDXTB-WPTVKGRQSA-N 0 0 337.335 2.126 50 30 EEEARN Cn1cc([C@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@H](O)C2)cn1 ZINC000223186985 241611178 /nfs/dbraw/zinc/61/11/78/241611178.db2.gz SYJIBEQPRSFZCX-RPVQJOFSSA-N 0 0 337.427 2.490 50 30 EEEARN C=CCN[C@](NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000020533527 212144658 /nfs/dbraw/zinc/14/46/58/212144658.db2.gz VCAYZSRXODIMPV-AWEZNQCLSA-N 0 0 330.306 2.014 50 30 EEEARN CS(=O)(=O)c1cccc(C(=O)OCc2cc(C#N)ccc2F)c1 ZINC000011836358 211254471 /nfs/dbraw/zinc/25/44/71/211254471.db2.gz NNIZTDGZQZKJMR-UHFFFAOYSA-N 0 0 333.340 2.458 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1cc(C)cn1)CC2 ZINC000091933166 218090262 /nfs/dbraw/zinc/09/02/62/218090262.db2.gz VFNZDBOSKPXIPK-INIZCTEOSA-N 0 0 344.459 2.170 50 30 EEEARN COCCn1ccnc1[C@@H]1CCCN(c2ccnc(OC)c2C#N)C1 ZINC000091964984 218095748 /nfs/dbraw/zinc/09/57/48/218095748.db2.gz JFXVCNYWMREGRU-CQSZACIVSA-N 0 0 341.415 2.189 50 30 EEEARN C=CCNC(=O)c1cn(CCC)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661498 211112557 /nfs/dbraw/zinc/11/25/57/211112557.db2.gz UMYARWQMPLUXJQ-UHFFFAOYSA-N 0 0 336.395 2.465 50 30 EEEARN C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)CO)c(=O)oc2c1 ZINC000008764697 211002757 /nfs/dbraw/zinc/00/27/57/211002757.db2.gz UPJQGTKEDFWMRY-LBPRGKRZSA-N 0 0 345.395 2.096 50 30 biogenic EEEARN CCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000095897386 218449296 /nfs/dbraw/zinc/44/92/96/218449296.db2.gz HHWFSLCLENXKAR-UHFFFAOYSA-N 0 0 347.463 2.384 50 30 EEEARN CCOc1ccc(NC(=O)N2CCN(CCSC)CC2)cc1C#N ZINC000299794291 258099395 /nfs/dbraw/zinc/09/93/95/258099395.db2.gz ISRXPDVSRZQWNW-UHFFFAOYSA-N 0 0 348.472 2.469 50 30 EEEARN CCOc1ccc(NC(=O)N2CCO[C@H](CCOC)C2)cc1C#N ZINC000299762460 258079289 /nfs/dbraw/zinc/07/92/89/258079289.db2.gz WZCMRBZWWMIJQZ-OAHLLOKOSA-N 0 0 333.388 2.226 50 30 EEEARN C/N=C1\S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C ZINC000015013595 135706636 /nfs/dbraw/zinc/70/66/36/135706636.db2.gz NPTDQXSUQZRHQJ-MNTGGVIJSA-N 0 0 335.404 2.194 50 30 EEEARN Cc1cccc2c1ncn(CC(=O)OCc1ccc(C#N)cc1)c2=O ZINC000018397377 264012099 /nfs/dbraw/zinc/01/20/99/264012099.db2.gz TXSRWKJCHJQVGL-UHFFFAOYSA-N 0 0 333.347 2.320 50 30 EEEARN C=CCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000012992951 277873683 /nfs/dbraw/zinc/87/36/83/277873683.db2.gz AGNBCDLPSVXPJX-SFHVURJKSA-N 0 0 328.368 2.103 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCOC[C@@H]3C)sc2C1 ZINC000026451073 278386619 /nfs/dbraw/zinc/38/66/19/278386619.db2.gz BVUVBEGZQGRPAK-RYUDHWBXSA-N 0 0 333.457 2.404 50 30 EEEARN CCOC(=O)[C@H]1C(=O)C=C(N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000000227646 462550359 /nfs/dbraw/zinc/55/03/59/462550359.db2.gz GNBGVXYUAWIXRL-SJLPKXTDSA-N 0 0 329.396 2.138 50 30 EEEARN COc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 ZINC000000422029 462561997 /nfs/dbraw/zinc/56/19/97/462561997.db2.gz HPNZMLWNXDMRDE-UHFFFAOYSA-N 0 0 343.408 2.066 50 30 EEEARN C=CCN1C(=O)N[C@@H]2c3cccc(OCC)c3O[C@@]1(C)[C@H]2C(=O)OC ZINC000000481115 462566620 /nfs/dbraw/zinc/56/66/20/462566620.db2.gz YGPQEPIZTCXYKS-LBTNJELSSA-N 0 0 346.383 2.235 50 30 EEEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2c(C)n[nH]c2C)C1=O ZINC000000565344 462570821 /nfs/dbraw/zinc/57/08/21/462570821.db2.gz XSRVNHCPDFJRHP-GOSISDBHSA-N 0 0 325.368 2.020 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccc(C)cc2C)c(=O)c1C#N ZINC000000583004 462571475 /nfs/dbraw/zinc/57/14/75/462571475.db2.gz IRWMVBGIBFRCOZ-UHFFFAOYSA-N 0 0 339.395 2.430 50 30 EEEARN CSc1nc(N)c(C#N)c(SCC(=O)OCc2ccccc2)n1 ZINC000002765431 462601746 /nfs/dbraw/zinc/60/17/46/462601746.db2.gz VHSWFGMPZKLMRK-UHFFFAOYSA-N 0 0 346.437 2.488 50 30 EEEARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)CCC#N)cc1 ZINC000003252658 462613711 /nfs/dbraw/zinc/61/37/11/462613711.db2.gz DUBXKTTUYXIUKP-INIZCTEOSA-N 0 0 342.399 2.227 50 30 EEEARN N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000003329777 462615757 /nfs/dbraw/zinc/61/57/57/462615757.db2.gz JMVPOUOELRPFRA-UHFFFAOYSA-N 0 0 343.408 2.196 50 30 EEEARN N#Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 ZINC000005342619 462655870 /nfs/dbraw/zinc/65/58/70/462655870.db2.gz IQEAIFMCRCNMNE-LJQANCHMSA-N 0 0 333.347 2.288 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1cccs1 ZINC000075156026 462688325 /nfs/dbraw/zinc/68/83/25/462688325.db2.gz OMRVAAHGPWVLDQ-LBPRGKRZSA-N 0 0 349.799 2.061 50 30 EEEARN COc1cccc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)c1O ZINC000009476979 462803525 /nfs/dbraw/zinc/80/35/25/462803525.db2.gz VYNDNPJQWGFZPS-RAXLEYEMSA-N 0 0 345.376 2.259 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000009470246 462803607 /nfs/dbraw/zinc/80/36/07/462803607.db2.gz FWXQHJDHTPKWGC-QFBILLFUSA-N 0 0 328.460 2.252 50 30 EEEARN C=C(C)Cn1c(=O)c2c(nc3n2cc(C)n3[C@@H](C)CC)n(C)c1=O ZINC000010103897 462813518 /nfs/dbraw/zinc/81/35/18/462813518.db2.gz TWZUJBHVLAFOHF-NSHDSACASA-N 0 0 329.404 2.005 50 30 EEEARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccc4c(c3)OCCO4)C12 ZINC000012409450 462853525 /nfs/dbraw/zinc/85/35/25/462853525.db2.gz QIJWUMSUQZHLKF-OAHLLOKOSA-N 0 0 340.339 2.427 50 30 EEEARN Cc1cc(N[C@@H]2CCS(=O)(=O)C2)n2c3ccccc3nc2c1C#N ZINC000012520086 462854522 /nfs/dbraw/zinc/85/45/22/462854522.db2.gz OSQJUBHXZWIHRW-GFCCVEGCSA-N 0 0 340.408 2.267 50 30 EEEARN N#Cc1c2c(sc1NC(=O)Cn1cnc([N+](=O)[O-])c1)CCCC2 ZINC000013233711 462887656 /nfs/dbraw/zinc/88/76/56/462887656.db2.gz SKVVTJFLDTUUCZ-UHFFFAOYSA-N 0 0 331.357 2.242 50 30 EEEARN Cc1ccccc1-n1c(S[C@@H](C)C#N)nnc1N1CCOCC1 ZINC000017840365 463002672 /nfs/dbraw/zinc/00/26/72/463002672.db2.gz SOQIIEQZEHTKEY-ZDUSSCGKSA-N 0 0 329.429 2.417 50 30 EEEARN COC(=O)c1ccc(CCNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000029577557 463263144 /nfs/dbraw/zinc/26/31/44/463263144.db2.gz XJKYTPYSOIRCOP-UHFFFAOYSA-N 0 0 338.363 2.083 50 30 EEEARN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1 ZINC000033040248 463409550 /nfs/dbraw/zinc/40/95/50/463409550.db2.gz FIZGIIHAQQLSTG-OAHLLOKOSA-N 0 0 335.411 2.102 50 30 EEEARN N#CC(C(=O)NCc1ccccc1)=C(O)C=Cc1ccc2c(c1)OCO2 ZINC000104257546 463410495 /nfs/dbraw/zinc/41/04/95/463410495.db2.gz TVFDWZHBCNKNCX-IOBAAEILSA-N 0 0 348.358 2.454 50 30 EEEARN CN(C)c1cccc(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)c1 ZINC000082155599 463520002 /nfs/dbraw/zinc/52/00/02/463520002.db2.gz DCFBBNKFUVUSMA-UHFFFAOYSA-N 0 0 348.406 2.113 50 30 EEEARN CCN(CC(=O)NCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106632239 463528040 /nfs/dbraw/zinc/52/80/40/463528040.db2.gz BSYPXJFJGHGFSR-AEFFLSMTSA-N 0 0 328.460 2.174 50 30 EEEARN C(=N/N=C(c1ccccc1)C12CN3CN(CN(C3)C1)C2)\c1ccccc1 ZINC000252320779 464955030 /nfs/dbraw/zinc/95/50/30/464955030.db2.gz RAOSYXXKAGSZAU-RPOPQVCSSA-N 0 0 345.450 2.316 50 30 EEEARN Cc1cccc(OCC(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005092640 524722116 /nfs/dbraw/zinc/72/21/16/524722116.db2.gz FVGDEBVWYMQYMR-UHFFFAOYSA-N 0 0 329.312 2.146 50 30 EEEARN N=C(NOC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000005059977 526808142 /nfs/dbraw/zinc/80/81/42/526808142.db2.gz HOBJQBNVKJSVOR-UHFFFAOYSA-N 0 0 349.730 2.491 50 30 EEEARN C=CCCC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000606440929 795559167 /nfs/dbraw/zinc/55/91/67/795559167.db2.gz WDMBNUBFDQQAEK-LLVKDONJSA-N 0 0 326.194 2.185 50 30 EEEARN CC(C)(O)C#Cc1cccc(-c2nc(-c3ccco3)nn2CCO)c1 ZINC000952866563 796070456 /nfs/dbraw/zinc/07/04/56/796070456.db2.gz CIDLSQTYLAJIIA-UHFFFAOYSA-N 0 0 337.379 2.320 50 30 EEEARN CC(C)(O)C#Cc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000824864189 800297664 /nfs/dbraw/zinc/29/76/64/800297664.db2.gz MDYOIOYOJKWVCO-SFHVURJKSA-N 0 0 349.496 2.066 50 30 EEEARN Cc1n[nH]c(C)c1CCNC(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000828172168 800619866 /nfs/dbraw/zinc/61/98/66/800619866.db2.gz GUMZUIUMPJBYLP-UHFFFAOYSA-N 0 0 325.412 2.121 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2cccc(C)c2)c(=O)c1C#N ZINC000004593478 210228774 /nfs/dbraw/zinc/22/87/74/210228774.db2.gz GGZQTYWSMSBEGV-UHFFFAOYSA-N 0 0 325.368 2.122 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000004113713 210123525 /nfs/dbraw/zinc/12/35/25/210123525.db2.gz KFPYQGUSASACNJ-HNNXBMFYSA-N 0 0 332.356 2.061 50 30 EEEARN C=CCN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C ZINC000004070228 210111793 /nfs/dbraw/zinc/11/17/93/210111793.db2.gz KHZBWYUHQOZIDO-AWEZNQCLSA-N 0 0 331.328 2.294 50 30 EEEARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1C#N ZINC000003541751 210050929 /nfs/dbraw/zinc/05/09/29/210050929.db2.gz OLNJYVKVGYJSGH-UHFFFAOYSA-N 0 0 340.358 2.206 50 30 EEEARN N#Cc1c2n3c(nn2c(=O)c2c(=O)oc4ccccc4c12)CCCCC3 ZINC000003308482 210003256 /nfs/dbraw/zinc/00/32/56/210003256.db2.gz MQGVFSISODEARV-UHFFFAOYSA-N 0 0 346.346 2.354 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O ZINC000001145953 209712905 /nfs/dbraw/zinc/71/29/05/209712905.db2.gz ZVHHKTFUCHSXCK-NTUHNPAUSA-N 0 0 348.336 2.282 50 30 EEEARN C=CCn1cnc2c1c(=O)n(CC)c(=O)n2-c1cccc(Cl)c1 ZINC000037559207 213157220 /nfs/dbraw/zinc/15/72/20/213157220.db2.gz FWPLTJFPNKRTDF-UHFFFAOYSA-N 0 0 330.775 2.208 50 30 EEEARN C=CCN(C(=O)c1ccnn1C)c1nc(C)c(C(=O)OCC)s1 ZINC000036613076 213101693 /nfs/dbraw/zinc/10/16/93/213101693.db2.gz NRPMOEVBQLFLOK-UHFFFAOYSA-N 0 0 334.401 2.195 50 30 EEEARN CN1C[C@]2(CCCN(C(=O)c3cc(F)cc(C#N)c3)CC2)OC1=O ZINC000072140368 216027972 /nfs/dbraw/zinc/02/79/72/216027972.db2.gz QJLNATMVMHOGSK-QGZVFWFLSA-N 0 0 331.347 2.144 50 30 EEEARN COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2ccc(Cl)cc2)c1 ZINC000031805112 212749024 /nfs/dbraw/zinc/74/90/24/212749024.db2.gz VSSXFQUERKZCNC-UHFFFAOYSA-N 0 0 330.727 2.043 50 30 EEEARN CCN1C[C@]2(CCCN(C(=O)c3ccccc3C#N)C2)CCC1=O ZINC000072430075 216222749 /nfs/dbraw/zinc/22/27/49/216222749.db2.gz UAIDRXINIHZFDS-IBGZPJMESA-N 0 0 325.412 2.423 50 30 EEEARN N#Cc1ccc(N2CCN(c3cc([C@H]4CCOC4)ncn3)CC2)cc1 ZINC000426726903 241329694 /nfs/dbraw/zinc/32/96/94/241329694.db2.gz PEIHMJYPOWPKOX-INIZCTEOSA-N 0 0 335.411 2.179 50 30 EEEARN C=CCOc1cccc(CN2CCn3nc(CNC(C)=O)cc3C2)c1 ZINC000082121078 217471447 /nfs/dbraw/zinc/47/14/47/217471447.db2.gz KORDJIJBVJPICI-UHFFFAOYSA-N 0 0 340.427 2.100 50 30 EEEARN N#Cc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000011988636 211275991 /nfs/dbraw/zinc/27/59/91/211275991.db2.gz VPHLBAATSBQUFZ-UHFFFAOYSA-N 0 0 337.354 2.484 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)CCc2[nH]nc3c2CCCC3)C1 ZINC000091586421 218025841 /nfs/dbraw/zinc/02/58/41/218025841.db2.gz GKESNTPISUAWEM-LJQANCHMSA-N 0 0 331.460 2.398 50 30 EEEARN COc1ccc(NC(C)=O)cc1NCC(=O)NC1(C#N)CCCC1 ZINC000011620363 211227018 /nfs/dbraw/zinc/22/70/18/211227018.db2.gz BJVGBEKLPKWVLK-UHFFFAOYSA-N 0 0 330.388 2.018 50 30 EEEARN O=C1Nc2c(cc(F)cc2Br)C1=NN1CCOCC1 ZINC000022356072 285243425 /nfs/dbraw/zinc/24/34/25/285243425.db2.gz RHKPBXPUEIOBJX-UHFFFAOYSA-N 0 0 328.141 2.226 50 30 EEEARN CCOc1cc(/C=N/n2cnnc2-n2nc(C)cc2C)ccc1O ZINC000000089765 462541948 /nfs/dbraw/zinc/54/19/48/462541948.db2.gz HEHBKGBFOOCIDA-GIJQJNRQSA-N 0 0 326.360 2.067 50 30 EEEARN CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1O ZINC000000291405 462552316 /nfs/dbraw/zinc/55/23/16/462552316.db2.gz QOAPTLVPELBKDD-GFCCVEGCSA-N 0 0 325.162 2.372 50 30 EEEARN COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000000381127 462558359 /nfs/dbraw/zinc/55/83/59/462558359.db2.gz ZZYZZVGEHAGCKI-GOEBONIOSA-N 0 0 331.368 2.159 50 30 EEEARN CC(=O)O/N=C(/C)c1ncc(C(F)(F)F)cc1N1CCOCC1 ZINC000001395218 462581804 /nfs/dbraw/zinc/58/18/04/462581804.db2.gz IIGWDIUTCNZWRE-OCKHKDLRSA-N 0 0 331.294 2.224 50 30 EEEARN C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000002059287 462589483 /nfs/dbraw/zinc/58/94/83/462589483.db2.gz UBGJANQPUKGGJH-INIZCTEOSA-N 0 0 346.383 2.403 50 30 EEEARN Cc1cc(=O)c(C(=O)OCC#N)nn1-c1cccc(C(F)(F)F)c1 ZINC000005296282 462655081 /nfs/dbraw/zinc/65/50/81/462655081.db2.gz SJUWALDMCOYOLQ-UHFFFAOYSA-N 0 0 337.257 2.240 50 30 EEEARN Cc1sc2ncn(CC(=O)NC3(C#N)CCCC3)c(=O)c2c1C ZINC000005319474 462655128 /nfs/dbraw/zinc/65/51/28/462655128.db2.gz YMRSRQUUOYAEIR-UHFFFAOYSA-N 0 0 330.413 2.027 50 30 EEEARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000005450114 462659880 /nfs/dbraw/zinc/65/98/80/462659880.db2.gz BKUVSYMNSILIGS-IBGZPJMESA-N 0 0 349.346 2.254 50 30 EEEARN CN1CCc2c(sc(/N=C/c3nc4ccccc4[nH]3)c2C(N)=O)C1 ZINC000005634248 462665568 /nfs/dbraw/zinc/66/55/68/462665568.db2.gz VRBGRBHWBBVTDH-UFWORHAWSA-N 0 0 339.424 2.462 50 30 EEEARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1ccccc1C#N ZINC000007004275 462716644 /nfs/dbraw/zinc/71/66/44/462716644.db2.gz CQNJJFGUVGHYNW-ZIAGYGMSSA-N 0 0 330.384 2.270 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CSCC3=O)sc2C1 ZINC000007718909 462747690 /nfs/dbraw/zinc/74/76/90/462747690.db2.gz LDKWDMNHEMSYGY-SECBINFHSA-N 0 0 335.454 2.216 50 30 EEEARN C#CCN(CC=C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2 ZINC000065503218 462783509 /nfs/dbraw/zinc/78/35/09/462783509.db2.gz KPVTUGONPVOUDS-UHFFFAOYSA-N 0 0 334.423 2.160 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000008708735 462791769 /nfs/dbraw/zinc/79/17/69/462791769.db2.gz OGXWFQJCTVLACD-UHFFFAOYSA-N 0 0 345.399 2.208 50 30 EEEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ncc[nH]1 ZINC000012348428 462851617 /nfs/dbraw/zinc/85/16/17/462851617.db2.gz RHWCERSDQPBOTD-HNNXBMFYSA-N 0 0 347.378 2.453 50 30 EEEARN COc1ccccc1-c1cc(Cn2nc(C)c(C)c(C#N)c2=O)on1 ZINC000024877295 463100338 /nfs/dbraw/zinc/10/03/38/463100338.db2.gz JLALSQOCQFUWHT-UHFFFAOYSA-N 0 0 336.351 2.444 50 30 EEEARN N#CCC[C@H](C#N)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000028921585 463237862 /nfs/dbraw/zinc/23/78/62/463237862.db2.gz QSBMNGORQDLPTF-CQSZACIVSA-N 0 0 328.391 2.463 50 30 EEEARN N#Cc1nc(C2CC2)oc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000029226974 463248417 /nfs/dbraw/zinc/24/84/17/463248417.db2.gz OVANAUUBDQDYPO-QGZVFWFLSA-N 0 0 338.411 2.279 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000032859967 463399248 /nfs/dbraw/zinc/39/92/48/463399248.db2.gz PJRWATXBRMYCLM-GOSISDBHSA-N 0 0 329.400 2.247 50 30 EEEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C#CCO)cc1 ZINC000071738796 463419494 /nfs/dbraw/zinc/41/94/94/463419494.db2.gz NKWOFJBDTUBJJE-UHFFFAOYSA-N 0 0 343.390 2.255 50 30 EEEARN Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3C=C[C@@H]4[C@H](O)[C@H]5C=C[C@H]2[C@@H]5[C@H]34)cc1 ZINC000257359132 463788977 /nfs/dbraw/zinc/78/89/77/463788977.db2.gz YOVMTSGKEVCVEO-BKSMAAMTSA-N 0 0 344.432 2.294 50 30 EEEARN C=CCc1ccc(OCCSc2nc(N)cc(=O)[nH]2)c(OC)c1 ZINC000016527219 519138797 /nfs/dbraw/zinc/13/87/97/519138797.db2.gz XRKYOSAKSAKLAR-UHFFFAOYSA-N 0 0 333.413 2.260 50 30 EEEARN CCc1ccc(OCC(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018093574 524005947 /nfs/dbraw/zinc/00/59/47/524005947.db2.gz FVPXWSLTRPIQJB-UHFFFAOYSA-N 0 0 343.339 2.400 50 30 EEEARN N#Cc1cc2c(nc1N1CC(Cn3nc(C4CC4)ccc3=O)C1)CCC2 ZINC000585602936 792888548 /nfs/dbraw/zinc/88/85/48/792888548.db2.gz RSKCNSBKGWELJH-UHFFFAOYSA-N 0 0 347.422 2.012 50 30 EEEARN C=CCN(Cc1ccc(C)s1)S(=O)(=O)c1cn(C)c(C)n1 ZINC000952961220 796077996 /nfs/dbraw/zinc/07/79/96/796077996.db2.gz YZNUOOGMFXNLQP-UHFFFAOYSA-N 0 0 325.459 2.475 50 30 EEEARN N#Cc1cc2n(n1)CCCN(Cc1cnn(-c3ccccc3F)c1)C2 ZINC000826805761 800421324 /nfs/dbraw/zinc/42/13/24/800421324.db2.gz WZNLFGGFIYYCOX-UHFFFAOYSA-N 0 0 336.374 2.485 50 30 EEEARN C=CCOc1cccc(CN(CC)C(=O)c2nc3ncccn3n2)c1 ZINC000063870699 214773796 /nfs/dbraw/zinc/77/37/96/214773796.db2.gz GBBQWFGLSRWZFM-UHFFFAOYSA-N 0 0 337.383 2.351 50 30 EEEARN CC(N[C@H](CO)Cc1ccc(O)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000100229590 219094839 /nfs/dbraw/zinc/09/48/39/219094839.db2.gz RHXVDCUWFNYICS-AWEZNQCLSA-N 0 0 331.412 2.117 50 30 EEEARN CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000129020212 530033863 /nfs/dbraw/zinc/03/38/63/530033863.db2.gz BMAVBOPNXWUWEX-GFCCVEGCSA-N 0 0 335.212 2.297 50 30 EEEARN COc1ccc(CNC(=O)COc2cccc(C#N)c2)cc1OC ZINC000003434281 210038404 /nfs/dbraw/zinc/03/84/04/210038404.db2.gz IQGDCPBCSDRHKR-UHFFFAOYSA-N 0 0 326.352 2.271 50 30 EEEARN CN(CCCn1ccc2[nH]c(=O)c(C#N)cc2c1=O)c1ccccc1 ZINC000067561003 215162629 /nfs/dbraw/zinc/16/26/29/215162629.db2.gz WNLRNBAPUPXUQY-UHFFFAOYSA-N 0 0 334.379 2.088 50 30 EEEARN N#Cc1cccc(N2CCc3nnc(CCc4ccccc4)n3CC2)n1 ZINC000067587552 215164018 /nfs/dbraw/zinc/16/40/18/215164018.db2.gz VTBGPUZQRSBTJQ-UHFFFAOYSA-N 0 0 344.422 2.393 50 30 EEEARN O=C(N/C=N/O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 ZINC000003128483 209968425 /nfs/dbraw/zinc/96/84/25/209968425.db2.gz SKDGCMIKFAEUOX-UHFFFAOYSA-N 0 0 325.299 2.277 50 30 EEEARN COc1cccc(C[C@H]2CN(c3ccnc(OC)c3C#N)CCO2)c1 ZINC000071748600 215804796 /nfs/dbraw/zinc/80/47/96/215804796.db2.gz ULLYKXNWZURNRW-INIZCTEOSA-N 0 0 339.395 2.418 50 30 EEEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)c(OC)c1 ZINC000000222592 209494312 /nfs/dbraw/zinc/49/43/12/209494312.db2.gz GYIURBTTYXIOKU-INIZCTEOSA-N 0 0 326.356 2.317 50 30 EEEARN CCCOc1ccc(C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 ZINC000012601192 211421040 /nfs/dbraw/zinc/42/10/40/211421040.db2.gz SOIKJIKBIWZUEY-UHFFFAOYSA-N 0 0 327.388 2.015 50 30 EEEARN C=CC[C@]1(CO)CCCN(S(=O)(=O)c2cccc(OC)c2)C1 ZINC000092098863 218119091 /nfs/dbraw/zinc/11/90/91/218119091.db2.gz UUZGEFSPFQYNDH-INIZCTEOSA-N 0 0 325.430 2.035 50 30 EEEARN COc1cc(OC)cc(C(=O)O/N=C2\c3ccccc3N(C)C2=O)c1 ZINC000005074108 210384926 /nfs/dbraw/zinc/38/49/26/210384926.db2.gz OWDZXMBBDJCZTG-KNTRCKAVSA-N 0 0 340.335 2.241 50 30 EEEARN C=CCN1C(=O)N[C@@H]2c3cccc(OCC)c3O[C@@]1(C)[C@@H]2C(=O)OC ZINC000000984653 258017017 /nfs/dbraw/zinc/01/70/17/258017017.db2.gz YGPQEPIZTCXYKS-IYOUNJFTSA-N 0 0 346.383 2.235 50 30 EEEARN CCOC(=O)C1=C(N)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000005248499 285671824 /nfs/dbraw/zinc/67/18/24/285671824.db2.gz FWKXYLKTLDUTRM-CQSZACIVSA-N 0 0 341.411 2.145 50 30 EEEARN COc1cccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)c1 ZINC000004518348 278008976 /nfs/dbraw/zinc/00/89/76/278008976.db2.gz SUMRRZNMIRDCBG-UHFFFAOYSA-N 0 0 344.396 2.143 50 30 EEEARN COc1ncc(-c2c(C#N)c(N)nc3c2CCc2cc(O)ccc2-3)cn1 ZINC000071712117 278087146 /nfs/dbraw/zinc/08/71/46/278087146.db2.gz VHOXVLDCLXXBEN-UHFFFAOYSA-N 0 0 345.362 2.472 50 30 EEEARN Cc1cc(N2c3ncccc3S(=O)(=O)N(CC#N)C2=O)ccc1F ZINC000049420983 278719671 /nfs/dbraw/zinc/71/96/71/278719671.db2.gz YADJVEJIPUIWIB-UHFFFAOYSA-N 0 0 346.343 2.315 50 30 EEEARN COc1cc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)ccc1O ZINC000001429567 295020249 /nfs/dbraw/zinc/02/02/49/295020249.db2.gz RBOXPDYRAXWZAE-LBPRGKRZSA-N 0 0 330.384 2.200 50 30 EEEARN COC(=O)C(C#N)=C(c1ccc(O)cc1)C1C(=O)CC(C)(C)CC1=O ZINC000000032885 462539857 /nfs/dbraw/zinc/53/98/57/462539857.db2.gz LJIDEIIKTAZZTL-CYBMUJFWSA-N 0 0 341.363 2.417 50 30 EEEARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N=C1NCCS1 ZINC000000187635 462546251 /nfs/dbraw/zinc/54/62/51/462546251.db2.gz CUWODHBBPBKZFO-GFCCVEGCSA-N 0 0 339.848 2.313 50 30 EEEARN CC(C)[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)C(=O)N1CCOCC1 ZINC000127580192 462565784 /nfs/dbraw/zinc/56/57/84/462565784.db2.gz JRRLPSRQBLHHEB-QPIRBTGLSA-N 0 0 341.455 2.083 50 30 EEEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2cccc(OC)c2)C1=O ZINC000000565181 462570545 /nfs/dbraw/zinc/57/05/45/462570545.db2.gz PCUNJFMVQVOUQU-FQEVSTJZSA-N 0 0 335.359 2.136 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2c(C)cccc2C)c(=O)c1C#N ZINC000000582999 462570977 /nfs/dbraw/zinc/57/09/77/462570977.db2.gz BTQNRLPDPOAICZ-UHFFFAOYSA-N 0 0 339.395 2.430 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccccc2C)c(=O)c1C#N ZINC000000583008 462571191 /nfs/dbraw/zinc/57/11/91/462571191.db2.gz XLUDIRCCDRWHOC-UHFFFAOYSA-N 0 0 325.368 2.122 50 30 EEEARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000002779583 462602380 /nfs/dbraw/zinc/60/23/80/462602380.db2.gz NWLZFAZRZCUAEA-UHFFFAOYSA-N 0 0 331.357 2.393 50 30 EEEARN COCc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000004532752 462634531 /nfs/dbraw/zinc/63/45/31/462634531.db2.gz DACKQEPLZGTUDB-OVCLIPMQSA-N 0 0 331.288 2.490 50 30 EEEARN O=C(Nc1ccccc1)[C@H]1CC(=O)N=C(NN=Cc2ccco2)S1 ZINC000005774598 462669025 /nfs/dbraw/zinc/66/90/25/462669025.db2.gz PVQSWVJASJUFDE-OMJMQIJPSA-N 0 0 342.380 2.230 50 30 EEEARN CCn1cc([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cn1 ZINC000006637204 462692874 /nfs/dbraw/zinc/69/28/74/462692874.db2.gz VFUJFXRLYWIBRE-ZDUSSCGKSA-N 0 0 330.417 2.238 50 30 EEEARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCCn2nc(C#N)cc2C1 ZINC000065376045 462759285 /nfs/dbraw/zinc/75/92/85/462759285.db2.gz PZTFGZMLGGXTHY-UHFFFAOYSA-N 0 0 346.394 2.201 50 30 EEEARN C=CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000008316782 462777887 /nfs/dbraw/zinc/77/78/87/462777887.db2.gz BXHTWOORVPCWCH-UHFFFAOYSA-N 0 0 330.837 2.285 50 30 EEEARN C=CCn1cc(CN2CCN(c3ccc(C(C)=O)cn3)CC2)c(C)n1 ZINC000065528493 462789796 /nfs/dbraw/zinc/78/97/96/462789796.db2.gz XRWSXYWPFPFGNB-UHFFFAOYSA-N 0 0 339.443 2.297 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)CN2CCOc3ccccc3C2)C1 ZINC000091270313 462868138 /nfs/dbraw/zinc/86/81/38/462868138.db2.gz MFNNMAZMYOMUSV-HXUWFJFHSA-N 0 0 344.455 2.058 50 30 EEEARN CC1CCN(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 ZINC000013097989 462884962 /nfs/dbraw/zinc/88/49/62/462884962.db2.gz SMWQBDUEIUZVEP-GOSISDBHSA-N 0 0 326.400 2.015 50 30 EEEARN C/C(=N\NS(=O)(=O)c1ccc(CC(C)C)cc1)c1cnn(C)c1 ZINC000017070508 462994931 /nfs/dbraw/zinc/99/49/31/462994931.db2.gz LWALHQMSUUUPDD-QGOAFFKASA-N 0 0 334.445 2.321 50 30 EEEARN Cc1cccc(CN2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)n1 ZINC000019744851 463020449 /nfs/dbraw/zinc/02/04/49/463020449.db2.gz ORPZFOJXBQQSOE-QFIPXVFZSA-N 0 0 349.478 2.310 50 30 EEEARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cccc(C#N)c1 ZINC000027556331 463194750 /nfs/dbraw/zinc/19/47/50/463194750.db2.gz ATSXPQWINKBROL-GFCCVEGCSA-N 0 0 327.409 2.157 50 30 EEEARN C=CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000028271267 463222450 /nfs/dbraw/zinc/22/24/50/463222450.db2.gz LLEIIKIRYXTGEG-HNNXBMFYSA-N 0 0 336.457 2.067 50 30 EEEARN N#Cc1c(COC(=O)c2ccc(-n3cncn3)nc2)cn2ccccc12 ZINC000032902128 463401234 /nfs/dbraw/zinc/40/12/34/463401234.db2.gz PGBSPJJVKUSSSS-UHFFFAOYSA-N 0 0 344.334 2.144 50 30 EEEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cnn(C)c1 ZINC000103504291 463404126 /nfs/dbraw/zinc/40/41/26/463404126.db2.gz WFRAFAFOGBUOFS-NSHDSACASA-N 0 0 346.774 2.352 50 30 EEEARN Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3C=C[C@@H]4[C@H](O)[C@@H]5C=C[C@H]2[C@@H]5[C@H]34)cc1 ZINC000257359133 463788922 /nfs/dbraw/zinc/78/89/22/463788922.db2.gz YOVMTSGKEVCVEO-FISXXABESA-N 0 0 344.432 2.294 50 30 EEEARN C=CCN1C[C@@H](C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1=O ZINC000011814592 518870018 /nfs/dbraw/zinc/87/00/18/518870018.db2.gz KQXKCXCPPGJCBW-HNNXBMFYSA-N 0 0 325.412 2.435 50 30 EEEARN C=CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1C1CC1 ZINC000012688453 519204264 /nfs/dbraw/zinc/20/42/64/519204264.db2.gz RROMGJHTLMXQKM-UHFFFAOYSA-N 0 0 349.460 2.202 50 30 EEEARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC#N)c1 ZINC000003564790 523650683 /nfs/dbraw/zinc/65/06/83/523650683.db2.gz QXHHAIFBHOJNPP-UHFFFAOYSA-N 0 0 330.365 2.192 50 30 EEEARN COc1ccccc1CC(=O)ONC(=N)c1ccc([N+](=O)[O-])cc1 ZINC000018161842 524387284 /nfs/dbraw/zinc/38/72/84/524387284.db2.gz CACPTLRRBARVIT-UHFFFAOYSA-N 0 0 329.312 2.010 50 30 EEEARN C[C@@](C#N)(NC(=O)CN1CCN(c2ccccc2Cl)CC1)C1CC1 ZINC000034868290 525737422 /nfs/dbraw/zinc/73/74/22/525737422.db2.gz MBDURLJCSZAFAL-SFHVURJKSA-N 0 0 346.862 2.270 50 30 EEEARN Cc1ccc2c(c1)/C(=N/OCC(=O)NCCc1ccccc1)C(=O)N2 ZINC000003282694 526137499 /nfs/dbraw/zinc/13/74/99/526137499.db2.gz VFMVFGDSICYDIL-UHFFFAOYSA-N 0 0 337.379 2.027 50 30 EEEARN O=S(=O)(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1 ZINC000000453026 527203624 /nfs/dbraw/zinc/20/36/24/527203624.db2.gz YDLHBTGJVCSECF-LICLKQGHSA-N 0 0 348.449 2.493 50 30 EEEARN CC#CC(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 ZINC000199296850 783016984 /nfs/dbraw/zinc/01/69/84/783016984.db2.gz CPCQAZCJNSODCT-WBVHZDCISA-N 0 0 328.387 2.302 50 30 EEEARN CC(C)(O)C#Cc1cccc(C(=O)N2Cc3ccccc3[C@H](O)C2)c1 ZINC001506398969 1114595910 /nfs/dbraw/zinc/59/59/10/1114595910.db2.gz IVVLTUHDOCANQC-LJQANCHMSA-N 0 0 335.403 2.498 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2COc3ccccc3C2)o1 ZINC001506424798 1114602787 /nfs/dbraw/zinc/60/27/87/1114602787.db2.gz NFFXIEGPDDXQNV-CQSZACIVSA-N 0 0 325.364 2.136 50 30 EEEARN C=CCS[C@@H](C)C(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000055196314 214287179 /nfs/dbraw/zinc/28/71/79/214287179.db2.gz NJBNAQNRKDHXHF-HNNXBMFYSA-N 0 0 334.485 2.131 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2C#N)c1 ZINC000003414245 210033332 /nfs/dbraw/zinc/03/33/32/210033332.db2.gz PRLRBGCLNHUGJT-UHFFFAOYSA-N 0 0 330.365 2.028 50 30 EEEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003374578 210021578 /nfs/dbraw/zinc/02/15/78/210021578.db2.gz UWXFBAKJUROQAP-UHFFFAOYSA-N 0 0 340.335 2.356 50 30 EEEARN N#Cc1ccnc(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000024202419 283222555 /nfs/dbraw/zinc/22/25/55/283222555.db2.gz AVHTYXLRFBBCFP-UHFFFAOYSA-N 0 0 334.339 2.060 50 30 EEEARN COc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1C(=O)N(C)C ZINC000426571501 241311979 /nfs/dbraw/zinc/31/19/79/241311979.db2.gz MZGASCDUQWWPEJ-GFCCVEGCSA-N 0 0 330.388 2.164 50 30 EEEARN Cn1cc([C@@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@@H](O)C2)cn1 ZINC000219309323 241378076 /nfs/dbraw/zinc/37/80/76/241378076.db2.gz SYJIBEQPRSFZCX-OWQGQXMQSA-N 0 0 337.427 2.490 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021784967 212249831 /nfs/dbraw/zinc/24/98/31/212249831.db2.gz NCHZNYLQRMMBDD-JTQLQIEISA-N 0 0 347.346 2.248 50 30 EEEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000021784028 212248688 /nfs/dbraw/zinc/24/86/88/212248688.db2.gz RLUASWJOULVPRH-VIFPVBQESA-N 0 0 345.380 2.346 50 30 EEEARN C=CCN1C=C(OC(=O)c2ccccn2)c2ccccc2S1(=O)=O ZINC000021149367 212212288 /nfs/dbraw/zinc/21/22/88/212212288.db2.gz RZCBCBUJLCZENO-UHFFFAOYSA-N 0 0 342.376 2.427 50 30 EEEARN N#Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCOCC3)cc2)cc1 ZINC000019331869 212016475 /nfs/dbraw/zinc/01/64/75/212016475.db2.gz WQKZIQOVSHBBLN-IBGZPJMESA-N 0 0 338.407 2.297 50 30 EEEARN CCCOC[C@@H]1C[C@]2(S/C(=N/c3ccc(C)cc3)NC2=O)C(=O)O1 ZINC000009350691 211071858 /nfs/dbraw/zinc/07/18/58/211071858.db2.gz VRJYEHGOYYFFMJ-SUMWQHHRSA-N 0 0 348.424 2.326 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000007384838 210792266 /nfs/dbraw/zinc/79/22/66/210792266.db2.gz JZYZURCGFMWNPD-KRWDZBQOSA-N 0 0 344.440 2.001 50 30 EEEARN CC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 ZINC000005009254 210360498 /nfs/dbraw/zinc/36/04/98/210360498.db2.gz KEIDYNYUGHOERF-UHFFFAOYSA-N 0 0 332.363 2.482 50 30 EEEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)NCC ZINC000006745226 258044193 /nfs/dbraw/zinc/04/41/93/258044193.db2.gz AARADWJPINCBTE-UHFFFAOYSA-N 0 0 346.387 2.471 50 30 EEEARN C=CCN1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000009306516 258018220 /nfs/dbraw/zinc/01/82/20/258018220.db2.gz NBJYMRWDIZKRDC-KGLIPLIRSA-N 0 0 340.445 2.082 50 30 EEEARN N#CCCCS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000125203265 222533764 /nfs/dbraw/zinc/53/37/64/222533764.db2.gz KLOAXUDPIAIXCO-UHFFFAOYSA-N 0 0 333.163 2.435 50 30 EEEARN N#Cc1c(CN2Cc3ccccc3C[C@H]2C(N)=O)cn2ccccc12 ZINC000022201571 274917745 /nfs/dbraw/zinc/91/77/45/274917745.db2.gz UMBFAZOVISUOEQ-IBGZPJMESA-N 0 0 330.391 2.223 50 30 EEEARN CN(C)c1ccc(/C=N/NC(=S)NC[C@H]2CCCO2)c(Cl)c1 ZINC000000111644 462542495 /nfs/dbraw/zinc/54/24/95/462542495.db2.gz WRXGIUBDPJXMMM-AGZSBTIMSA-N 0 0 340.880 2.383 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000004018815 462626957 /nfs/dbraw/zinc/62/69/57/462626957.db2.gz FFEVVHJDZRIRCQ-MRXNPFEDSA-N 0 0 338.319 2.299 50 30 EEEARN C#CCN1c2ccccc2C(=O)N2[C@@H]1c1ccccc1C(=O)N2CC#C ZINC000004708740 462636956 /nfs/dbraw/zinc/63/69/56/462636956.db2.gz ABEXROUWUJSZKJ-LJQANCHMSA-N 0 0 341.370 2.285 50 30 EEEARN C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000006905135 462712011 /nfs/dbraw/zinc/71/20/11/462712011.db2.gz OUXYHSJTTIYQJZ-LBPRGKRZSA-N 0 0 346.368 2.447 50 30 EEEARN N#Cc1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 ZINC000007046675 462718259 /nfs/dbraw/zinc/71/82/59/462718259.db2.gz IIFOLFNMBLVNSL-UHFFFAOYSA-N 0 0 325.368 2.206 50 30 EEEARN CC(C)c1nc(CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1 ZINC000065531046 462790591 /nfs/dbraw/zinc/79/05/91/462790591.db2.gz GBPXGEKZAFSULR-AWEZNQCLSA-N 0 0 326.404 2.394 50 30 EEEARN N#CCCn1c2ccccc2nc1SCCN1C(=O)CCC1=O ZINC000012553686 462856409 /nfs/dbraw/zinc/85/64/09/462856409.db2.gz UJBFWPRUCUQIED-UHFFFAOYSA-N 0 0 328.397 2.191 50 30 EEEARN C/N=C1/S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C ZINC000013125579 462885808 /nfs/dbraw/zinc/88/58/08/462885808.db2.gz NPTDQXSUQZRHQJ-CBFHDUEPSA-N 0 0 335.404 2.194 50 30 EEEARN CC(=O)Nc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1 ZINC000013723585 462902046 /nfs/dbraw/zinc/90/20/46/462902046.db2.gz CHUWGQTZEOWVHG-UHFFFAOYSA-N 0 0 328.397 2.127 50 30 EEEARN CN(CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000016628782 462984392 /nfs/dbraw/zinc/98/43/92/462984392.db2.gz GRMATESWTRWWGG-MRXNPFEDSA-N 0 0 337.379 2.269 50 30 EEEARN COc1cccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c1 ZINC000018191100 463008571 /nfs/dbraw/zinc/00/85/71/463008571.db2.gz HWBHAAQSTGYDIF-UHFFFAOYSA-N 0 0 339.380 2.147 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000018196168 463009038 /nfs/dbraw/zinc/00/90/38/463009038.db2.gz PSNOTQHXRYMXSP-OAHLLOKOSA-N 0 0 339.355 2.060 50 30 EEEARN Cn1c(Nc2ccc(OC3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000029531038 463260959 /nfs/dbraw/zinc/26/09/59/463260959.db2.gz TUQRZPHDMBTKHM-UHFFFAOYSA-N 0 0 340.383 2.021 50 30 EEEARN Cc1cc(C)cc(OCCCn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 ZINC000029750536 463271075 /nfs/dbraw/zinc/27/10/75/463271075.db2.gz UTOXGMJJKKIBMQ-UHFFFAOYSA-N 0 0 339.395 2.303 50 30 EEEARN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000032616442 463383565 /nfs/dbraw/zinc/38/35/65/463383565.db2.gz LCLVERHSKKZAIR-UHFFFAOYSA-N 0 0 342.420 2.375 50 30 EEEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000104055829 463408252 /nfs/dbraw/zinc/40/82/52/463408252.db2.gz TXPHNNMDLCPVCC-DOMZBBRYSA-N 0 0 334.335 2.068 50 30 EEEARN C=CCCOCCNC(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000125054113 463496723 /nfs/dbraw/zinc/49/67/23/463496723.db2.gz OPWMISYXGMWQKQ-UHFFFAOYSA-N 0 0 333.310 2.125 50 30 EEEARN C#Cc1cccc(N(C)C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 ZINC000110290396 463657473 /nfs/dbraw/zinc/65/74/73/463657473.db2.gz JTCJSZBIBKOHOY-UHFFFAOYSA-N 0 0 344.374 2.229 50 30 EEEARN COc1ccc(C=NOC(=O)C2CC2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000245226064 464468739 /nfs/dbraw/zinc/46/87/39/464468739.db2.gz GXHNESCZMCOOCM-UHFFFAOYSA-N 0 0 344.327 2.135 50 30 EEEARN Cc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nc(C)n1 ZINC000612479112 469477131 /nfs/dbraw/zinc/47/71/31/469477131.db2.gz TUANBIXGUCIHAX-UHFFFAOYSA-N 0 0 349.438 2.313 50 30 EEEARN C=CCNC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724262 518883929 /nfs/dbraw/zinc/88/39/29/518883929.db2.gz KFKKAHLXVZDLOS-UHFFFAOYSA-N 0 0 344.390 2.390 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 ZINC000206601475 564003745 /nfs/dbraw/zinc/00/37/45/564003745.db2.gz HLUROEMPTXXTSI-VOTSOKGWSA-N 0 0 347.422 2.394 50 30 EEEARN CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/n1cnnc1 ZINC000100193289 1358189018 /nfs/dbraw/zinc/18/90/18/1358189018.db2.gz RHWZNMHOADTXOR-XUGXDJALSA-N 0 0 329.385 2.042 50 30 EEEARN C=CCN1C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)NCC)c2)CC1=O ZINC000952961119 796077203 /nfs/dbraw/zinc/07/72/03/796077203.db2.gz LSTLJXLJORCHOP-LLVKDONJSA-N 0 0 349.818 2.063 50 30 EEEARN CC(C)(O)C#Cc1cccc(C(=O)N(CCO)Cc2ccccc2)c1 ZINC000828754069 800833705 /nfs/dbraw/zinc/83/37/05/800833705.db2.gz WXHJJBIRPDBION-UHFFFAOYSA-N 0 0 337.419 2.444 50 30 EEEARN N#CC(N=Nc1cccc(C(F)(F)F)c1)=C(N)N1CCOCC1 ZINC000003664722 210072634 /nfs/dbraw/zinc/07/26/34/210072634.db2.gz ZVXWHWRRQYRGBN-PHCZRBLDSA-N 0 0 325.294 2.306 50 30 EEEARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C#N)cc1 ZINC000003309884 210003556 /nfs/dbraw/zinc/00/35/56/210003556.db2.gz KTCOOGNLUMVNAU-UHFFFAOYSA-N 0 0 327.296 2.493 50 30 EEEARN C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1cc(Cl)ccc1C#N ZINC000042381903 213500505 /nfs/dbraw/zinc/50/05/05/213500505.db2.gz SHGUISGUMBVWDY-JTQLQIEISA-N 0 0 331.759 2.491 50 30 EEEARN CNS(=O)(=O)c1ccc(-c2cc(C(C)C)nc(N)c2C#N)cc1 ZINC000067847867 215229767 /nfs/dbraw/zinc/22/97/67/215229767.db2.gz FVUYJUJQYVTESX-UHFFFAOYSA-N 0 0 330.413 2.234 50 30 EEEARN Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)[nH]c2C)C3)n1 ZINC000685943604 539991395 /nfs/dbraw/zinc/99/13/95/539991395.db2.gz ZCYYJKSSVUAOLZ-SJCJKPOMSA-N 0 0 325.372 2.080 50 30 EEEARN C=CCN(Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)C[C@@H](C)O ZINC000036208069 213077632 /nfs/dbraw/zinc/07/76/32/213077632.db2.gz QICUQWAEQZEUHI-VXGBXAGGSA-N 0 0 347.484 2.478 50 30 EEEARN N#Cc1cccc(CSc2nc3cc(F)ccc3c(=O)n2N)c1 ZINC000071327736 215761540 /nfs/dbraw/zinc/76/15/40/215761540.db2.gz KRGUMNFSILLGMD-UHFFFAOYSA-N 0 0 326.356 2.413 50 30 EEEARN C#CCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1OCCc2ccccc21 ZINC000072230270 216071139 /nfs/dbraw/zinc/07/11/39/216071139.db2.gz MNFVRDUYUAYVNU-OALUTQOASA-N 0 0 326.440 2.247 50 30 EEEARN O=C(CNc1cccc(C#Cc2cccs2)c1)N1CCNC1=O ZINC000029399835 212664474 /nfs/dbraw/zinc/66/44/74/212664474.db2.gz UDRKMBAFGMKXJX-UHFFFAOYSA-N 0 0 325.393 2.112 50 30 EEEARN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1C#N ZINC000022279138 212288128 /nfs/dbraw/zinc/28/81/28/212288128.db2.gz YAKVBNGSHKPQHP-UHFFFAOYSA-N 0 0 330.365 2.108 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)NC2CCCCCC2)nc1N ZINC000021424596 212225200 /nfs/dbraw/zinc/22/52/00/212225200.db2.gz GWWANIPIPHIUHS-UHFFFAOYSA-N 0 0 329.429 2.338 50 30 EEEARN CCOC(=O)C1=C(C=CN(C)C)NC(=Cc2ccc(OC)cc2)C1=O ZINC000019638512 212053303 /nfs/dbraw/zinc/05/33/03/212053303.db2.gz XROOINFSXRKWSZ-NJLIKGMNSA-N 0 0 342.395 2.101 50 30 EEEARN N#CCCN1CCN(C2=NC(=O)/C(=C\c3cccs3)S2)CC1 ZINC000019342584 212018311 /nfs/dbraw/zinc/01/83/11/212018311.db2.gz KOPHRAJFSWLCSC-ACCUITESSA-N 0 0 332.454 2.250 50 30 EEEARN CC(=O)Nc1cccc(/C(C)=N/NS(=O)(=O)c2ccccc2)c1 ZINC000012343282 211352634 /nfs/dbraw/zinc/35/26/34/211352634.db2.gz ZSXWHEGROJJGHQ-LDADJPATSA-N 0 0 331.397 2.348 50 30 EEEARN C=CCNC(=O)Cn1c(CO)cnc1SCc1cccc(F)c1 ZINC000009827536 211126014 /nfs/dbraw/zinc/12/60/14/211126014.db2.gz DSOPJWUFEKDLCU-UHFFFAOYSA-N 0 0 335.404 2.109 50 30 EEEARN C#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008345874 210940937 /nfs/dbraw/zinc/94/09/37/210940937.db2.gz DHQRUOKBWHBTEC-UHFFFAOYSA-N 0 0 348.468 2.393 50 30 EEEARN O=C(C#Cc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000006726608 210691649 /nfs/dbraw/zinc/69/16/49/210691649.db2.gz XLLJWJRENRWPDZ-UHFFFAOYSA-N 0 0 334.375 2.149 50 30 EEEARN C=CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000100972524 276893528 /nfs/dbraw/zinc/89/35/28/276893528.db2.gz RHZTVBRKKWEYHJ-FHGZOZNJSA-N 0 0 328.390 2.020 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 ZINC000000043624 462540631 /nfs/dbraw/zinc/54/06/31/462540631.db2.gz DBZWFUBFIZTYHI-CQSZACIVSA-N 0 0 329.352 2.159 50 30 EEEARN O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1 ZINC000000237434 462549609 /nfs/dbraw/zinc/54/96/09/462549609.db2.gz APAXXKDLVFWTEN-LICLKQGHSA-N 0 0 344.352 2.389 50 30 EEEARN CC(=O)N1C(=O)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005257563 462651999 /nfs/dbraw/zinc/65/19/99/462651999.db2.gz GFVQQFLKXYPIFT-OAHLLOKOSA-N 0 0 329.312 2.215 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(F)c1 ZINC000005248943 462652650 /nfs/dbraw/zinc/65/26/50/462652650.db2.gz XJZPWOWBTUXLPV-INIZCTEOSA-N 0 0 343.358 2.397 50 30 EEEARN CS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(-c3ccco3)n2)c1 ZINC000012846279 462872400 /nfs/dbraw/zinc/87/24/00/462872400.db2.gz IJTTYSCLLPSZRL-UHFFFAOYSA-N 0 0 332.341 2.105 50 30 EEEARN COCCN1CCC[C@@]2(CCN(c3nc(C)cc(C)c3C#N)C2)C1=O ZINC000091770669 462906085 /nfs/dbraw/zinc/90/60/85/462906085.db2.gz UPSCILJBRYUPHB-IBGZPJMESA-N 0 0 342.443 2.035 50 30 EEEARN N#Cc1ccc(OC[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 ZINC000014246724 462921806 /nfs/dbraw/zinc/92/18/06/462921806.db2.gz CMPYREQQXNSLTQ-OAHLLOKOSA-N 0 0 342.395 2.007 50 30 EEEARN C=CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000014327206 462924074 /nfs/dbraw/zinc/92/40/74/462924074.db2.gz MZDCHTREHBOVRP-CQSZACIVSA-N 0 0 330.428 2.281 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016606767 462983320 /nfs/dbraw/zinc/98/33/20/462983320.db2.gz LPGQXNYRZOXPBP-OKILXGFUSA-N 0 0 336.457 2.269 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016647524 462985722 /nfs/dbraw/zinc/98/57/22/462985722.db2.gz FRNYYNYHVGSLRW-UHFFFAOYSA-N 0 0 340.470 2.109 50 30 EEEARN C#Cc1cc(F)c(NC(=O)N2CCCN(C(=O)C3CC3)CC2)c(F)c1 ZINC000122292817 463252616 /nfs/dbraw/zinc/25/26/16/463252616.db2.gz FWMIDVUMJRRYTD-UHFFFAOYSA-N 0 0 347.365 2.422 50 30 EEEARN COc1ccccc1OCCOc1ccc(/C=N\NC(N)=S)cc1 ZINC000031948656 463358816 /nfs/dbraw/zinc/35/88/16/463358816.db2.gz MZOARDOIZGWBDZ-UNOMPAQXSA-N 0 0 345.424 2.320 50 30 EEEARN Cn1cc(C[C@H]2CC(=O)N(CC#Cc3ccc(Cl)cc3)C2=O)cn1 ZINC000101541286 463379948 /nfs/dbraw/zinc/37/99/48/463379948.db2.gz HHAWMQVCPZSWIL-HNNXBMFYSA-N 0 0 341.798 2.043 50 30 EEEARN CO[C@H](C(=O)N1CCN(c2ccccc2C#N)C(=O)C1)c1ccccc1 ZINC000082115064 463515481 /nfs/dbraw/zinc/51/54/81/463515481.db2.gz JCRQOVYYUZPCRD-IBGZPJMESA-N 0 0 349.390 2.121 50 30 EEEARN COCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000108093370 463590301 /nfs/dbraw/zinc/59/03/01/463590301.db2.gz FXMPEKJYRJFCHK-ZBFHGGJFSA-N 0 0 330.432 2.019 50 30 EEEARN C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2[C@H](O)CO ZINC000254738595 465019184 /nfs/dbraw/zinc/01/91/84/465019184.db2.gz DCMCEXCRUWBAFV-CCOGIYSMSA-N 0 0 348.483 2.459 50 30 EEEARN C=CCN1C[C@H](C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1=O ZINC000011814590 518872552 /nfs/dbraw/zinc/87/25/52/518872552.db2.gz KQXKCXCPPGJCBW-OAHLLOKOSA-N 0 0 325.412 2.435 50 30 EEEARN CCCc1cc(CN(C)C(=O)Nc2n[nH]c(-c3ccco3)n2)[nH]n1 ZINC000048159265 521364582 /nfs/dbraw/zinc/36/45/82/521364582.db2.gz VZSCQJOLKIUZLQ-UHFFFAOYSA-N 0 0 329.364 2.418 50 30 EEEARN COc1ccc(-c2nnc(SCC(=O)N(C)CCC#N)o2)cc1 ZINC000004470210 523257768 /nfs/dbraw/zinc/25/77/68/523257768.db2.gz ANFZOKQWBSWLRO-UHFFFAOYSA-N 0 0 332.385 2.209 50 30 EEEARN COc1ccccc1CC(=N)NOC(=O)COc1cccc(C)c1 ZINC000004191887 524367280 /nfs/dbraw/zinc/36/72/80/524367280.db2.gz JQDHRIAWZMVYHJ-UHFFFAOYSA-N 0 0 328.368 2.441 50 30 EEEARN CCCNC(=O)c1c(/N=C/c2cc(OC)ccc2OC)cnn1C ZINC000002797719 528442428 /nfs/dbraw/zinc/44/24/28/528442428.db2.gz NUTKUIGSCANTSS-VXLYETTFSA-N 0 0 330.388 2.328 50 30 EEEARN N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001057161563 1242160960 /nfs/dbraw/zinc/16/09/60/1242160960.db2.gz CPNIRDMDCUTMDW-DLBZAZTESA-N 0 0 347.422 2.191 50 30 EEEARN OCC#Cc1csc(CNCc2csc(-c3cnccn3)n2)c1 ZINC000952965984 796087302 /nfs/dbraw/zinc/08/73/02/796087302.db2.gz GIRUNJBWMCKADB-UHFFFAOYSA-N 0 0 342.449 2.295 50 30 EEEARN CC(C)C(=O)Nc1cccc(C(=O)N2CCn3nc(C#N)cc3C2)c1 ZINC000952989175 796158231 /nfs/dbraw/zinc/15/82/31/796158231.db2.gz CDPILYSCWHHBCM-UHFFFAOYSA-N 0 0 337.383 2.005 50 30 EEEARN COC[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccccn1 ZINC000952990205 796160775 /nfs/dbraw/zinc/16/07/75/796160775.db2.gz LKALKWBQLGHAIM-SFHVURJKSA-N 0 0 338.407 2.322 50 30 EEEARN C=CCNc1ncnc2sc(C(=O)N3CCC[C@@H](O)C3)c(C)c21 ZINC000011870866 798863001 /nfs/dbraw/zinc/86/30/01/798863001.db2.gz UGVIPYPNSRGMFU-LLVKDONJSA-N 0 0 332.429 2.195 50 30 EEEARN Cc1nonc1[C@@H]1CCCN1C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000065382661 214883000 /nfs/dbraw/zinc/88/30/00/214883000.db2.gz PVATXPYJGSAXHS-INIZCTEOSA-N 0 0 339.395 2.478 50 30 EEEARN CC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c(C#N)c1C ZINC000003125004 209966267 /nfs/dbraw/zinc/96/62/67/209966267.db2.gz PDGGGPAIGFQPLO-UHFFFAOYSA-N 0 0 332.157 2.378 50 30 EEEARN CCc1nc(C)sc1Cn1ccc2nc(O)c(C#N)cc2c1=O ZINC000067920264 215249774 /nfs/dbraw/zinc/24/97/74/215249774.db2.gz DKRKUYUAOHPUQG-UHFFFAOYSA-N 0 0 326.381 2.349 50 30 EEEARN COc1nc2ccn(CCCNc3cccnc3)c(=O)c2cc1C#N ZINC000067955234 215258614 /nfs/dbraw/zinc/25/86/14/215258614.db2.gz VNOQNQYPTRPEKU-UHFFFAOYSA-N 0 0 335.367 2.174 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(O)cc1 ZINC000040357828 213293136 /nfs/dbraw/zinc/29/31/36/213293136.db2.gz LJXGIURCNFJGCW-INIZCTEOSA-N 0 0 333.384 2.492 50 30 EEEARN Cc1ccc(C)c(OC[C@@H](O)Cn2nc(C)c(C)c(C#N)c2=O)c1C ZINC000028915741 212643975 /nfs/dbraw/zinc/64/39/75/212643975.db2.gz UCQLAHCJOARZLI-INIZCTEOSA-N 0 0 341.411 2.097 50 30 EEEARN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1 ZINC000023624192 212386712 /nfs/dbraw/zinc/38/67/12/212386712.db2.gz UVTBLVAPBIQLMY-UHFFFAOYSA-N 0 0 342.420 2.413 50 30 EEEARN N#Cc1cccc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)c1 ZINC000225634485 241963477 /nfs/dbraw/zinc/96/34/77/241963477.db2.gz QKWKSLNTFHDCDW-MRXNPFEDSA-N 0 0 349.346 2.008 50 30 EEEARN CC(C)[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 ZINC000014198434 211709411 /nfs/dbraw/zinc/70/94/11/211709411.db2.gz AVJBKAWHYISUKQ-AWEZNQCLSA-N 0 0 346.818 2.418 50 30 EEEARN CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000011371607 211213376 /nfs/dbraw/zinc/21/33/76/211213376.db2.gz UAPWMAFWAXKUHY-ZUZCIYMTSA-N 0 0 338.433 2.093 50 30 EEEARN C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl ZINC000010386076 211168974 /nfs/dbraw/zinc/16/89/74/211168974.db2.gz MALVGWDLGPYPPM-UITAMQMPSA-N 0 0 340.836 2.234 50 30 EEEARN CC1CCC(NC(=O)COC(=O)COc2ccc(C#N)cc2)CC1 ZINC000008010157 210882517 /nfs/dbraw/zinc/88/25/17/210882517.db2.gz XMAVIOMILPSDQV-UHFFFAOYSA-N 0 0 330.384 2.175 50 30 EEEARN N#Cc1c(NC(=O)C(=O)NCc2ccco2)sc2c1CCCC2 ZINC000004858014 210303964 /nfs/dbraw/zinc/30/39/64/210303964.db2.gz QZWHAEGRGRQVSL-UHFFFAOYSA-N 0 0 329.381 2.346 50 30 EEEARN C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(C)C2=O)cc1OC ZINC000004754450 210270477 /nfs/dbraw/zinc/27/04/77/210270477.db2.gz LCJMLLMUFZALKC-XFFZJAGNSA-N 0 0 336.800 2.048 50 30 EEEARN Cc1cc(NC=C2C(=O)c3ccccc3N(C)S2(=O)=O)nc(C)n1 ZINC000000095616 278705363 /nfs/dbraw/zinc/70/53/63/278705363.db2.gz WREXVNANURWAHU-NTEUORMPSA-N 0 0 344.396 2.009 50 30 EEEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000018199450 304624119 /nfs/dbraw/zinc/62/41/19/304624119.db2.gz WPLVFXQDDWKWQR-LBPRGKRZSA-N 0 0 343.770 2.281 50 30 EEEARN C=CCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000079475 462541030 /nfs/dbraw/zinc/54/10/30/462541030.db2.gz KQOOFOZHVYUVBK-UHFFFAOYSA-N 0 0 342.424 2.210 50 30 EEEARN Nc1nnnn1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000361157 462555804 /nfs/dbraw/zinc/55/58/04/462555804.db2.gz KVNCNJCVTJJXJL-GIJQJNRQSA-N 0 0 328.763 2.370 50 30 EEEARN CCCOc1cc(-n2nc(SC)c(C#N)c2N)nc(SC)n1 ZINC000002182893 462590212 /nfs/dbraw/zinc/59/02/12/462590212.db2.gz YAKLZSHPOJREQE-UHFFFAOYSA-N 0 0 336.446 2.349 50 30 EEEARN N#Cc1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1 ZINC000006084738 462676559 /nfs/dbraw/zinc/67/65/59/462676559.db2.gz XOFPWOLNHUFDAN-UHFFFAOYSA-N 0 0 348.314 2.460 50 30 EEEARN CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1C#N ZINC000007248198 462727125 /nfs/dbraw/zinc/72/71/25/462727125.db2.gz DMPGEVRWMDVGGG-AWEZNQCLSA-N 0 0 344.392 2.019 50 30 EEEARN C#CCNC(=O)COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000007398971 462733347 /nfs/dbraw/zinc/73/33/47/462733347.db2.gz DMTWWRMTESYEFF-UHFFFAOYSA-N 0 0 342.399 2.042 50 30 EEEARN CC(=O)N[C@H](C(=O)NCCSCc1ccccc1C#N)C(C)C ZINC000007649108 462743652 /nfs/dbraw/zinc/74/36/52/462743652.db2.gz BXMASYDHFDDWCE-INIZCTEOSA-N 0 0 333.457 2.068 50 30 EEEARN CCc1ccc(-c2noc(Cn3nc(C)c(C)c(C#N)c3=O)n2)cc1 ZINC000008251578 462775423 /nfs/dbraw/zinc/77/54/23/462775423.db2.gz LOVURYWCCLDYKZ-UHFFFAOYSA-N 0 0 335.367 2.393 50 30 EEEARN N#CCC[C@@H](C#N)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000012894814 462874706 /nfs/dbraw/zinc/87/47/06/462874706.db2.gz KZMLZTMVYBYVAH-VIFPVBQESA-N 0 0 331.719 2.402 50 30 EEEARN C=CCn1c(N)nnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000012920834 462875639 /nfs/dbraw/zinc/87/56/39/462875639.db2.gz KGZKNBIJNREHBS-UHFFFAOYSA-N 0 0 348.819 2.229 50 30 EEEARN CC/N=C1\S[C@H](C(=O)NCCc2ccccc2)CC(=O)N1CC ZINC000013115820 462885566 /nfs/dbraw/zinc/88/55/66/462885566.db2.gz RKLCRMMECYBUFL-DNZUHHBVSA-N 0 0 333.457 2.075 50 30 EEEARN Cc1csc(-c2c(O)cn(N=Cc3ccc(N(C)C)cc3)c2N)n1 ZINC000013691943 462899557 /nfs/dbraw/zinc/89/95/57/462899557.db2.gz MFGCBIMDTXQSRN-UFWORHAWSA-N 0 0 341.440 2.064 50 30 EEEARN Cc1ccc(C)c(OCCCn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 ZINC000029750537 463271591 /nfs/dbraw/zinc/27/15/91/463271591.db2.gz NQNUEVMVCIXOJG-UHFFFAOYSA-N 0 0 339.395 2.303 50 30 EEEARN N#CC1(NC(=O)CN2CC[C@H](CNc3ccccn3)C2)CCCCC1 ZINC000097200576 463345003 /nfs/dbraw/zinc/34/50/03/463345003.db2.gz ACTUYEHBBHKMHQ-MRXNPFEDSA-N 0 0 341.459 2.158 50 30 EEEARN COC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)OC2=C1C(=O)CC(C)(C)C2 ZINC000040284248 463454697 /nfs/dbraw/zinc/45/46/97/463454697.db2.gz VQYUYESBTVQVSX-CQSZACIVSA-N 0 0 348.321 2.052 50 30 EEEARN N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3cccs3)c2)CCO1 ZINC000106349999 463511259 /nfs/dbraw/zinc/51/12/59/463511259.db2.gz WNXIYCZYALDCSS-CQSZACIVSA-N 0 0 341.392 2.105 50 30 EEEARN C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc(N2CCCCC2=O)c1 ZINC000027049108 518909297 /nfs/dbraw/zinc/90/92/97/518909297.db2.gz VJLCYIALVGHMAZ-ZDUSSCGKSA-N 0 0 344.415 2.016 50 30 EEEARN CN(CCC#N)C(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000003282051 522667878 /nfs/dbraw/zinc/66/78/78/522667878.db2.gz NBDHXKRVLWFCQM-UHFFFAOYSA-N 0 0 331.397 2.144 50 30 EEEARN COc1ccccc1NOC(=O)COc1ccc(C=O)cc1OC ZINC000020328819 524640234 /nfs/dbraw/zinc/64/02/34/524640234.db2.gz UBYBUKOXWHEQRP-UHFFFAOYSA-N 0 0 331.324 2.465 50 30 EEEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000004554874 210220156 /nfs/dbraw/zinc/22/01/56/210220156.db2.gz LMERFQUKCYCPHQ-SFHVURJKSA-N 0 0 325.389 2.497 50 30 EEEARN C#CC(CC)(CC)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008683738 201755990 /nfs/dbraw/zinc/75/59/90/201755990.db2.gz YIHNMEXKLAPJRM-UHFFFAOYSA-N 0 0 325.459 2.224 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000000125748 290925459 /nfs/dbraw/zinc/92/54/59/290925459.db2.gz RJQUOIJAURTDOC-CYBMUJFWSA-N 0 0 328.368 2.182 50 30 EEEARN CC[C@H]1Cc2c(nc(N)c3c(N)nc(N(CC)CC)c(C#N)c23)O1 ZINC000020268336 202036532 /nfs/dbraw/zinc/03/65/32/202036532.db2.gz NXOFKTRYGXSRCY-VIFPVBQESA-N 0 0 326.404 2.226 50 30 EEEARN N#Cc1nc(C2CC2)oc1N1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000029228991 202182956 /nfs/dbraw/zinc/18/29/56/202182956.db2.gz DKNYVQTVBYRMSO-UHFFFAOYSA-N 0 0 340.387 2.006 50 30 EEEARN N#Cc1ccc(C(=O)N[C@H]2C[C@@H](c3cc(N4CCCC4)ncn3)C2)cn1 ZINC000218461741 241323375 /nfs/dbraw/zinc/32/33/75/241323375.db2.gz SBIXOLQCMLXCHT-KOMQPUFPSA-N 0 0 348.410 2.019 50 30 EEEARN CC1(C)Cc2c(C#N)c(NC(=O)CCN3CCOCC3)sc2CO1 ZINC000020027168 212094426 /nfs/dbraw/zinc/09/44/26/212094426.db2.gz WVGGSMMBNXPPTR-UHFFFAOYSA-N 0 0 349.456 2.132 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000004017142 207091746 /nfs/dbraw/zinc/09/17/46/207091746.db2.gz UFQLYRJRFJRZLU-OAHLLOKOSA-N 0 0 332.356 2.061 50 30 EEEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000004785173 210279380 /nfs/dbraw/zinc/27/93/80/210279380.db2.gz FVMHLIJHRGDVGZ-NSHDSACASA-N 0 0 335.341 2.173 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c([nH][nH]c2=O)C[C@]1(C)O ZINC000006752707 277873469 /nfs/dbraw/zinc/87/34/69/277873469.db2.gz GKZRDJYXWGJUDF-ALKREAHSSA-N 0 0 342.395 2.208 50 30 EEEARN N#Cc1cc2c(nc1N1CCC3(CC1)OCCC[C@@H]3O)CCCC2 ZINC000091849078 294889869 /nfs/dbraw/zinc/88/98/69/294889869.db2.gz CDIHPQUSWSIUQO-KRWDZBQOSA-N 0 0 327.428 2.342 50 30 EEEARN NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccccc1F ZINC000049546313 303351157 /nfs/dbraw/zinc/35/11/57/303351157.db2.gz FTTCASQXWFENDP-OAHLLOKOSA-N 0 0 326.331 2.143 50 30 EEEARN C=C(C)Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000266808 462552884 /nfs/dbraw/zinc/55/28/84/462552884.db2.gz HVVPWSFGBFCAFT-UHFFFAOYSA-N 0 0 342.424 2.292 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000381169 462558193 /nfs/dbraw/zinc/55/81/93/462558193.db2.gz AGBBFQVUQLAPOB-ZFWWWQNUSA-N 0 0 346.339 2.058 50 30 EEEARN CSc1nc(N)nc(SCC(=O)NC2CCCCC2)c1C#N ZINC000006467629 462686495 /nfs/dbraw/zinc/68/64/95/462686495.db2.gz ANUNSGWJFQOKPO-UHFFFAOYSA-N 0 0 337.474 2.193 50 30 EEEARN COc1cccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 ZINC000006753074 462703198 /nfs/dbraw/zinc/70/31/98/462703198.db2.gz XPMSTLLTHBXXNX-UHFFFAOYSA-N 0 0 334.379 2.299 50 30 EEEARN CCCCNC(=O)CSc1nc(C)c(C(=O)OCC)cc1C#N ZINC000007149492 462723520 /nfs/dbraw/zinc/72/35/20/462723520.db2.gz WJMVQSANDPEQDN-UHFFFAOYSA-N 0 0 335.429 2.447 50 30 EEEARN Cc1c(O)ccc2c(CSc3ncc(C#N)c(N)n3)cc(=O)oc12 ZINC000008706032 462791855 /nfs/dbraw/zinc/79/18/55/462791855.db2.gz UMBNQWRPFAGLKJ-UHFFFAOYSA-N 0 0 340.364 2.343 50 30 EEEARN N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000008745996 462794890 /nfs/dbraw/zinc/79/48/90/462794890.db2.gz FTXNEQUSOJAWEN-INIZCTEOSA-N 0 0 347.378 2.343 50 30 EEEARN N#Cc1ccc(OC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000008768009 462796562 /nfs/dbraw/zinc/79/65/62/462796562.db2.gz CICKLEYLQYUPEO-UHFFFAOYSA-N 0 0 342.376 2.218 50 30 EEEARN C[C@@H]1CCc2ccccc2N1C(=O)CSc1ncc(C#N)c(N)n1 ZINC000009338765 462800826 /nfs/dbraw/zinc/80/08/26/462800826.db2.gz FUQZRJNSRUAPCA-LLVKDONJSA-N 0 0 339.424 2.390 50 30 EEEARN CCc1cc(N2CCC[C@H]2C(N)=O)n2c3ccccc3nc2c1C#N ZINC000009319445 462800911 /nfs/dbraw/zinc/80/09/11/462800911.db2.gz LJBKCDYMLAWOFD-INIZCTEOSA-N 0 0 333.395 2.376 50 30 EEEARN N#Cc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(F)c1 ZINC000010619878 462821995 /nfs/dbraw/zinc/82/19/95/462821995.db2.gz PODRORPWHUZYRJ-UHFFFAOYSA-N 0 0 325.255 2.402 50 30 EEEARN C[C@H](c1ccccc1)N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N ZINC000011904243 462840517 /nfs/dbraw/zinc/84/05/17/462840517.db2.gz ULBVILPRMQFVRX-GFCCVEGCSA-N 0 0 346.390 2.196 50 30 EEEARN N#Cc1nncn1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012762888 462867415 /nfs/dbraw/zinc/86/74/15/462867415.db2.gz XFENSKYKXNLNJD-UHFFFAOYSA-N 0 0 339.355 2.220 50 30 EEEARN Cn1c(Oc2ccc3c(c2)[nH]c2ccccc23)c(C#N)c(=O)n(C)c1=O ZINC000014216726 462919302 /nfs/dbraw/zinc/91/93/02/462919302.db2.gz UMWRJIUJAYVIGX-UHFFFAOYSA-N 0 0 346.346 2.382 50 30 EEEARN C=CCN1C(C(C)=O)=C(OC(=O)CC)c2ccccc2S1(=O)=O ZINC000015669427 462958886 /nfs/dbraw/zinc/95/88/86/462958886.db2.gz ZOWOENBQCJWTNZ-UHFFFAOYSA-N 0 0 335.381 2.088 50 30 EEEARN COc1cc(C=Nn2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC ZINC000016980144 462992698 /nfs/dbraw/zinc/99/26/98/462992698.db2.gz DHORTVBPLYGEIF-UHFFFAOYSA-N 0 0 341.367 2.245 50 30 EEEARN CCN(C)c1ccnc(N2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000067674726 463034463 /nfs/dbraw/zinc/03/44/63/463034463.db2.gz MZYSQVILHCMMAW-UHFFFAOYSA-N 0 0 336.443 2.127 50 30 EEEARN C=CCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024608091 463091690 /nfs/dbraw/zinc/09/16/90/463091690.db2.gz KMFPATVRPUHLOC-UHFFFAOYSA-N 0 0 346.383 2.304 50 30 EEEARN C=CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000024987199 463103953 /nfs/dbraw/zinc/10/39/53/463103953.db2.gz PEUSORLIKUVWCV-UHFFFAOYSA-N 0 0 326.194 2.181 50 30 EEEARN N#Cc1ccc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000032857659 463399060 /nfs/dbraw/zinc/39/90/60/463399060.db2.gz OBDHDQZJODKAOG-UHFFFAOYSA-N 0 0 328.372 2.305 50 30 EEEARN CCc1nc2ccccc2n1CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000103717579 463405895 /nfs/dbraw/zinc/40/58/95/463405895.db2.gz GEWFGBPAECBTIW-CYBMUJFWSA-N 0 0 347.378 2.341 50 30 EEEARN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1 ZINC000033024011 518957489 /nfs/dbraw/zinc/95/74/89/518957489.db2.gz ZJUKMYBGXYTHCU-UHFFFAOYSA-N 0 0 348.424 2.325 50 30 EEEARN CC(C)(C)c1ccc(C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000101043873 519019772 /nfs/dbraw/zinc/01/97/72/519019772.db2.gz UZOPXNPDVPUDHQ-VLGSPTGOSA-N 0 0 341.411 2.240 50 30 EEEARN O=S(=O)(/N=C(\c1ccc(F)cc1)N1CCOCC1)c1ccccc1 ZINC000017836806 682770478 /nfs/dbraw/zinc/77/04/78/682770478.db2.gz HNHAIPQQRGXPLX-HTXNQAPBSA-N 0 0 348.399 2.293 50 30 EEEARN Cc1ccc(C#N)c(N2CCCN(C(=O)CCc3ccncc3)CC2)n1 ZINC001057255964 1242809412 /nfs/dbraw/zinc/80/94/12/1242809412.db2.gz BJDRIOHWSHVBJA-UHFFFAOYSA-N 0 0 349.438 2.328 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccc1OCC ZINC000004716211 210257534 /nfs/dbraw/zinc/25/75/34/210257534.db2.gz NZLUNQKSQAEUPW-OAHLLOKOSA-N 0 0 341.371 2.090 50 30 EEEARN C=C(C)CN1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1 ZINC000054284379 214229295 /nfs/dbraw/zinc/22/92/95/214229295.db2.gz XILMQSYMPGNRPG-UHFFFAOYSA-N 0 0 342.395 2.136 50 30 EEEARN C=CCN(C(C)=O)[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000100884286 219110060 /nfs/dbraw/zinc/11/00/60/219110060.db2.gz LCIDFOCHIOZUNP-MRXNPFEDSA-N 0 0 330.384 2.142 50 30 EEEARN CCc1c(C#N)c(N)nc(S[C@H](C(N)=O)c2ccccc2)c1C#N ZINC000019867707 202023249 /nfs/dbraw/zinc/02/32/49/202023249.db2.gz FGQIKVMUUPNDOL-AWEZNQCLSA-N 0 0 337.408 2.288 50 30 EEEARN C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000021676200 202068573 /nfs/dbraw/zinc/06/85/73/202068573.db2.gz KYLUIDJCPKGSTA-GFCCVEGCSA-N 0 0 328.393 2.453 50 30 EEEARN Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)on1 ZINC000029049710 202180683 /nfs/dbraw/zinc/18/06/83/202180683.db2.gz CNYGODIUOYTLOS-HNNXBMFYSA-N 0 0 328.347 2.145 50 30 EEEARN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C/c2ccncc2)CC1 ZINC000029174052 202182359 /nfs/dbraw/zinc/18/23/59/202182359.db2.gz DNTODAZJGBHCQK-DAFODLJHSA-N 0 0 349.394 2.181 50 30 EEEARN CC(C)c1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000029452359 202186821 /nfs/dbraw/zinc/18/68/21/202186821.db2.gz MYGPHSHPMQJQHJ-CYBMUJFWSA-N 0 0 326.404 2.343 50 30 EEEARN Cc1sc2nc(SCC(=O)N(C)CCC#N)nc(N)c2c1C ZINC000023107778 212347733 /nfs/dbraw/zinc/34/77/33/212347733.db2.gz PDXVSMQQONEWLT-UHFFFAOYSA-N 0 0 335.458 2.355 50 30 EEEARN CO[C@@H]1CCOC[C@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000218356371 241314666 /nfs/dbraw/zinc/31/46/66/241314666.db2.gz QOKPHDGSMIRAAD-SJLPKXTDSA-N 0 0 329.396 2.113 50 30 EEEARN C=CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)n[nH]c1=S ZINC000020416325 212126490 /nfs/dbraw/zinc/12/64/90/212126490.db2.gz LEVXCARBYRYMKS-UHFFFAOYSA-N 0 0 342.421 2.232 50 30 EEEARN O=C1C=C(NC2=C[C@@H]3O[C@H](c4ccccc4)OC[C@@H]3OC2=O)CCC1 ZINC000019924579 212084737 /nfs/dbraw/zinc/08/47/37/212084737.db2.gz WIDOMGFQDHPMIW-JENIJYKNSA-N 0 0 341.363 2.136 50 30 EEEARN C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000077424341 203386833 /nfs/dbraw/zinc/38/68/33/203386833.db2.gz QUQBHMGNABAXNN-LBPRGKRZSA-N 0 0 349.394 2.036 50 30 EEEARN COC(=O)[C@H]1C([O-])=C(C=[NH+]CCc2ccccc2)C(=O)CC1(C)C ZINC000100318982 203992452 /nfs/dbraw/zinc/99/24/52/203992452.db2.gz OCLUNMZKXQGIFE-WCRPCQDQSA-N 0 0 329.396 2.060 50 30 EEEARN C=CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000011985386 211275886 /nfs/dbraw/zinc/27/58/86/211275886.db2.gz RRQUKZVHXIVJFI-UHFFFAOYSA-N 0 0 335.477 2.244 50 30 EEEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3cc(C)no3)sc2C1 ZINC000012422424 207144221 /nfs/dbraw/zinc/14/42/21/207144221.db2.gz ZBYHECQFTJOEHX-UHFFFAOYSA-N 0 0 330.369 2.073 50 30 EEEARN CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)C1(C#N)CCCCC1 ZINC000006610494 258052335 /nfs/dbraw/zinc/05/23/35/258052335.db2.gz WAOFIXIPTRTHTE-UHFFFAOYSA-N 0 0 344.367 2.257 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)[C@@H]3CCCO3)sc2C1 ZINC000003362605 264005667 /nfs/dbraw/zinc/00/56/67/264005667.db2.gz QZXQVRLOCPOAQL-MFKMUULPSA-N 0 0 348.424 2.405 50 30 EEEARN CCCOc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000071279291 276019910 /nfs/dbraw/zinc/01/99/10/276019910.db2.gz XRXAPFACDOBNMO-UHFFFAOYSA-N 0 0 331.416 2.430 50 30 EEEARN COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1ccc(C)cc1 ZINC000000478859 462565793 /nfs/dbraw/zinc/56/57/93/462565793.db2.gz JBHGSGHRSFQTKH-VXLYETTFSA-N 0 0 343.408 2.390 50 30 EEEARN COc1cccc(/C=N/N2CC(=O)N(c3ccccc3F)CC2=O)c1 ZINC000000160318 462544158 /nfs/dbraw/zinc/54/41/58/462544158.db2.gz INAPOXAOTUJKAB-KEBDBYFISA-N 0 0 341.342 2.044 50 30 EEEARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000000514529 462568005 /nfs/dbraw/zinc/56/80/05/462568005.db2.gz ULYXVHKJDJVGFJ-UHFFFAOYSA-N 0 0 343.408 2.126 50 30 EEEARN COC(CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1)OC ZINC000000813444 462573175 /nfs/dbraw/zinc/57/31/75/462573175.db2.gz BRZAAUXGJNFBNW-AWEZNQCLSA-N 0 0 339.775 2.243 50 30 EEEARN N#Cc1ccc(-c2cccs2)nc1SCc1cc(=O)[nH]c(=O)[nH]1 ZINC000002208157 462591436 /nfs/dbraw/zinc/59/14/36/462591436.db2.gz STDRMZAQZLLTAU-UHFFFAOYSA-N 0 0 342.405 2.351 50 30 EEEARN CN(C)/C=N/c1c(C#N)cnn1-c1ncnc2sc3c(c21)CCC3 ZINC000004284168 462631104 /nfs/dbraw/zinc/63/11/04/462631104.db2.gz PDACNBQPPQQYIJ-AWQFTUOYSA-N 0 0 337.412 2.459 50 30 EEEARN O=C1[C@H]2C(=C3C(=O)C=C[C@@H]2N3c2ccccc2)C(O)N1c1ccccc1 ZINC000004406315 462631642 /nfs/dbraw/zinc/63/16/42/462631642.db2.gz KCUXRZNMROURKA-WZGPROSRSA-N 0 0 344.370 2.189 50 30 EEEARN C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000004523312 462633935 /nfs/dbraw/zinc/63/39/35/462633935.db2.gz SQTGPQWKMLKEBP-UKTHLTGXSA-N 0 0 325.371 2.359 50 30 EEEARN N#CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccncc2)C1=O ZINC000004545739 462634019 /nfs/dbraw/zinc/63/40/19/462634019.db2.gz MXXFPDWFNYIEMX-IBGZPJMESA-N 0 0 335.363 2.193 50 30 EEEARN Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C ZINC000006790743 462705890 /nfs/dbraw/zinc/70/58/90/462705890.db2.gz QFSXLNALHOOHBG-UHFFFAOYSA-N 0 0 343.408 2.369 50 30 EEEARN CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000012343281 462850643 /nfs/dbraw/zinc/85/06/43/462850643.db2.gz PRXZGLNQUFDJFZ-LDADJPATSA-N 0 0 331.397 2.348 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C#N)c2)n1 ZINC000013522252 462894692 /nfs/dbraw/zinc/89/46/92/462894692.db2.gz QFYIYAUACHUXBW-UHFFFAOYSA-N 0 0 328.397 2.325 50 30 EEEARN C[C@H]1CN(c2ccc(NC(=S)NNCCC#N)cc2)C[C@H](C)O1 ZINC000013658699 462898818 /nfs/dbraw/zinc/89/88/18/462898818.db2.gz REXZRPYKFHVALD-STQMWFEESA-N 0 0 333.461 2.416 50 30 EEEARN N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)n1 ZINC000091872676 462911936 /nfs/dbraw/zinc/91/19/36/462911936.db2.gz AHJVQDWDOXTWPX-SWLSCSKDSA-N 0 0 339.424 2.037 50 30 EEEARN N#Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014240597 462921077 /nfs/dbraw/zinc/92/10/77/462921077.db2.gz NBIRSYAGLIWGTQ-UHFFFAOYSA-N 0 0 338.323 2.225 50 30 EEEARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C#N)c1 ZINC000015403377 462951824 /nfs/dbraw/zinc/95/18/24/462951824.db2.gz YMMQYERMONDVMQ-UHFFFAOYSA-N 0 0 341.436 2.371 50 30 EEEARN N#CCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000016735862 462988753 /nfs/dbraw/zinc/98/87/53/462988753.db2.gz IHJKZTCETCCZET-LLVKDONJSA-N 0 0 347.440 2.388 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000126388826 463632066 /nfs/dbraw/zinc/63/20/66/463632066.db2.gz XQYBQPIPGJTVAR-ZDUSSCGKSA-N 0 0 331.335 2.433 50 30 EEEARN Cc1onc(CC(=O)N2CCN([C@H](C)c3ccsc3)CC2)c1C#N ZINC000331828367 466261303 /nfs/dbraw/zinc/26/13/03/466261303.db2.gz JFRFGOYCOYEYDC-GFCCVEGCSA-N 0 0 344.440 2.364 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCOC[C@@H]3C)sc2C1 ZINC000026451072 518179820 /nfs/dbraw/zinc/17/98/20/518179820.db2.gz BVUVBEGZQGRPAK-NEPJUHHUSA-N 0 0 333.457 2.404 50 30 EEEARN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(=O)N(C)C)C1 ZINC000065388066 526906760 /nfs/dbraw/zinc/90/67/60/526906760.db2.gz FVQAUAPIFVVXGA-INIZCTEOSA-N 0 0 345.418 2.181 50 30 EEEARN CC(C)N(CC(N)=O)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000031345433 683399267 /nfs/dbraw/zinc/39/92/67/683399267.db2.gz ZJRCFRDIGUJXKQ-LICLKQGHSA-N 0 0 329.444 2.063 50 30 EEEARN O=C(C(Br)=CNCCCn1ccnc1)C(F)(F)F ZINC000004405054 1204181511 /nfs/dbraw/zinc/18/15/11/1204181511.db2.gz RTNJJZOUMQXKQJ-VURMDHGXSA-N 0 0 326.116 2.231 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 ZINC000056906498 214394470 /nfs/dbraw/zinc/39/44/70/214394470.db2.gz HZAUUTSDMLOGIU-ZDUSSCGKSA-N 0 0 349.799 2.061 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004113714 210122966 /nfs/dbraw/zinc/12/29/66/210122966.db2.gz KFPYQGUSASACNJ-OAHLLOKOSA-N 0 0 332.356 2.061 50 30 EEEARN C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012609982 201858620 /nfs/dbraw/zinc/85/86/20/201858620.db2.gz JDDXWBXZOYDQLI-QWRGUYRKSA-N 0 0 339.424 2.389 50 30 EEEARN Cc1nn(C[C@H](O)COc2ccccc2C(C)C)c(=O)c(C#N)c1C ZINC000012766207 201864958 /nfs/dbraw/zinc/86/49/58/201864958.db2.gz CDRGMPMQPOFIGR-HNNXBMFYSA-N 0 0 341.411 2.295 50 30 EEEARN N#Cc1cccc(C(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012823216 201869930 /nfs/dbraw/zinc/86/99/30/201869930.db2.gz XKKQDOGXKWMJOW-INIZCTEOSA-N 0 0 332.425 2.130 50 30 EEEARN C[C@@H]1CCC[C@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000019823344 202022050 /nfs/dbraw/zinc/02/20/50/202022050.db2.gz RLYPQFNJRZEZOM-CPUCHLNUSA-N 0 0 343.427 2.454 50 30 EEEARN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1C#N ZINC000026830758 202149048 /nfs/dbraw/zinc/14/90/48/202149048.db2.gz MLEQCINZNQRHQF-UHFFFAOYSA-N 0 0 331.353 2.287 50 30 EEEARN C[C@@H]1NC(C(=O)Nc2ccc(CC#N)cc2)=NN(c2ccccc2)C1=O ZINC000031545735 202205565 /nfs/dbraw/zinc/20/55/65/202205565.db2.gz LSWPBSQENWFMDE-ZDUSSCGKSA-N 0 0 347.378 2.030 50 30 EEEARN CC[C@H]1CN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC[C@@]1(C)O ZINC000067803334 202335211 /nfs/dbraw/zinc/33/52/11/202335211.db2.gz VTRKAKQAYZWQTC-FXAWDEMLSA-N 0 0 329.440 2.432 50 30 EEEARN CC(C)c1nc(CN2CC[C@H](CNc3ccc(C#N)cn3)C2)no1 ZINC000065531042 201155818 /nfs/dbraw/zinc/15/58/18/201155818.db2.gz GBPXGEKZAFSULR-CQSZACIVSA-N 0 0 326.404 2.394 50 30 EEEARN COc1cc(/C=N/c2ccc(C(N)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000000095968 201434431 /nfs/dbraw/zinc/43/44/31/201434431.db2.gz IABLBODMMPNJCJ-GIJQJNRQSA-N 0 0 329.312 2.462 50 30 EEEARN N#C[C@@H]1CCCN(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 ZINC000426563436 241311140 /nfs/dbraw/zinc/31/11/40/241311140.db2.gz MHDLEMUIEVLJGB-ZDUSSCGKSA-N 0 0 327.363 2.457 50 30 EEEARN CC(C)c1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nccc2n1 ZINC000072143351 203169397 /nfs/dbraw/zinc/16/93/97/203169397.db2.gz ZEJYYARNKCNKTO-UHFFFAOYSA-N 0 0 347.426 2.446 50 30 EEEARN Cc1ccc(NC(=O)N2CCC3(CN(C)C(=O)O3)CC2)cc1C#N ZINC000096180882 203850727 /nfs/dbraw/zinc/85/07/27/203850727.db2.gz IZWLYNMVSQTXKT-UHFFFAOYSA-N 0 0 328.372 2.315 50 30 EEEARN C=CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000005033931 210370014 /nfs/dbraw/zinc/37/00/14/210370014.db2.gz TVFFCTJADBSHGW-UHFFFAOYSA-N 0 0 334.759 2.339 50 30 EEEARN CCN1C(=O)/C(=N/N=c2\sc3ccccc3n2C)SC1=S ZINC000004773805 210274862 /nfs/dbraw/zinc/27/48/62/210274862.db2.gz UTULQGASKVJINS-LOQWIJHWSA-N 0 0 336.467 2.334 50 30 EEEARN CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3F)[C@]21C#N ZINC000019857649 286009566 /nfs/dbraw/zinc/00/95/66/286009566.db2.gz JLVQOIUVWRBVHK-FVQBIDKESA-N 0 0 328.347 2.040 50 30 EEEARN O=C1C=C/C(=N\S(=O)(=O)c2ccccc2)C=C1Br ZINC000000207178 280247827 /nfs/dbraw/zinc/24/78/27/280247827.db2.gz VDYNYVPMYSHCMG-NTEUORMPSA-N 0 0 326.171 2.234 50 30 EEEARN COc1cc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)cc(OC)c1O ZINC000018195941 295025410 /nfs/dbraw/zinc/02/54/10/295025410.db2.gz OCDCSLQRLNJUAL-HNNXBMFYSA-N 0 0 342.355 2.023 50 30 EEEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N=C(NN=Cc2ccco2)S1 ZINC000000507201 462567388 /nfs/dbraw/zinc/56/73/88/462567388.db2.gz PVQSWVJASJUFDE-VZWMTCDZSA-N 0 0 342.380 2.230 50 30 EEEARN COc1cc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2nccs2)ccc1O ZINC000000551718 462570342 /nfs/dbraw/zinc/57/03/42/462570342.db2.gz IYHIAWPJCJFCFC-ZDUSSCGKSA-N 0 0 346.364 2.346 50 30 EEEARN C(=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1)c1ccco1 ZINC000004178755 462629315 /nfs/dbraw/zinc/62/93/15/462629315.db2.gz IIXBKVUZERGDNJ-SFQUDFHCSA-N 0 0 327.392 2.111 50 30 EEEARN CCOc1cc(C=NNc2[nH]c(=O)nnc2C)ccc1OC(C)C ZINC000004368055 462631529 /nfs/dbraw/zinc/63/15/29/462631529.db2.gz LUHKODREWZPOBU-RQZCQDPDSA-N 0 0 331.376 2.105 50 30 EEEARN N#CC1(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCCC1 ZINC000005253894 462652229 /nfs/dbraw/zinc/65/22/29/462652229.db2.gz AOSIJXWRYASDLP-UHFFFAOYSA-N 0 0 330.775 2.002 50 30 EEEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccncc1 ZINC000005998121 462675479 /nfs/dbraw/zinc/67/54/79/462675479.db2.gz ZEWXQDLDMWAIJE-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN Cn1c(SCC(=O)Nc2sccc2C#N)nnc1C(F)(F)F ZINC000006452551 462686535 /nfs/dbraw/zinc/68/65/35/462686535.db2.gz UOLPRMHXHDHYET-UHFFFAOYSA-N 0 0 347.347 2.498 50 30 EEEARN N#Cc1ncn(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000013005436 462881775 /nfs/dbraw/zinc/88/17/75/462881775.db2.gz RPWCLJNMVYRLOQ-UHFFFAOYSA-N 0 0 341.758 2.380 50 30 EEEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)Cn2cnc(C#N)n2)c1C#N ZINC000014144605 462914582 /nfs/dbraw/zinc/91/45/82/462914582.db2.gz SMEVPRFQXWUFTL-UHFFFAOYSA-N 0 0 345.366 2.068 50 30 EEEARN COCc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000014186246 462917283 /nfs/dbraw/zinc/91/72/83/462917283.db2.gz PEUBAUDNYVVBHW-SCLBCKFNSA-N 0 0 332.400 2.433 50 30 EEEARN CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000017169601 462996768 /nfs/dbraw/zinc/99/67/68/462996768.db2.gz MJFLHPTUFDDZAL-ZDUSSCGKSA-N 0 0 330.384 2.127 50 30 EEEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CO)cc1 ZINC000018088343 463005135 /nfs/dbraw/zinc/00/51/35/463005135.db2.gz RSNFETWWZIRPOF-MRXNPFEDSA-N 0 0 339.347 2.223 50 30 EEEARN Cc1c(C#N)c2ccccc2n1CC(=O)NCc1[nH]nc2c1CCC2 ZINC000067965940 463074192 /nfs/dbraw/zinc/07/41/92/463074192.db2.gz SHKWIUGBEMASIO-UHFFFAOYSA-N 0 0 333.395 2.350 50 30 EEEARN CCCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000095902500 463108332 /nfs/dbraw/zinc/10/83/32/463108332.db2.gz JASUVAQHXJPEIQ-UHFFFAOYSA-N 0 0 343.225 2.156 50 30 EEEARN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n1 ZINC000122140129 463241962 /nfs/dbraw/zinc/24/19/62/463241962.db2.gz KZEPLGSHOISFNY-CYBMUJFWSA-N 0 0 339.399 2.077 50 30 EEEARN Cc1cccc(NC(=O)COc2ccc(/C=N\n3cnnc3)cc2)c1 ZINC000032657387 463386409 /nfs/dbraw/zinc/38/64/09/463386409.db2.gz FKCRUZHAMFWNKJ-FBHDLOMBSA-N 0 0 335.367 2.486 50 30 EEEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000032916074 463402556 /nfs/dbraw/zinc/40/25/56/463402556.db2.gz NCTLEXHKPIZDAT-GFCCVEGCSA-N 0 0 343.408 2.421 50 30 EEEARN Cn1cc(CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1C#N ZINC000082138465 463517939 /nfs/dbraw/zinc/51/79/39/463517939.db2.gz NONWSCAIYDZFRA-UHFFFAOYSA-N 0 0 328.803 2.399 50 30 EEEARN C=CCN1C[C@H](C(=O)N(CC)CCOc2ccccc2F)CCC1=O ZINC000055387461 518873082 /nfs/dbraw/zinc/87/30/82/518873082.db2.gz JCKRQTIGZMIIJZ-OAHLLOKOSA-N 0 0 348.418 2.478 50 30 EEEARN CCCCOc1ccc(C=NNc2[nH]c(=O)nnc2C)cc1OC ZINC000003947302 520855079 /nfs/dbraw/zinc/85/50/79/520855079.db2.gz WCIGRTHIODCFTJ-LICLKQGHSA-N 0 0 331.376 2.107 50 30 EEEARN CN(C(=O)COC(=O)c1n[nH]c2ccccc21)C1(C#N)CCCCC1 ZINC000005360875 523832121 /nfs/dbraw/zinc/83/21/21/523832121.db2.gz KWPFTIFCKPXBMM-UHFFFAOYSA-N 0 0 340.383 2.405 50 30 EEEARN N=C(NOS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1 ZINC000005094590 526812815 /nfs/dbraw/zinc/81/28/15/526812815.db2.gz XWTYVQMMOGMPPY-UHFFFAOYSA-N 0 0 327.365 2.261 50 30 EEEARN C=CC[N+](CC)(CC)CCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000299738319 564150479 /nfs/dbraw/zinc/15/04/79/564150479.db2.gz UWCAWTXJSNHLNF-UHFFFAOYSA-O 0 0 344.435 2.418 50 30 EEEARN C=CCC1(CC=C)CCCCN1C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000055358430 214311161 /nfs/dbraw/zinc/31/11/61/214311161.db2.gz BTSBUWPAVKYXKW-AWEZNQCLSA-N 0 0 333.432 2.172 50 30 EEEARN CS(=O)(=O)c1cccc(C(=O)OCc2ccc(C#N)cc2F)c1 ZINC000011283907 201807094 /nfs/dbraw/zinc/80/70/94/201807094.db2.gz CVQNPBVQGDJTNS-UHFFFAOYSA-N 0 0 333.340 2.458 50 30 EEEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)C1CCCC1 ZINC000016006065 201970063 /nfs/dbraw/zinc/97/00/63/201970063.db2.gz UXLNWIFUPLQSNW-UHFFFAOYSA-N 0 0 335.429 2.286 50 30 EEEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCCCN1CCOCC1 ZINC000019862940 202023501 /nfs/dbraw/zinc/02/35/01/202023501.db2.gz HLTDXANTFUCEHH-UHFFFAOYSA-N 0 0 330.363 2.487 50 30 EEEARN Cc1ccccc1OCc1nc(C#N)c(NCCN2CCOCC2)o1 ZINC000019938318 202027644 /nfs/dbraw/zinc/02/76/44/202027644.db2.gz TYSHPYKUYXODRJ-UHFFFAOYSA-N 0 0 342.399 2.178 50 30 EEEARN COc1cc(-c2c(C#N)c(N)nc(OC)c2C#N)cc(OC)c1OC ZINC000020051265 202030702 /nfs/dbraw/zinc/03/07/02/202030702.db2.gz GZOMLBCZNVAPTI-UHFFFAOYSA-N 0 0 340.339 2.109 50 30 EEEARN COc1ccc(OC)c(CN2CCN(C[C@H](C#N)CCC#N)CC2)c1 ZINC000032679739 202230001 /nfs/dbraw/zinc/23/00/01/202230001.db2.gz WZMAGUWKJVINEB-INIZCTEOSA-N 0 0 342.443 2.265 50 30 EEEARN N#CCCCN1c2ccccc2[C@](O)(CC(=O)c2ccccn2)C1=O ZINC000002841565 236890564 /nfs/dbraw/zinc/89/05/64/236890564.db2.gz WFLGBQKVAJOEKU-LJQANCHMSA-N 0 0 335.363 2.193 50 30 EEEARN C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N(C)C)nc2c1=O ZINC000072430800 216223111 /nfs/dbraw/zinc/22/31/11/216223111.db2.gz YDMAGBHUHUDUNJ-UHFFFAOYSA-N 0 0 340.383 2.261 50 30 EEEARN COc1cc([C@H]2CC(=O)CC(=O)[C@@H]2n2cncn2)cc(OC)c1OC ZINC000001390421 201505387 /nfs/dbraw/zinc/50/53/87/201505387.db2.gz JPWCYIYURVIJFX-MLGOLLRUSA-N 0 0 345.355 2.044 50 30 EEEARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccc(C#N)cc2)[C@@H]1C ZINC000004994197 201631675 /nfs/dbraw/zinc/63/16/75/201631675.db2.gz AUBMZDATDBAYQC-CPUCHLNUSA-N 0 0 344.411 2.421 50 30 EEEARN CC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 ZINC000005182935 201642835 /nfs/dbraw/zinc/64/28/35/201642835.db2.gz WOKLHMUARQICEI-UHFFFAOYSA-N 0 0 346.390 2.493 50 30 EEEARN COC(=O)c1sc(N)c(C(=O)OC)c1COc1ccccc1C#N ZINC000005216055 201643706 /nfs/dbraw/zinc/64/37/06/201643706.db2.gz PUXNWLDOQOFVKA-UHFFFAOYSA-N 0 0 346.364 2.354 50 30 EEEARN CC(=O)c1c(C)oc(NC(=O)Cn2c3ccccc3oc2=O)c1C#N ZINC000095482156 203750262 /nfs/dbraw/zinc/75/02/62/203750262.db2.gz DZKXYLKXXQQSCI-UHFFFAOYSA-N 0 0 339.307 2.209 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1 ZINC000102866391 204052765 /nfs/dbraw/zinc/05/27/65/204052765.db2.gz FBIOKSWIUSQVGO-IDTYTIONSA-N 0 0 327.336 2.348 50 30 EEEARN C=CCNC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000009645703 211110472 /nfs/dbraw/zinc/11/04/72/211110472.db2.gz UUPQNNKNGULMOK-UHFFFAOYSA-N 0 0 335.454 2.009 50 30 EEEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3ccc(Br)cc3)C12 ZINC000018195992 296316967 /nfs/dbraw/zinc/31/69/67/296316967.db2.gz YASSNHLYVLABDL-ZDUSSCGKSA-N 0 0 346.188 2.458 50 30 EEEARN COc1cc([C@H]2CC(=O)CC(=O)[C@H]2n2cncn2)cc(OC)c1OC ZINC000001390419 295025366 /nfs/dbraw/zinc/02/53/66/295025366.db2.gz JPWCYIYURVIJFX-WBMJQRKESA-N 0 0 345.355 2.044 50 30 EEEARN CCOC(=O)c1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1C ZINC000000126144 462543101 /nfs/dbraw/zinc/54/31/01/462543101.db2.gz ZNJKCROIWKCSPS-UFWORHAWSA-N 0 0 342.380 2.220 50 30 EEEARN CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2)c(C#N)c1C ZINC000000375809 462557311 /nfs/dbraw/zinc/55/73/11/462557311.db2.gz HOUVSWGUGPMDFV-AATRIKPKSA-N 0 0 344.396 2.490 50 30 EEEARN C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@@]12O3 ZINC000000485851 462567057 /nfs/dbraw/zinc/56/70/57/462567057.db2.gz SWEOKISNCSPDIY-GFAJBQDWSA-N 0 0 339.391 2.481 50 30 biogenic EEEARN CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 ZINC000000550625 462570690 /nfs/dbraw/zinc/57/06/90/462570690.db2.gz PYADEZJCZPNOMB-CYBMUJFWSA-N 0 0 340.383 2.025 50 30 EEEARN CCC(=O)N=C(NC(=O)CC)Nc1nc(C)c2cc(C)ccc2n1 ZINC000002254080 462591652 /nfs/dbraw/zinc/59/16/52/462591652.db2.gz XIOGIEZIKFPOQM-UHFFFAOYSA-N 0 0 327.388 2.477 50 30 EEEARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CC#N ZINC000003219671 462612273 /nfs/dbraw/zinc/61/22/73/462612273.db2.gz HADQLLUIWKUGNB-UHFFFAOYSA-N 0 0 335.307 2.264 50 30 EEEARN CCOc1ccc(Br)cc1S(=O)(=O)N(C)CCC#N ZINC000003251588 462613342 /nfs/dbraw/zinc/61/33/42/462613342.db2.gz WMZQNJJPEKEDQT-UHFFFAOYSA-N 0 0 347.234 2.382 50 30 EEEARN N=C(NOC(=O)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000004382726 462631662 /nfs/dbraw/zinc/63/16/62/462631662.db2.gz BKYQNWGAFUPKHW-UHFFFAOYSA-N 0 0 327.655 2.458 50 30 EEEARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccccc1OCC#N ZINC000004454001 462631849 /nfs/dbraw/zinc/63/18/49/462631849.db2.gz YFJMPFMHGAZETC-UHFFFAOYSA-N 0 0 339.355 2.243 50 30 EEEARN N#Cc1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000005259918 462653257 /nfs/dbraw/zinc/65/32/57/462653257.db2.gz MIWKLVILWUYJDI-UHFFFAOYSA-N 0 0 346.350 2.426 50 30 EEEARN N#Cc1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000006507353 462688305 /nfs/dbraw/zinc/68/83/05/462688305.db2.gz LNGLMMYIBNGTEX-UHFFFAOYSA-N 0 0 336.395 2.445 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000006787851 462706199 /nfs/dbraw/zinc/70/61/99/462706199.db2.gz AAMTYOVEKSMGRV-UHFFFAOYSA-N 0 0 336.351 2.429 50 30 EEEARN Cc1ccc(-n2c(S[C@H](C)C#N)nnc2N2CCOCC2)cc1 ZINC000009322811 462800537 /nfs/dbraw/zinc/80/05/37/462800537.db2.gz WBLIEJUUBRTYQM-CYBMUJFWSA-N 0 0 329.429 2.417 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1 ZINC000012421012 462853028 /nfs/dbraw/zinc/85/30/28/462853028.db2.gz DMWKDXWVSYKVGX-UHFFFAOYSA-N 0 0 332.385 2.038 50 30 EEEARN O/N=C/c1ccc(OCC(O)COc2ccc(/C=N/O)cc2)cc1 ZINC000013115885 462885906 /nfs/dbraw/zinc/88/59/06/462885906.db2.gz OOANQIVEPJLZLF-VNIJRHKQSA-N 0 0 330.340 2.122 50 30 EEEARN COc1ccc(CCN2CC(=O)C(c3nc(C)cs3)=C2N)cc1 ZINC000013688125 462899445 /nfs/dbraw/zinc/89/94/45/462899445.db2.gz PVIQXEPVDVRGHU-UHFFFAOYSA-N 0 0 329.425 2.215 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000016607130 462983456 /nfs/dbraw/zinc/98/34/56/462983456.db2.gz YAZXPOQLPQDYAE-UHFFFAOYSA-N 0 0 331.397 2.107 50 30 EEEARN O=C1C=C/C(=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccnc21 ZINC000017170732 462997307 /nfs/dbraw/zinc/99/73/07/462997307.db2.gz DZHDQRKJWNXBEM-GZTJUZNOSA-N 0 0 340.251 2.434 50 30 EEEARN C=CCNC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929294 463108424 /nfs/dbraw/zinc/10/84/24/463108424.db2.gz YSLLMIGIPFSWNW-SFHVURJKSA-N 0 0 348.406 2.312 50 30 EEEARN C[C@@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCCC1 ZINC000101063804 463376583 /nfs/dbraw/zinc/37/65/83/463376583.db2.gz CFVLLDQZBVBBSK-BZSIDJSBSA-N 0 0 333.432 2.236 50 30 EEEARN C#CCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1ccnn1C ZINC000101069735 463376715 /nfs/dbraw/zinc/37/67/15/463376715.db2.gz RSUFSLZCTTYVBN-XDJHFCHBSA-N 0 0 332.335 2.089 50 30 EEEARN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102798454 463390925 /nfs/dbraw/zinc/39/09/25/463390925.db2.gz SNHOOTVRFDRRMX-UYTDBDHRSA-N 0 0 341.338 2.240 50 30 EEEARN C=C(C)CN(C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C ZINC000071439477 463416404 /nfs/dbraw/zinc/41/64/04/463416404.db2.gz LXLOYMBYYCMCIZ-OAHLLOKOSA-N 0 0 345.443 2.010 50 30 EEEARN C=CCN(C[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1)C(=O)NCC ZINC000035836045 463432242 /nfs/dbraw/zinc/43/22/42/463432242.db2.gz KKTUOWDMYDFPHZ-CQSZACIVSA-N 0 0 347.415 2.414 50 30 EEEARN CCN1CCCC[C@H]1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000106872434 463545754 /nfs/dbraw/zinc/54/57/54/463545754.db2.gz AMTDIDQDPUHVNA-CABCVRRESA-N 0 0 335.448 2.135 50 30 EEEARN N#Cc1ccccc1C(=O)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000222528561 464131940 /nfs/dbraw/zinc/13/19/40/464131940.db2.gz DNBPOWNXGLAXHB-UHFFFAOYSA-N 0 0 337.354 2.182 50 30 EEEARN Cc1cc(C#N)ccc1-c1ccc(C(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 ZINC000584904194 468960986 /nfs/dbraw/zinc/96/09/86/468960986.db2.gz LLNUCSGXKOYJJH-OALUTQOASA-N 0 0 336.391 2.101 50 30 EEEARN C=CCN1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000020160922 518862057 /nfs/dbraw/zinc/86/20/57/518862057.db2.gz DSKMGIDYQLIRQU-UHFFFAOYSA-N 0 0 339.233 2.158 50 30 EEEARN C=CCNc1ccccc1C(=O)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000055360385 518961140 /nfs/dbraw/zinc/96/11/40/518961140.db2.gz FZDBCBJWZLPFKF-UHFFFAOYSA-N 0 0 348.410 2.437 50 30 EEEARN CC/N=C1\SC(CC(=O)NCCc2ccccc2)C(=O)N1CC ZINC000004699842 520209641 /nfs/dbraw/zinc/20/96/41/520209641.db2.gz IETKDGWGRWGTIS-MGPWXQLLSA-N 0 0 333.457 2.075 50 30 EEEARN N#CCCN(CCC#N)C(=O)COC(=O)c1cc(Cl)ccc1F ZINC000022886646 526455377 /nfs/dbraw/zinc/45/53/77/526455377.db2.gz MHJXQWNFYWCOGZ-UHFFFAOYSA-N 0 0 337.738 2.292 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)Nc1ccccc1F ZINC000090743939 527091827 /nfs/dbraw/zinc/09/18/27/527091827.db2.gz MMQCOQWLWUWKME-UHFFFAOYSA-N 0 0 341.342 2.129 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCCOc2ccccc2F)o1 ZINC000828166490 800617777 /nfs/dbraw/zinc/61/77/77/800617777.db2.gz OVHAELHDONMGEL-UHFFFAOYSA-N 0 0 331.343 2.350 50 30 EEEARN CN(C)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013657684 201907118 /nfs/dbraw/zinc/90/71/18/201907118.db2.gz PBKMOQKLVMSLBX-UHFFFAOYSA-N 0 0 342.490 2.036 50 30 EEEARN CN(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000004004757 210099147 /nfs/dbraw/zinc/09/91/47/210099147.db2.gz RSWIMESCJHXVEJ-LICLKQGHSA-N 0 0 348.384 2.059 50 30 EEEARN N#CCC(=O)Nc1ccc(C(=O)OCc2nccn2C(F)F)cc1 ZINC000014094344 201925319 /nfs/dbraw/zinc/92/53/19/201925319.db2.gz KSYBIHBQPNGOAM-UHFFFAOYSA-N 0 0 334.282 2.487 50 30 EEEARN C=CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000002949001 209945567 /nfs/dbraw/zinc/94/55/67/209945567.db2.gz QISOJEYWVZSJIY-KAMYIIQDSA-N 0 0 341.323 2.261 50 30 EEEARN Cc1cccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)c1 ZINC000019973722 202029033 /nfs/dbraw/zinc/02/90/33/202029033.db2.gz SCIRJUYNSMNMBJ-UHFFFAOYSA-N 0 0 342.399 2.178 50 30 EEEARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1cnc(C#N)n1 ZINC000021914936 202074346 /nfs/dbraw/zinc/07/43/46/202074346.db2.gz MHJPFXCSMMBUTQ-UHFFFAOYSA-N 0 0 339.443 2.423 50 30 EEEARN CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCCC1 ZINC000024836347 202121394 /nfs/dbraw/zinc/12/13/94/202121394.db2.gz KKYAFGGLLWQGOR-UHFFFAOYSA-N 0 0 349.456 2.283 50 30 EEEARN N#CCC[C@@H](C#N)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000028921584 202178743 /nfs/dbraw/zinc/17/87/43/202178743.db2.gz QSBMNGORQDLPTF-AWEZNQCLSA-N 0 0 328.391 2.463 50 30 EEEARN Cc1ccc(-c2cc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)on2)cc1 ZINC000032780025 202234776 /nfs/dbraw/zinc/23/47/76/202234776.db2.gz QRIWGAMEVIHRMY-UHFFFAOYSA-N 0 0 348.362 2.228 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccccc1C ZINC000101992311 291301836 /nfs/dbraw/zinc/30/18/36/291301836.db2.gz BKEPXBJNGPWEGT-RBOXIYTFSA-N 0 0 327.380 2.251 50 30 EEEARN Cc1sc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C#N)c1C ZINC000022968864 212339453 /nfs/dbraw/zinc/33/94/53/212339453.db2.gz SHALZIRGVWMPSI-VXGBXAGGSA-N 0 0 343.408 2.126 50 30 EEEARN CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000426534489 241307022 /nfs/dbraw/zinc/30/70/22/241307022.db2.gz RFVGMZLYEWCJQQ-CYBMUJFWSA-N 0 0 336.395 2.217 50 30 EEEARN NS(=O)(=O)c1ccc(/N=C/c2c(Cl)nc3sccn23)cc1 ZINC000100329234 203992666 /nfs/dbraw/zinc/99/26/66/203992666.db2.gz UCOLHAWBRSMOPS-VIZOYTHASA-N 0 0 340.817 2.447 50 30 EEEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC ZINC000008995801 211030107 /nfs/dbraw/zinc/03/01/07/211030107.db2.gz URCAVGOUMSWAGQ-LBPRGKRZSA-N 0 0 341.367 2.126 50 30 EEEARN N#Cc1ccsc1NC(=O)COC(=O)Cn1cnc2ccccc21 ZINC000012659035 207189625 /nfs/dbraw/zinc/18/96/25/207189625.db2.gz GRNDPIGCULGLQS-UHFFFAOYSA-N 0 0 340.364 2.151 50 30 EEEARN C=CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000005092356 210388690 /nfs/dbraw/zinc/38/86/90/210388690.db2.gz FANKQBPBFJCBLJ-UKTHLTGXSA-N 0 0 340.335 2.081 50 30 EEEARN C=CCn1c(COc2ccccc2Cl)nnc1SCC(N)=O ZINC000006699214 258044123 /nfs/dbraw/zinc/04/41/23/258044123.db2.gz UGUCXJLRSWDOLY-UHFFFAOYSA-N 0 0 338.820 2.274 50 30 EEEARN C=CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000003552929 275746734 /nfs/dbraw/zinc/74/67/34/275746734.db2.gz VNZAEZRJIQADBA-JTQLQIEISA-N 0 0 336.413 2.042 50 30 EEEARN N#Cc1cc2c(nc1N1CCC3(CC1)OCCC[C@H]3O)CCCC2 ZINC000091849077 294889799 /nfs/dbraw/zinc/88/97/99/294889799.db2.gz CDIHPQUSWSIUQO-QGZVFWFLSA-N 0 0 327.428 2.342 50 30 EEEARN CCc1ccccc1N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N ZINC000000138333 462543542 /nfs/dbraw/zinc/54/35/42/462543542.db2.gz ZORQEXWSNDFKBH-UHFFFAOYSA-N 0 0 346.390 2.202 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000237424 462550314 /nfs/dbraw/zinc/55/03/14/462550314.db2.gz KMQYZWJNPAKLOK-XHDPSFHLSA-N 0 0 346.339 2.058 50 30 EEEARN Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000001399249 462581148 /nfs/dbraw/zinc/58/11/48/462581148.db2.gz TWZLAZDMSDVYLJ-OAHLLOKOSA-N 0 0 331.393 2.080 50 30 EEEARN COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000003474177 462619968 /nfs/dbraw/zinc/61/99/68/462619968.db2.gz CCAZXXXSDZRURA-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003610298 462624908 /nfs/dbraw/zinc/62/49/08/462624908.db2.gz QYXLKWGVCXPLMP-SECBINFHSA-N 0 0 349.481 2.346 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccs1 ZINC000004977633 462642718 /nfs/dbraw/zinc/64/27/18/462642718.db2.gz AMWZBCCYNRWMIU-UHFFFAOYSA-N 0 0 331.309 2.323 50 30 EEEARN C=CCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000006766609 462703997 /nfs/dbraw/zinc/70/39/97/462703997.db2.gz XHPUFZTWSXFBSU-UHFFFAOYSA-N 0 0 342.420 2.354 50 30 EEEARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)NC1(C#N)CCCC1 ZINC000007912697 462757030 /nfs/dbraw/zinc/75/70/30/462757030.db2.gz KMRNVHUMFHCAMF-UHFFFAOYSA-N 0 0 348.834 2.163 50 30 EEEARN CSc1nc(NCCOCCO)c(C#N)c(-c2ccccc2)n1 ZINC000007995288 462761926 /nfs/dbraw/zinc/76/19/26/462761926.db2.gz UQEICURWWKPSQE-UHFFFAOYSA-N 0 0 330.413 2.158 50 30 EEEARN COc1ccccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000008577627 462789207 /nfs/dbraw/zinc/78/92/07/462789207.db2.gz JYFTYOVZJHGZKX-UHFFFAOYSA-N 0 0 325.368 2.443 50 30 EEEARN N#Cc1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 ZINC000011591218 462835272 /nfs/dbraw/zinc/83/52/72/462835272.db2.gz DLTGTVOFIDKHMZ-IBGZPJMESA-N 0 0 333.347 2.288 50 30 EEEARN C[C@@H](Sc1ncnc2c1cnn2C)C(=O)NC1(C#N)CCCCC1 ZINC000011681696 462836636 /nfs/dbraw/zinc/83/66/36/462836636.db2.gz ATJBURQSWJHCOX-LLVKDONJSA-N 0 0 344.444 2.187 50 30 EEEARN CNc1snc(C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N ZINC000011752699 462838202 /nfs/dbraw/zinc/83/82/02/462838202.db2.gz UYUNRDVXMVEXKP-UHFFFAOYSA-N 0 0 348.384 2.370 50 30 EEEARN COc1ccccc1CCN1CC(=O)C(c2nc(C)cs2)=C1N ZINC000013689965 462900035 /nfs/dbraw/zinc/90/00/35/462900035.db2.gz IFRFSBVLQMIXBU-UHFFFAOYSA-N 0 0 329.425 2.215 50 30 EEEARN C[C@@H](O)CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000013691021 462900230 /nfs/dbraw/zinc/90/02/30/462900230.db2.gz SJQUBUCZLYKCPN-SECBINFHSA-N 0 0 349.843 2.356 50 30 EEEARN C[C@@H]1C(=O)N(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000014160075 462914812 /nfs/dbraw/zinc/91/48/12/462914812.db2.gz CHYJPXTYHOLWMP-CYBMUJFWSA-N 0 0 348.362 2.354 50 30 EEEARN CCCCN/C(C)=C1\C(=O)C(=O)N(CCOC)[C@H]1c1ccccc1 ZINC000100224851 463372858 /nfs/dbraw/zinc/37/28/58/463372858.db2.gz NBPYTPMJSGEPDO-WAIALKQBSA-N 0 0 330.428 2.449 50 30 EEEARN CCc1nc2ccccc2n1CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000103717584 463406133 /nfs/dbraw/zinc/40/61/33/463406133.db2.gz GEWFGBPAECBTIW-ZDUSSCGKSA-N 0 0 347.378 2.341 50 30 EEEARN C[C@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCCC1 ZINC000104012308 463407154 /nfs/dbraw/zinc/40/71/54/463407154.db2.gz CFVLLDQZBVBBSK-XAGMJWQQSA-N 0 0 333.432 2.236 50 30 EEEARN CN(c1cnc(C#N)cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000124364121 463414028 /nfs/dbraw/zinc/41/40/28/463414028.db2.gz BCJPRMLLOIIVAD-CQSZACIVSA-N 0 0 327.775 2.243 50 30 EEEARN CC(C)(O)C#Cc1ccc(CN2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000670455890 485649898 /nfs/dbraw/zinc/64/98/98/485649898.db2.gz MQIBPRKAYOSSLS-UHFFFAOYSA-N 0 0 340.467 2.253 50 30 EEEARN CCc1nnc(CN(C)C(=O)Nc2n[nH]c(-c3cccc(C)c3)n2)o1 ZINC000023619941 522724659 /nfs/dbraw/zinc/72/46/59/522724659.db2.gz SWACCPBNYZVCBH-UHFFFAOYSA-N 0 0 341.375 2.403 50 30 EEEARN COc1ccc(/C=N/[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004371447 523452459 /nfs/dbraw/zinc/45/24/59/523452459.db2.gz UGPNXGYAEZANPN-LPICFEOCSA-N 0 0 330.340 2.117 50 30 EEEARN N=C(COc1ccc2nonc2c1)NOC(=O)c1ccc(Cl)cc1 ZINC000004362307 526812459 /nfs/dbraw/zinc/81/24/59/526812459.db2.gz MXNUBULPLCVOOC-UHFFFAOYSA-N 0 0 346.730 2.384 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C/c1ccco1 ZINC000005018844 1204245638 /nfs/dbraw/zinc/24/56/38/1204245638.db2.gz VHKNYYRFMIZIII-GQCTYLIASA-N 0 0 341.279 2.255 50 30 EEEARN Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000952976595 796121181 /nfs/dbraw/zinc/12/11/81/796121181.db2.gz GRKWIFFAYFZOMK-UHFFFAOYSA-N 0 0 344.440 2.262 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000006886556 201704108 /nfs/dbraw/zinc/70/41/08/201704108.db2.gz YGMZYYDGHDSGNY-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN CCNC(=S)N=NCc1cc(Br)c(O)c(OC)c1 ZINC000055416892 214322742 /nfs/dbraw/zinc/32/27/42/214322742.db2.gz NOZXQJSQXYFPKE-NSIKDUERSA-N 0 0 332.223 2.393 50 30 EEEARN N#Cc1ccc(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012976884 201878609 /nfs/dbraw/zinc/87/86/09/201878609.db2.gz GTSJLVVZICTEFE-MRXNPFEDSA-N 0 0 330.409 2.341 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)Nc2ccccc2F)nc1N ZINC000018240443 201996090 /nfs/dbraw/zinc/99/60/90/201996090.db2.gz ZMDWGECVFIWGIG-UHFFFAOYSA-N 0 0 327.344 2.277 50 30 EEEARN CC1(C)C[C@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4O)CCO1 ZINC000019331541 202004171 /nfs/dbraw/zinc/00/41/71/202004171.db2.gz ZIFJKFKHHJEKHG-MNWHUMDKSA-N 0 0 347.503 2.210 50 30 biogenic EEEARN N#Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000016090081 283183589 /nfs/dbraw/zinc/18/35/89/283183589.db2.gz HGCMFICVXNLPSA-UHFFFAOYSA-N 0 0 331.349 2.487 50 30 EEEARN CCOC(=O)c1sc(NC(=O)c2nn(C)cc2C)c(C#N)c1C ZINC000038488110 202136368 /nfs/dbraw/zinc/13/63/68/202136368.db2.gz SJIUAMFYRIJPDA-UHFFFAOYSA-N 0 0 332.385 2.399 50 30 EEEARN N#Cc1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000007268458 201362719 /nfs/dbraw/zinc/36/27/19/201362719.db2.gz MFXATFFWTUWFGD-UHFFFAOYSA-N 0 0 340.383 2.142 50 30 EEEARN COc1ccc(CNC(=O)COc2ccccc2C#N)cc1OC ZINC000003445178 201360944 /nfs/dbraw/zinc/36/09/44/201360944.db2.gz GDEGQZQMIAFYQP-UHFFFAOYSA-N 0 0 326.352 2.271 50 30 EEEARN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000097203666 201384108 /nfs/dbraw/zinc/38/41/08/201384108.db2.gz OLNJNJGDSIMNMI-KGLIPLIRSA-N 0 0 348.472 2.248 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000101348028 291301482 /nfs/dbraw/zinc/30/14/82/291301482.db2.gz OWWUNWWEYSRQAA-FMSQNYNMSA-N 0 0 331.343 2.081 50 30 EEEARN CC1(C)Cc2ccccc2C2=C(C(=O)N3CCCCC3)C(=O)C(=O)N21 ZINC000002053276 201524725 /nfs/dbraw/zinc/52/47/25/201524725.db2.gz RTEQYHPEWQWVDH-UHFFFAOYSA-N 0 0 338.407 2.156 50 30 EEEARN N#Cc1c2c(sc1NC(=O)C(=O)NCc1ccncc1)CCCC2 ZINC000004840529 201622502 /nfs/dbraw/zinc/62/25/02/201622502.db2.gz KNCVKQNNICSBAY-UHFFFAOYSA-N 0 0 340.408 2.148 50 30 EEEARN CC1(C)CCC[C@@](C)(C#CCN2CCN(c3ncccn3)CC2)O1 ZINC000012402424 211368752 /nfs/dbraw/zinc/36/87/52/211368752.db2.gz RKPPJZDPWBMYNC-IBGZPJMESA-N 0 0 328.460 2.340 50 30 EEEARN O=C(Cc1ccccc1)NC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)N1 ZINC000001276240 284836676 /nfs/dbraw/zinc/83/66/76/284836676.db2.gz PPVCQTDAWOGYEM-HNNXBMFYSA-N 0 0 347.378 2.389 50 30 EEEARN C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000012421455 207143868 /nfs/dbraw/zinc/14/38/68/207143868.db2.gz KJIFNSITQOVFSQ-QFBILLFUSA-N 0 0 334.435 2.127 50 30 EEEARN Cc1csc(C2=C(N)N(c3ccc4oc(=O)ccc4c3)CC2=O)n1 ZINC000013689781 207524180 /nfs/dbraw/zinc/52/41/80/207524180.db2.gz JICVDXUCUXDCFC-UHFFFAOYSA-N 0 0 339.376 2.275 50 30 EEEARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@]3(O)[C@H]1CC[C@H]2C(=O)CO ZINC000257346371 258073658 /nfs/dbraw/zinc/07/36/58/258073658.db2.gz YWRPKJIIPJSLLJ-CCEQCLNRSA-N 0 0 332.440 2.421 50 30 EEEARN CCOC1(OCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3F)[C@@]21C#N ZINC000169705265 286009559 /nfs/dbraw/zinc/00/95/59/286009559.db2.gz JLVQOIUVWRBVHK-BPUTZDHNSA-N 0 0 328.347 2.040 50 30 EEEARN COCCCN1C[C@]2(CCCN(c3ncccc3C#N)C2)CCC1=O ZINC000072479015 292354784 /nfs/dbraw/zinc/35/47/84/292354784.db2.gz KLEFFSGONLXOPX-IBGZPJMESA-N 0 0 342.443 2.199 50 30 EEEARN COc1ccc(F)cc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000122577914 222117028 /nfs/dbraw/zinc/11/70/28/222117028.db2.gz JFEIZRXKRIQFJG-UHFFFAOYSA-N 0 0 326.375 2.423 50 30 EEEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)n2ncnc2n1 ZINC000036619211 280376007 /nfs/dbraw/zinc/37/60/07/280376007.db2.gz FGXKZHIFDFEGOH-UHFFFAOYSA-N 0 0 338.396 2.497 50 30 EEEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)ccc1O ZINC000012349120 295025397 /nfs/dbraw/zinc/02/53/97/295025397.db2.gz KXQMUFZHQQNREE-HNNXBMFYSA-N 0 0 341.371 2.045 50 30 EEEARN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(N)=O)[C@H]1c1ccco1 ZINC000015998902 303139091 /nfs/dbraw/zinc/13/90/91/303139091.db2.gz GQBPQIBYXRTVJF-BRWVUGGUSA-N 0 0 330.347 2.292 50 30 EEEARN N#CCNC1(c2nnnn2-c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000035170790 303155878 /nfs/dbraw/zinc/15/58/78/303155878.db2.gz FKCNLCORQWJAAO-UHFFFAOYSA-N 0 0 334.427 2.427 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000237388 462550092 /nfs/dbraw/zinc/55/00/92/462550092.db2.gz KMQYZWJNPAKLOK-IAQYHMDHSA-N 0 0 346.339 2.058 50 30 EEEARN CCc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O ZINC000000582985 462571054 /nfs/dbraw/zinc/57/10/54/462571054.db2.gz KWPCHUFVOCEQKH-UHFFFAOYSA-N 0 0 339.395 2.376 50 30 EEEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/[C@@H]3CCS(=O)(=O)C3)o2)c1 ZINC000001099110 462578222 /nfs/dbraw/zinc/57/82/22/462578222.db2.gz FASKTSYODKKWEU-GFQQVXNGSA-N 0 0 334.353 2.461 50 30 EEEARN CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@H](O)C3 ZINC000001535513 462583469 /nfs/dbraw/zinc/58/34/69/462583469.db2.gz JDTZAGLGBRRCJT-JTQLQIEISA-N 0 0 330.409 2.217 50 30 in-vitro EEEARN Cc1cc(F)ccc1S(=O)(=O)ON1C(=O)c2ccccc2C1=O ZINC000002685098 462599226 /nfs/dbraw/zinc/59/92/26/462599226.db2.gz KCBHYFBKDCBYEY-UHFFFAOYSA-N 0 0 335.312 2.051 50 30 EEEARN CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C ZINC000005377233 462657540 /nfs/dbraw/zinc/65/75/40/462657540.db2.gz UMTFUYSOVJKKDE-UBQVSUSGSA-N 0 0 338.454 2.006 50 30 EEEARN C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC1(C#N)CCCCC1 ZINC000006609993 462693093 /nfs/dbraw/zinc/69/30/93/462693093.db2.gz HBMRRRLDWGAXHF-LBPRGKRZSA-N 0 0 344.367 2.303 50 30 EEEARN C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)NC1(C#N)CCCCC1 ZINC000007738408 462748753 /nfs/dbraw/zinc/74/87/53/462748753.db2.gz OHYFKVFBGVBWPO-ZDUSSCGKSA-N 0 0 340.383 2.222 50 30 EEEARN N#Cc1ccc(OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000010387023 462818807 /nfs/dbraw/zinc/81/88/07/462818807.db2.gz CISSSUFRKIGKJF-UHFFFAOYSA-N 0 0 337.291 2.141 50 30 EEEARN CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000016461404 462979480 /nfs/dbraw/zinc/97/94/80/462979480.db2.gz RILVELYXBLMXKG-QMMMGPOBSA-N 0 0 336.808 2.337 50 30 EEEARN CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(C)c1 ZINC000017071722 462994356 /nfs/dbraw/zinc/99/43/56/462994356.db2.gz JAIGHTQIEQHNPA-UHFFFAOYSA-N 0 0 343.456 2.303 50 30 EEEARN CCCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1 ZINC000017070460 462994507 /nfs/dbraw/zinc/99/45/07/462994507.db2.gz JYVAOAOZQABLHD-BOPFTXTBSA-N 0 0 334.397 2.363 50 30 EEEARN CC1=C(C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@H](C)NC(=O)N1 ZINC000067847583 463057332 /nfs/dbraw/zinc/05/73/32/463057332.db2.gz LMICXPUNRVLVLQ-ZDUSSCGKSA-N 0 0 338.411 2.046 50 30 EEEARN N#Cc1nc(=O)n(-c2ccccc2)c(N)c1N=Cc1ccc(F)cc1 ZINC000100413511 463373853 /nfs/dbraw/zinc/37/38/53/463373853.db2.gz MEJPJOLXJYWCEV-WUUGANBKSA-N 0 0 333.326 2.406 50 30 EEEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000100421586 463373885 /nfs/dbraw/zinc/37/38/85/463373885.db2.gz JPBQVXRJKPBQTD-CYBMUJFWSA-N 0 0 344.386 2.221 50 30 EEEARN COC(=O)C(=O)C1=C(c2ccco2)NC(=S)N[C@H]1c1cccs1 ZINC000102703150 463390372 /nfs/dbraw/zinc/39/03/72/463390372.db2.gz KVOFTZOIBJSBIL-LBPRGKRZSA-N 0 0 348.405 2.013 50 30 EEEARN CCOC(=O)c1sc(NC(=O)/C=C\c2cnn(C)c2)c(C#N)c1C ZINC000033311039 463421425 /nfs/dbraw/zinc/42/14/25/463421425.db2.gz HOUVSWGUGPMDFV-WAYWQWQTSA-N 0 0 344.396 2.490 50 30 EEEARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000320412555 466609082 /nfs/dbraw/zinc/60/90/82/466609082.db2.gz FNERCJLHZQEVQE-UHFFFAOYSA-N 0 0 329.381 2.342 50 30 EEEARN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000011530873 523772252 /nfs/dbraw/zinc/77/22/52/523772252.db2.gz LOJKESZLCNLWNO-SGTLLEGYSA-N 0 0 348.399 2.304 50 30 EEEARN Cc1occc1-c1nnc(SCC(=O)NC2(C#N)CCCC2)n1C ZINC000007236696 526798083 /nfs/dbraw/zinc/79/80/83/526798083.db2.gz QSDJHGNVEJRBQO-UHFFFAOYSA-N 0 0 345.428 2.428 50 30 EEEARN Cc1noc(C)c1CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000029585912 282384303 /nfs/dbraw/zinc/38/43/03/282384303.db2.gz BRAFOHOIRLYLPR-UHFFFAOYSA-N 0 0 341.371 2.394 50 30 EEEARN CC/N=C1\S[C@@H](C(=O)NCCc2ccccc2)CC(=O)N1CC ZINC000013115818 201884697 /nfs/dbraw/zinc/88/46/97/201884697.db2.gz RKLCRMMECYBUFL-MGPWXQLLSA-N 0 0 333.457 2.075 50 30 EEEARN N#Cc1cc2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2nc1N ZINC000020387649 202040398 /nfs/dbraw/zinc/04/03/98/202040398.db2.gz FHQVKXISTUXLJJ-UHFFFAOYSA-N 0 0 339.336 2.472 50 30 EEEARN N#Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000024573808 202117414 /nfs/dbraw/zinc/11/74/14/202117414.db2.gz XPFPWCQPCADDCE-IBGZPJMESA-N 0 0 335.407 2.362 50 30 EEEARN CCCCn1nc(C(=O)OCc2cc(C#N)ccc2F)ccc1=O ZINC000029866179 202191215 /nfs/dbraw/zinc/19/12/15/202191215.db2.gz YXFAPNXRZZDOOP-UHFFFAOYSA-N 0 0 329.331 2.411 50 30 EEEARN COC(=O)CC(=O)C(N=Nc1ccc(Cl)cc1Cl)C(=O)OC ZINC000100915102 204000164 /nfs/dbraw/zinc/00/01/64/204000164.db2.gz RTFAKFVIKVEDSN-ATVHPVEESA-N 0 0 347.154 2.067 50 30 EEEARN COCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000108093366 204254191 /nfs/dbraw/zinc/25/41/91/204254191.db2.gz FXMPEKJYRJFCHK-GDBMZVCRSA-N 0 0 330.432 2.019 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000118753127 204318586 /nfs/dbraw/zinc/31/85/86/204318586.db2.gz PKWRLGKCBGGRFV-CQSZACIVSA-N 0 0 329.337 2.407 50 30 EEEARN C=CCCC(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012042505 211283321 /nfs/dbraw/zinc/28/33/21/211283321.db2.gz OJDQQXZYWJIELI-HNNXBMFYSA-N 0 0 347.463 2.154 50 30 EEEARN C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(Cl)c3C)C[C@]2(C(=O)[O-])C1 ZINC000091434219 218004936 /nfs/dbraw/zinc/00/49/36/218004936.db2.gz BTZKZUXCKNMPCS-FZKQIMNGSA-N 0 0 348.830 2.293 50 30 EEEARN CC[C@H](c1ccnn1C)n1cc(-c2cc(C#CCO)cs2)nn1 ZINC000091551840 218021062 /nfs/dbraw/zinc/02/10/62/218021062.db2.gz GYRWZIGDJWSAFP-CQSZACIVSA-N 0 0 327.413 2.083 50 30 EEEARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@]3(O)[C@@H]1CC[C@H]2C(=O)CO ZINC000257346372 258073646 /nfs/dbraw/zinc/07/36/46/258073646.db2.gz YWRPKJIIPJSLLJ-SLBIIXIFSA-N 0 0 332.440 2.421 50 30 EEEARN Cc1ccc(-n2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)c(C)c1 ZINC000006809466 292035488 /nfs/dbraw/zinc/03/54/88/292035488.db2.gz RQDRCHDJNMIHKF-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1O ZINC000012349096 295217921 /nfs/dbraw/zinc/21/79/21/295217921.db2.gz NQBFIEQNRJESQL-OAHLLOKOSA-N 0 0 341.371 2.045 50 30 EEEARN C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@H](O)CO ZINC000254738597 297943150 /nfs/dbraw/zinc/94/31/50/297943150.db2.gz DCMCEXCRUWBAFV-VIDVUAGHSA-N 0 0 348.483 2.459 50 30 EEEARN CSc1nc(N)nc(SCC(=O)NCc2ccccc2)c1C#N ZINC000003169425 462611577 /nfs/dbraw/zinc/61/15/77/462611577.db2.gz FTJQECCPGQXVBG-UHFFFAOYSA-N 0 0 345.453 2.061 50 30 EEEARN Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cn1 ZINC000003318768 462616022 /nfs/dbraw/zinc/61/60/22/462616022.db2.gz QALZMWPFIZUKTJ-UHFFFAOYSA-N 0 0 330.731 2.106 50 30 EEEARN CCCOc1ccc(C=NNc2[nH]c(=O)nnc2C)cc1OCC ZINC000004368060 462631567 /nfs/dbraw/zinc/63/15/67/462631567.db2.gz WZIONJNSCBDVFC-LICLKQGHSA-N 0 0 331.376 2.107 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1-c1cc(Cl)ccc1OC ZINC000006726702 462700466 /nfs/dbraw/zinc/70/04/66/462700466.db2.gz XUJIQFVKGIZCEI-UHFFFAOYSA-N 0 0 338.820 2.371 50 30 EEEARN CCn1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)n1 ZINC000006726735 462701053 /nfs/dbraw/zinc/70/10/53/462701053.db2.gz MDTVWOQVEFMFKJ-UHFFFAOYSA-N 0 0 331.401 2.099 50 30 EEEARN C=CCNC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000008390225 462782162 /nfs/dbraw/zinc/78/21/62/462782162.db2.gz MPUSQDZYOCXJIN-UHFFFAOYSA-N 0 0 330.215 2.166 50 30 EEEARN CCCCCCCCCn1c2c([nH]c1=S)n(C)c(=O)n(C)c2=O ZINC000008417845 462783574 /nfs/dbraw/zinc/78/35/74/462783574.db2.gz TYWQYOHXNXTWCQ-UHFFFAOYSA-N 0 0 338.477 2.473 50 30 EEEARN COc1ccccc1OCC#CCNS(=O)(=O)c1ccccc1F ZINC000090610435 462802755 /nfs/dbraw/zinc/80/27/55/462802755.db2.gz FHOYAVKUHOZWEC-UHFFFAOYSA-N 0 0 349.383 2.195 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1 ZINC000012924066 462876030 /nfs/dbraw/zinc/87/60/30/462876030.db2.gz RSFXQKSHQJWXQF-UHFFFAOYSA-N 0 0 325.347 2.446 50 30 EEEARN COC(=O)c1ccc(NN=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 ZINC000013770842 462903091 /nfs/dbraw/zinc/90/30/91/462903091.db2.gz OQLIEGPDJNBADC-VHEBQXMUSA-N 0 0 326.312 2.473 50 30 EEEARN C=CCN1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 ZINC000067284726 462988470 /nfs/dbraw/zinc/98/84/70/462988470.db2.gz AUMJXQDSRJJTLR-UHFFFAOYSA-N 0 0 346.822 2.146 50 30 EEEARN COc1ccc(Cl)cc1CN1CCN(c2cnc(C#N)cn2)CC1 ZINC000121332826 463119003 /nfs/dbraw/zinc/11/90/03/463119003.db2.gz KWXRQZHMSGDTMW-UHFFFAOYSA-N 0 0 343.818 2.332 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000029528709 463260726 /nfs/dbraw/zinc/26/07/26/463260726.db2.gz QSTBDQVAPFVQQE-UHFFFAOYSA-N 0 0 328.372 2.305 50 30 EEEARN C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)/C(C)=C/CC ZINC000101395636 463377892 /nfs/dbraw/zinc/37/78/92/463377892.db2.gz REIZJTDFMBEFIC-NKLKJHRZSA-N 0 0 347.278 2.269 50 30 EEEARN C=CCOc1ccccc1C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000071681423 463419048 /nfs/dbraw/zinc/41/90/48/463419048.db2.gz AOEUXXFZYFZUMK-UHFFFAOYSA-N 0 0 328.412 2.478 50 30 EEEARN C=CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739075 463428606 /nfs/dbraw/zinc/42/86/06/463428606.db2.gz OSCNNIAIAYIIPB-HOTGVXAUSA-N 0 0 338.473 2.376 50 30 EEEARN C=CCNS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739074 463429023 /nfs/dbraw/zinc/42/90/23/463429023.db2.gz OSCNNIAIAYIIPB-JKSUJKDBSA-N 0 0 338.473 2.376 50 30 EEEARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC000125017096 463492166 /nfs/dbraw/zinc/49/21/66/463492166.db2.gz OBJCJAVYPRCEED-HNNXBMFYSA-N 0 0 337.383 2.273 50 30 EEEARN C=CCN1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2 ZINC000057531441 463499207 /nfs/dbraw/zinc/49/92/07/463499207.db2.gz OFHPCLQDWOUHGB-ZDUSSCGKSA-N 0 0 337.301 2.342 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000584890488 468956017 /nfs/dbraw/zinc/95/60/17/468956017.db2.gz IWEQPNLZFRTWMX-ZDUSSCGKSA-N 0 0 327.384 2.145 50 30 EEEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccn(CC)n1 ZINC000101068159 518343791 /nfs/dbraw/zinc/34/37/91/518343791.db2.gz JSQBPENMSQYPRS-VLGSPTGOSA-N 0 0 328.372 2.433 50 30 EEEARN C=CC[C@H](CO)CNC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000108375333 519111481 /nfs/dbraw/zinc/11/14/81/519111481.db2.gz LVHIGFMMSHARCH-HLLBOEOZSA-N 0 0 332.444 2.132 50 30 EEEARN CCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC ZINC000001564765 520852068 /nfs/dbraw/zinc/85/20/68/520852068.db2.gz PSVWPQSBLDYCRN-SFQUDFHCSA-N 0 0 334.397 2.406 50 30 EEEARN COc1ccccc1CC(=N)NOC(=O)COc1ccccc1C ZINC000018137651 524367391 /nfs/dbraw/zinc/36/73/91/524367391.db2.gz UQEHGWMLXKZKHJ-UHFFFAOYSA-N 0 0 328.368 2.441 50 30 EEEARN Cc1ccc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000004723500 525398336 /nfs/dbraw/zinc/39/83/36/525398336.db2.gz HCRHRPISKSVIPS-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN O=C1Oc2ccccc2C(=O)C1=CN[C@H]1CCc2ccccc2NC1=O ZINC000828320608 1204932965 /nfs/dbraw/zinc/93/29/65/1204932965.db2.gz UTBVDRVTKTUMLA-UKYUDJEDSA-N 0 0 348.358 2.215 50 30 biogenic EEEARN C#CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000004536048 1350747051 /nfs/dbraw/zinc/74/70/51/1350747051.db2.gz CEVNMXBJSIBZTD-KRWDZBQOSA-N 0 0 325.339 2.343 50 30 EEEARN CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1 ZINC001772768753 1410364333 /nfs/dbraw/zinc/36/43/33/1410364333.db2.gz LGWDVWIZDPGCFG-UHFFFAOYSA-N 0 0 349.438 2.363 50 30 EEEARN C=C(C)COc1ccc(C(=O)NCCn2c(C)cc(C)nc2=O)cc1 ZINC000055100342 214273385 /nfs/dbraw/zinc/27/33/85/214273385.db2.gz VBXBIOJSXSKQFV-UHFFFAOYSA-N 0 0 341.411 2.245 50 30 EEEARN C=CCNC1=NC(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)S1 ZINC000004690232 210248856 /nfs/dbraw/zinc/24/88/56/210248856.db2.gz VKDKOENPQXUYCE-ZDUSSCGKSA-N 0 0 333.413 2.188 50 30 EEEARN N#CC1(NC(=O)CSc2nc(=O)c3ccsc3[nH]2)CCCCC1 ZINC000008456792 201749317 /nfs/dbraw/zinc/74/93/17/201749317.db2.gz UXJOFBVGGKGERK-UHFFFAOYSA-N 0 0 348.453 2.419 50 30 EEEARN N#Cc1cccc(C(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012823214 201870187 /nfs/dbraw/zinc/87/01/87/201870187.db2.gz XKKQDOGXKWMJOW-MRXNPFEDSA-N 0 0 332.425 2.130 50 30 EEEARN CC(=O)OC(C)(C)COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])C(C)=O ZINC000022064543 202078197 /nfs/dbraw/zinc/07/81/97/202078197.db2.gz FFIBYMHZCNFTRU-ZROIWOOFSA-N 0 0 349.339 2.452 50 30 in-vitro EEEARN C#CCSc1nnc(-c2cccn(Cc3ccccc3)c2=O)n1C ZINC000003063629 202138641 /nfs/dbraw/zinc/13/86/41/202138641.db2.gz MXUQYDGSRZBWRP-UHFFFAOYSA-N 0 0 336.420 2.417 50 30 EEEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+](C)Cc1ccncc1C)C2 ZINC000067677386 202222621 /nfs/dbraw/zinc/22/26/21/202222621.db2.gz UFCCIPYFTYNWMR-HNNXBMFYSA-N 0 0 340.427 2.460 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032859962 202238610 /nfs/dbraw/zinc/23/86/10/202238610.db2.gz YWRWZDLLEIFHSZ-AWEZNQCLSA-N 0 0 330.356 2.351 50 30 EEEARN N#Cc1cccc(C(=O)N2CCCN(c3nc4ncccc4o3)CC2)c1 ZINC000033027374 202246792 /nfs/dbraw/zinc/24/67/92/202246792.db2.gz CUNCCSWSLMRRAV-UHFFFAOYSA-N 0 0 347.378 2.447 50 30 EEEARN COC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=S)cc1 ZINC000000546976 201485935 /nfs/dbraw/zinc/48/59/35/201485935.db2.gz HMXKOQKJSQLUDO-VXLYETTFSA-N 0 0 343.408 2.219 50 30 EEEARN COc1ccc(-c2csc(C3=C(N)N(C4CC4)CC3=O)n2)cc1 ZINC000009576019 201494126 /nfs/dbraw/zinc/49/41/26/201494126.db2.gz HQVMNMPNQXNHBE-UHFFFAOYSA-N 0 0 327.409 2.493 50 30 EEEARN CCn1cc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cn1 ZINC000071774895 203112163 /nfs/dbraw/zinc/11/21/63/203112163.db2.gz KUMKIXDOBZQYKH-UHFFFAOYSA-N 0 0 325.401 2.433 50 30 EEEARN C=CCCC(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000015072377 211797691 /nfs/dbraw/zinc/79/76/91/211797691.db2.gz WAVZYPZOVJOOGB-INIZCTEOSA-N 0 0 344.459 2.145 50 30 EEEARN C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O ZINC000004488323 205707710 /nfs/dbraw/zinc/70/77/10/205707710.db2.gz XNWCITUFVCNKRD-CYBMUJFWSA-N 0 0 347.396 2.224 50 30 EEEARN C=CCN(C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1 ZINC000014157816 211694499 /nfs/dbraw/zinc/69/44/99/211694499.db2.gz PDLYPEHNQRJTMO-LJQANCHMSA-N 0 0 349.434 2.118 50 30 EEEARN Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC000299786107 258092932 /nfs/dbraw/zinc/09/29/32/258092932.db2.gz IUUYSDKTVUATSI-VIFPVBQESA-N 0 0 339.321 2.476 50 30 EEEARN COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C)c(C#N)c1 ZINC000299795271 258099790 /nfs/dbraw/zinc/09/97/90/258099790.db2.gz LLKRECCJOHFYRF-ZDUSSCGKSA-N 0 0 342.403 2.377 50 30 EEEARN Cc1ccc(C(N)=O)c(OCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000032789217 533643304 /nfs/dbraw/zinc/64/33/04/533643304.db2.gz CPBKWPZAQDXMTI-UHFFFAOYSA-N 0 0 337.379 2.420 50 30 EEEARN COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cccc(C#N)c2)C1=O ZINC000055360905 132194870 /nfs/dbraw/zinc/19/48/70/132194870.db2.gz HJUIJJHHRYSODK-KRWDZBQOSA-N 0 0 336.347 2.416 50 30 EEEARN CSc1nc2n(n1)[C@H](c1cnn(C)c1C)C1C(=O)CCCC1=N2 ZINC000006921765 286734802 /nfs/dbraw/zinc/73/48/02/286734802.db2.gz KSJGDKMFKNLECJ-CYBMUJFWSA-N 0 0 330.417 2.064 50 30 EEEARN Cc1ccccc1-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O ZINC000006809469 278946977 /nfs/dbraw/zinc/94/69/77/278946977.db2.gz UNYYFQXKBWMVNK-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN CCn1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)n1 ZINC000017067785 288712236 /nfs/dbraw/zinc/71/22/36/288712236.db2.gz CPRUBQSSMIBZLM-CYBMUJFWSA-N 0 0 330.417 2.238 50 30 EEEARN N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000226075433 294837121 /nfs/dbraw/zinc/83/71/21/294837121.db2.gz SJQSKMOFIMXZTC-CABCVRRESA-N 0 0 329.363 2.488 50 30 EEEARN N#CC(N=Nc1ccccc1C(F)(F)F)=C(N)N1CCOCC1 ZINC000000066827 462540844 /nfs/dbraw/zinc/54/08/44/462540844.db2.gz DBXMPGWXGUAONP-RARWTCAYSA-N 0 0 325.294 2.306 50 30 EEEARN COc1cc(/C=N/n2c(C)nnc2C)cc(Br)c1O ZINC000000231305 462549591 /nfs/dbraw/zinc/54/95/91/462549591.db2.gz KHJQRLRAJWZNEE-MKMNVTDBSA-N 0 0 325.166 2.254 50 30 EEEARN COc1ccc2[nH]c3c(ncn(/N=C/c4ccc(O)cc4)c3=O)c2c1 ZINC000000500925 462567345 /nfs/dbraw/zinc/56/73/45/462567345.db2.gz RRGSTXKILIHSBT-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000001399253 462581095 /nfs/dbraw/zinc/58/10/95/462581095.db2.gz ZUYPBZSZGYKHOD-MRXNPFEDSA-N 0 0 345.420 2.389 50 30 EEEARN COC(=O)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000001443350 462582283 /nfs/dbraw/zinc/58/22/83/462582283.db2.gz QPDBPATWMFESGD-ZDUSSCGKSA-N 0 0 343.360 2.401 50 30 EEEARN C=CCNC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000002226891 462590949 /nfs/dbraw/zinc/59/09/49/462590949.db2.gz LDQPDVRAQCEDAR-UHFFFAOYSA-N 0 0 331.372 2.379 50 30 EEEARN CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1/N=C/N(C)C ZINC000003120203 462611659 /nfs/dbraw/zinc/61/16/59/462611659.db2.gz RWXRRNNSFVBFEN-MHWRWJLKSA-N 0 0 331.332 2.179 50 30 EEEARN C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000003610232 462625349 /nfs/dbraw/zinc/62/53/49/462625349.db2.gz QXYWZPLWJIBMRS-UHFFFAOYSA-N 0 0 349.481 2.268 50 30 EEEARN O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)C31CC1 ZINC000004380563 462631670 /nfs/dbraw/zinc/63/16/70/462631670.db2.gz BAOWMYTUKUMZDC-ZVWTZBBHSA-N 0 0 337.335 2.126 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(SC)cc1 ZINC000004716221 462637012 /nfs/dbraw/zinc/63/70/12/462637012.db2.gz LGSUBDYLIKNLQR-AWEZNQCLSA-N 0 0 343.412 2.413 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000004889261 462639709 /nfs/dbraw/zinc/63/97/09/462639709.db2.gz NMKYUBDIARGHNB-JHJVBQTASA-N 0 0 340.383 2.024 50 30 EEEARN CC(=O)c1ccc(-n2c(N)c(C#N)c3c(c2=O)COC(C)(C)C3)cc1 ZINC000006662865 462695143 /nfs/dbraw/zinc/69/51/43/462695143.db2.gz FFTVXIGUQCPPMO-UHFFFAOYSA-N 0 0 337.379 2.345 50 30 EEEARN C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccccc1C#N ZINC000008010182 462763149 /nfs/dbraw/zinc/76/31/49/462763149.db2.gz LFBQQXWMXSLZIJ-ZDUSSCGKSA-N 0 0 349.346 2.379 50 30 EEEARN O=C(Cc1cccs1)NCC#CCOc1ccc2c(c1)OCO2 ZINC000090730804 462808758 /nfs/dbraw/zinc/80/87/58/462808758.db2.gz VGZZVZUAFRFLBP-UHFFFAOYSA-N 0 0 329.377 2.218 50 30 EEEARN C[C@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)cc1 ZINC000012620984 462860432 /nfs/dbraw/zinc/86/04/32/462860432.db2.gz CYDPRSZJAYAFRJ-JTQLQIEISA-N 0 0 341.758 2.412 50 30 EEEARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000015294434 462945506 /nfs/dbraw/zinc/94/55/06/462945506.db2.gz XQINLLXBSZDFCD-UHFFFAOYSA-N 0 0 340.358 2.206 50 30 EEEARN CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc(F)c1 ZINC000096388653 463237232 /nfs/dbraw/zinc/23/72/32/463237232.db2.gz GWLLKVLJXKNEMT-INIZCTEOSA-N 0 0 341.342 2.140 50 30 EEEARN CN(C)/C(=N\S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000096436837 463264536 /nfs/dbraw/zinc/26/45/36/463264536.db2.gz BMXJQZUPKZKPPK-NXVVXOECSA-N 0 0 333.369 2.292 50 30 EEEARN C=CCN1C(=O)COc2ccc(NC(=O)c3snnc3C)cc21 ZINC000032593395 463383437 /nfs/dbraw/zinc/38/34/37/463383437.db2.gz SYJFVCRRNVHSPE-UHFFFAOYSA-N 0 0 330.369 2.010 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)c1OC ZINC000103502499 463403542 /nfs/dbraw/zinc/40/35/42/463403542.db2.gz ZRKQNIWHTIGDOX-BOLDSZDNSA-N 0 0 342.395 2.438 50 30 EEEARN CCN1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000106872429 463545628 /nfs/dbraw/zinc/54/56/28/463545628.db2.gz AMTDIDQDPUHVNA-HUUCEWRRSA-N 0 0 335.448 2.135 50 30 EEEARN CC(C)(C)OC(=O)[C@H]1Cc2ccccc2CC[C@@H]1OS(C)(=O)=O ZINC000043198742 463628448 /nfs/dbraw/zinc/62/84/48/463628448.db2.gz NSBVGQKHZOQIDR-GJZGRUSLSA-N 0 0 340.441 2.478 50 30 EEEARN C=CCNC(=O)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000005507890 518906844 /nfs/dbraw/zinc/90/68/44/518906844.db2.gz VWJBYOGQNWFPEU-UHFFFAOYSA-N 0 0 338.363 2.308 50 30 EEEARN C=CCNc1nc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000003508504 518963323 /nfs/dbraw/zinc/96/33/23/518963323.db2.gz HXKCSQKCQMZFKQ-RYUDHWBXSA-N 0 0 337.445 2.402 50 30 EEEARN C[C@@](C#N)(NC(=O)COC(=O)Cc1c(F)cccc1Cl)C1CC1 ZINC000005508445 525740116 /nfs/dbraw/zinc/74/01/16/525740116.db2.gz DOAKWMSHZHQVKA-INIZCTEOSA-N 0 0 338.766 2.373 50 30 EEEARN Cc1noc(C)c1C(=O)ONC(=N)c1ccc(-c2csnn2)cc1 ZINC000004389507 526475182 /nfs/dbraw/zinc/47/51/82/526475182.db2.gz IRMLHVUEBPNCGY-UHFFFAOYSA-N 0 0 343.368 2.287 50 30 EEEARN CCOC(=O)C1=NO[C@H](COc2ccc(Cl)cc2/C=N\O)C1 ZINC000100916959 219110754 /nfs/dbraw/zinc/11/07/54/219110754.db2.gz YBEXMVBQSQLANY-FQKZPNAISA-N 0 0 326.736 2.235 50 30 EEEARN Cc1cc(C)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c1C#N ZINC000004384517 210184396 /nfs/dbraw/zinc/18/43/96/210184396.db2.gz RGLAVOWNRXFBPD-UHFFFAOYSA-N 0 0 339.439 2.422 50 30 EEEARN N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c3ccccc3c(N)nc12 ZINC000103556619 283083351 /nfs/dbraw/zinc/08/33/51/283083351.db2.gz GMDXWSAORSHNSJ-UHFFFAOYSA-N 0 0 331.291 2.363 50 30 EEEARN C=CCn1cnc2c1c(=O)n(CC)c(=O)n2-c1ccccc1Cl ZINC000037558491 213156404 /nfs/dbraw/zinc/15/64/04/213156404.db2.gz MDNLMAPSYNSXIP-UHFFFAOYSA-N 0 0 330.775 2.208 50 30 EEEARN CCOC(=O)N1CCC(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CC1 ZINC000037171449 213134388 /nfs/dbraw/zinc/13/43/88/213134388.db2.gz PLPQVEIVVWSQFC-UHFFFAOYSA-N 0 0 335.286 2.280 50 30 EEEARN Cc1cc(C(F)(F)F)nn1CC(=N)NOC(=O)c1cccs1 ZINC000036612065 213101354 /nfs/dbraw/zinc/10/13/54/213101354.db2.gz AZMYHLJFELPJRC-UHFFFAOYSA-N 0 0 332.307 2.401 50 30 EEEARN CSc1nc2n(n1)[C@@H](c1cc(C)nn1C)C1C(=O)CCCC1=N2 ZINC000020606601 212153322 /nfs/dbraw/zinc/15/33/22/212153322.db2.gz FLOXICAQMFPMFF-ZDUSSCGKSA-N 0 0 330.417 2.064 50 30 EEEARN CCN1C(C(=O)c2ccccc2)=C(NC)c2ccccc2S1(=O)=O ZINC000020029623 212095005 /nfs/dbraw/zinc/09/50/05/212095005.db2.gz GQTJKQJSSWDBDV-UHFFFAOYSA-N 0 0 342.420 2.482 50 30 EEEARN CCOC(=O)C1CCN(/C=C2\Oc3c(ccc(O)c3C)C2=O)CC1 ZINC000012442423 211383192 /nfs/dbraw/zinc/38/31/92/211383192.db2.gz ROTHPNSAWZJWFA-GDNBJRDFSA-N 0 0 331.368 2.392 50 30 EEEARN COc1ccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1O ZINC000012390757 211366366 /nfs/dbraw/zinc/36/63/66/211366366.db2.gz XELFOJPONNVDSM-CQSZACIVSA-N 0 0 328.328 2.370 50 30 EEEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000009515531 211097459 /nfs/dbraw/zinc/09/74/59/211097459.db2.gz DHNCWTGEJWXRGY-QGZVFWFLSA-N 0 0 349.456 2.139 50 30 EEEARN C=CCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000009096439 211040533 /nfs/dbraw/zinc/04/05/33/211040533.db2.gz HYQOULFNXHMHDE-UHFFFAOYSA-N 0 0 328.391 2.273 50 30 EEEARN Cc1cc(C(=O)COC(=O)COc2ccc(C#N)cc2)c(C)n1C ZINC000005990393 210572772 /nfs/dbraw/zinc/57/27/72/210572772.db2.gz JBDSUZVDLWRFAY-UHFFFAOYSA-N 0 0 326.352 2.319 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000034821 208552892 /nfs/dbraw/zinc/55/28/92/208552892.db2.gz FUVPXJLPHWGWDT-INIZCTEOSA-N 0 0 341.319 2.493 50 30 EEEARN CCCN1C(=O)N=NC1SCC(=O)N(CCC#N)Cc1ccco1 ZINC000008748378 258053751 /nfs/dbraw/zinc/05/37/51/258053751.db2.gz GPHFLFAOCNLQNJ-UHFFFAOYSA-N 0 0 349.416 2.021 50 30 EEEARN COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1C[C@@H]1CCCO1 ZINC000000381133 462557939 /nfs/dbraw/zinc/55/79/39/462557939.db2.gz BWYNYTLNIVQSCS-BLLLJJGKSA-N 0 0 331.368 2.159 50 30 EEEARN NC(=S)N/N=C/c1ccccc1OC(=O)/C=C/c1ccccc1 ZINC000001465077 462582504 /nfs/dbraw/zinc/58/25/04/462582504.db2.gz MLFVRRPSMGUBNV-OFAWCBBISA-N 0 0 325.393 2.473 50 30 EEEARN Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@H]2CS(=O)(=O)C2(C)C)cc1 ZINC000001721838 462586123 /nfs/dbraw/zinc/58/61/23/462586123.db2.gz JIOPURBIBVJCGQ-TZMCWYRMSA-N 0 0 346.470 2.160 50 30 EEEARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000002782575 462603085 /nfs/dbraw/zinc/60/30/85/462603085.db2.gz QSLKVGKXHILEKG-UHFFFAOYSA-N 0 0 331.357 2.485 50 30 EEEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000005629771 462664722 /nfs/dbraw/zinc/66/47/22/462664722.db2.gz PHQGHVRSGUBSAQ-GFCCVEGCSA-N 0 0 345.399 2.493 50 30 EEEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000006000472 462674679 /nfs/dbraw/zinc/67/46/79/462674679.db2.gz NEHXJRXFWKPPNL-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000006370853 462684286 /nfs/dbraw/zinc/68/42/86/462684286.db2.gz JSFVVHGNCXMDJH-GFCCVEGCSA-N 0 0 340.383 2.451 50 30 EEEARN CCCn1c(C)cc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1C ZINC000007442313 462736615 /nfs/dbraw/zinc/73/66/15/462736615.db2.gz FTEKFALDPFBROJ-UHFFFAOYSA-N 0 0 326.400 2.443 50 30 EEEARN C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000008059708 462764987 /nfs/dbraw/zinc/76/49/87/462764987.db2.gz ACICRKOLNTYEII-LSDHHAIUSA-N 0 0 336.482 2.062 50 30 EEEARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O ZINC000008325728 462779279 /nfs/dbraw/zinc/77/92/79/462779279.db2.gz ZOGVXABLWLHUGF-QLJPJBMISA-N 0 0 346.412 2.059 50 30 EEEARN C=CCn1nnc(NC(=O)COc2c(C)cc(Cl)cc2Cl)n1 ZINC000010149036 462813132 /nfs/dbraw/zinc/81/31/32/462813132.db2.gz DFMSOMJWXRKQOV-UHFFFAOYSA-N 0 0 342.186 2.492 50 30 EEEARN N#CC1(NC(=O)CN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000012537791 462855747 /nfs/dbraw/zinc/85/57/47/462855747.db2.gz IGIUCIYMRFHXBG-UHFFFAOYSA-N 0 0 326.444 2.151 50 30 EEEARN C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 ZINC000012648087 462862486 /nfs/dbraw/zinc/86/24/86/462862486.db2.gz HCYHCCQXTCTYCU-UHFFFAOYSA-N 0 0 342.424 2.058 50 30 EEEARN C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000012981381 462879958 /nfs/dbraw/zinc/87/99/58/462879958.db2.gz CULHDLKHHUHKLK-LLVKDONJSA-N 0 0 337.217 2.413 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(S(=O)(=O)[C@H](C)CC)CC2 ZINC000091663165 462896793 /nfs/dbraw/zinc/89/67/93/462896793.db2.gz UCJXGSOPKQOONU-CQSZACIVSA-N 0 0 328.478 2.005 50 30 EEEARN C=CCNC(=S)NCCCn1nc(C)c(Br)c1C ZINC000013769765 462903684 /nfs/dbraw/zinc/90/36/84/462903684.db2.gz ITMIMGLDARSWKV-UHFFFAOYSA-N 0 0 331.283 2.303 50 30 EEEARN COCc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000014186242 462916882 /nfs/dbraw/zinc/91/68/82/462916882.db2.gz PEUBAUDNYVVBHW-UGSOOPFHSA-N 0 0 332.400 2.433 50 30 EEEARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C#N)cc1 ZINC000015402104 462951418 /nfs/dbraw/zinc/95/14/18/462951418.db2.gz ARFXSVRLEFKFNU-UHFFFAOYSA-N 0 0 341.436 2.371 50 30 EEEARN C=CCc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000015659184 462958969 /nfs/dbraw/zinc/95/89/69/462958969.db2.gz KDUGLTZTMQVDGV-YQQAZPJKSA-N 0 0 335.444 2.273 50 30 EEEARN Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077506071 462996646 /nfs/dbraw/zinc/99/66/46/462996646.db2.gz HOUFAGZYGHVAPO-OAHLLOKOSA-N 0 0 342.443 2.305 50 30 EEEARN C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2-n2cccn2)c1 ZINC000120483425 463003283 /nfs/dbraw/zinc/00/32/83/463003283.db2.gz WZVYAYKAHOPGBF-UHFFFAOYSA-N 0 0 330.347 2.431 50 30 EEEARN C=C(C)Cn1cnc2c1c(=O)[nH]c(Nc1ccc(Cl)cc1)nc2=O ZINC000019111859 463014966 /nfs/dbraw/zinc/01/49/66/463014966.db2.gz WCXZGMVLQPYGRW-UHFFFAOYSA-N 0 0 343.774 2.453 50 30 EEEARN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000025120378 463110971 /nfs/dbraw/zinc/11/09/71/463110971.db2.gz OSRKTCPECLRBQK-INIZCTEOSA-N 0 0 337.379 2.158 50 30 EEEARN Cc1ccc2ncc(C(=O)OCc3cc(C#N)ccc3F)c(=O)n2c1 ZINC000027714434 463201399 /nfs/dbraw/zinc/20/13/99/463201399.db2.gz SKJXVKFOKFTMRK-UHFFFAOYSA-N 0 0 337.310 2.371 50 30 EEEARN N#Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)c1 ZINC000028040968 463215447 /nfs/dbraw/zinc/21/54/47/463215447.db2.gz NTCCZKDWTZCCBR-UHFFFAOYSA-N 0 0 342.424 2.032 50 30 EEEARN N#CCCN(CCC#N)Cn1c(=O)oc2cc(Br)ccc21 ZINC000029503701 463259831 /nfs/dbraw/zinc/25/98/31/463259831.db2.gz VMIJTBHZQSQTKG-UHFFFAOYSA-N 0 0 349.188 2.444 50 30 EEEARN C[C@H](C1N=NC(=O)N1)n1ccnc1-c1ccc(C#CC(C)(C)O)s1 ZINC000071404090 463415008 /nfs/dbraw/zinc/41/50/08/463415008.db2.gz AUOYCUZOBQYMKO-SNVBAGLBSA-N 0 0 343.412 2.167 50 30 EEEARN Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)C1C(=O)CCCC1=N2 ZINC000072471334 463510849 /nfs/dbraw/zinc/51/08/49/463510849.db2.gz ZXBUCJBUMKMSOY-KRWDZBQOSA-N 0 0 338.367 2.380 50 30 EEEARN N#Cc1cccc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000107362718 463568024 /nfs/dbraw/zinc/56/80/24/463568024.db2.gz DNJPJFPTOWEYCP-WOJBJXKFSA-N 0 0 347.418 2.284 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCCCn2cc(Cl)cn2)o1 ZINC000223008702 519330391 /nfs/dbraw/zinc/33/03/91/519330391.db2.gz WZOLTYMKDFSFDE-UHFFFAOYSA-N 0 0 335.791 2.072 50 30 EEEARN Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cnc([N+](=O)[O-])c2)c1 ZINC000031804572 524409933 /nfs/dbraw/zinc/40/99/33/524409933.db2.gz NQZHCCPZKVLHIZ-UHFFFAOYSA-N 0 0 327.344 2.355 50 30 EEEARN N#C[C@H](C(=O)CCc1ccc2c(c1)OCO2)C(=O)Nc1ccccn1 ZINC000104055741 526503989 /nfs/dbraw/zinc/50/39/89/526503989.db2.gz YTDZLQHSQOHDJE-CYBMUJFWSA-N 0 0 337.335 2.090 50 30 EEEARN N#Cc1cccc(N2CCCN(C(=O)CCc3cccnc3)CC2)n1 ZINC001772819127 1410372078 /nfs/dbraw/zinc/37/20/78/1410372078.db2.gz FLMSIKXYEBZGPD-UHFFFAOYSA-N 0 0 335.411 2.020 50 30 EEEARN C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@H]3[C@H]1O)C2(C)C ZINC000822218743 787092693 /nfs/dbraw/zinc/09/26/93/787092693.db2.gz SDBITTRHSROXCY-NOGJIQAUSA-N 0 0 334.456 2.233 50 30 EEEARN CC(C)(O)C#Cc1cccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000828172155 800620116 /nfs/dbraw/zinc/62/01/16/800620116.db2.gz BBNDNKFSLIVIPC-UHFFFAOYSA-N 0 0 349.390 2.321 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)cc1 ZINC000055088372 214271448 /nfs/dbraw/zinc/27/14/48/214271448.db2.gz NLJOTGITSMNHJE-UHFFFAOYSA-N 0 0 335.407 2.009 50 30 EEEARN CC(C)=NN(CCc1ccccn1)C1=NS(=O)(=O)c2ccccc21 ZINC000059446064 214620334 /nfs/dbraw/zinc/62/03/34/214620334.db2.gz YOGHNSDHEMIIIT-UHFFFAOYSA-N 0 0 342.424 2.471 50 30 EEEARN Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1[N+](=O)[O-] ZINC000002779305 282256291 /nfs/dbraw/zinc/25/62/91/282256291.db2.gz BXUCVHFANKGZAO-UHFFFAOYSA-N 0 0 331.357 2.311 50 30 EEEARN C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003610297 210065892 /nfs/dbraw/zinc/06/58/92/210065892.db2.gz QYXLKWGVCXPLMP-VIFPVBQESA-N 0 0 349.481 2.346 50 30 EEEARN CC(=O)Oc1ccccc1C(=O)OCC(=O)Nc1ccccc1C#N ZINC000002731658 209897567 /nfs/dbraw/zinc/89/75/67/209897567.db2.gz WYYSTEGOOMFMEF-UHFFFAOYSA-N 0 0 338.319 2.279 50 30 EEEARN Cc1nc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c(Cl)cc1C#N ZINC000685940467 539989710 /nfs/dbraw/zinc/98/97/10/539989710.db2.gz BFWWYDALYWIIQC-ZKYQVNSYSA-N 0 0 346.822 2.010 50 30 EEEARN CNC(=O)N(O)[C@@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C ZINC000000060622 283342459 /nfs/dbraw/zinc/34/24/59/283342459.db2.gz LLUWLPIEHXDRJH-DUJAKZANSA-N 0 0 328.419 2.083 50 30 EEEARN Cc1nn2c(nc(C)cc2N2CCN(c3ncccc3C#N)CC2)c1C ZINC000072427387 216216985 /nfs/dbraw/zinc/21/69/85/216216985.db2.gz JLNMLTSSDAXGJP-UHFFFAOYSA-N 0 0 347.426 2.248 50 30 EEEARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc[nH]n1)c1ccco1 ZINC000023142542 212354972 /nfs/dbraw/zinc/35/49/72/212354972.db2.gz FAHZVESDVCGCEP-GFCCVEGCSA-N 0 0 325.328 2.027 50 30 EEEARN C=CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1 ZINC000021706072 212241367 /nfs/dbraw/zinc/24/13/67/212241367.db2.gz ZVOHPWIXDGXQTB-OAHLLOKOSA-N 0 0 343.427 2.190 50 30 EEEARN CN(C)c1ccnc(SCC(=O)NCc2ccccc2)c1C#N ZINC000020028430 212094968 /nfs/dbraw/zinc/09/49/68/212094968.db2.gz GXOFCFGTXXZMFS-UHFFFAOYSA-N 0 0 326.425 2.428 50 30 EEEARN CCc1c(C#N)c(N)nc(S[C@@H](C(N)=O)c2ccccc2)c1C#N ZINC000019867703 212077268 /nfs/dbraw/zinc/07/72/68/212077268.db2.gz FGQIKVMUUPNDOL-CQSZACIVSA-N 0 0 337.408 2.288 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)c1cc2ccccc2o1 ZINC000085558820 217677839 /nfs/dbraw/zinc/67/78/39/217677839.db2.gz NPGPRUZRDHVURI-UHFFFAOYSA-N 0 0 348.358 2.344 50 30 EEEARN N#Cc1ccccc1N1CCN(CC[C@H](O)c2ccccc2)CC1=O ZINC000092019912 218103830 /nfs/dbraw/zinc/10/38/30/218103830.db2.gz TXLYCIUITHNFEJ-IBGZPJMESA-N 0 0 335.407 2.331 50 30 EEEARN COc1ccc(/C=N/CCCNS(=O)(=O)c2ccccc2)cc1 ZINC000009226772 211054262 /nfs/dbraw/zinc/05/42/62/211054262.db2.gz SGFAUZOMVJLBJF-NBVRZTHBSA-N 0 0 332.425 2.483 50 30 EEEARN C=CCNc1nnc(SCc2cc(=O)n3ccsc3n2)s1 ZINC000005783161 210534939 /nfs/dbraw/zinc/53/49/39/210534939.db2.gz PPOPFRSKFBMTLJ-UHFFFAOYSA-N 0 0 337.455 2.498 50 30 EEEARN O=C1c2ccccc2C2=C1[C@@H](c1ccsc1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000018201178 296440214 /nfs/dbraw/zinc/44/02/14/296440214.db2.gz DDYLNPMYXUJLLG-LLVKDONJSA-N 0 0 349.371 2.290 50 30 EEEARN CN(/N=C/c1cccc([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21 ZINC000000088932 462542002 /nfs/dbraw/zinc/54/20/02/462542002.db2.gz XLMUENQCGZWMCX-MHWRWJLKSA-N 0 0 344.352 2.010 50 30 EEEARN CN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(C)(=O)=O ZINC000002843745 462605576 /nfs/dbraw/zinc/60/55/76/462605576.db2.gz XJWOGSFLVCAPFK-UHFFFAOYSA-N 0 0 343.408 2.401 50 30 EEEARN Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC#N)n1 ZINC000005573455 462662773 /nfs/dbraw/zinc/66/27/73/462662773.db2.gz YEEXJAPSGWUKCL-UHFFFAOYSA-N 0 0 337.383 2.041 50 30 EEEARN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000006268010 462681037 /nfs/dbraw/zinc/68/10/37/462681037.db2.gz AYWSWKRHAVPGEP-UHFFFAOYSA-N 0 0 329.381 2.376 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000012349087 462851029 /nfs/dbraw/zinc/85/10/29/462851029.db2.gz MIECPVAJXRZYAC-AWEZNQCLSA-N 0 0 340.343 2.239 50 30 EEEARN COc1ccc(C=NNC(N)=S)cc1OC(=O)c1ccccc1 ZINC000013110547 462884392 /nfs/dbraw/zinc/88/43/92/462884392.db2.gz AMJALWSLNUODKC-UHFFFAOYSA-N 0 0 329.381 2.082 50 30 aggregator EEEARN CON=CNC(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 ZINC000013136026 462885537 /nfs/dbraw/zinc/88/55/37/462885537.db2.gz HRSXQTXRAIIRSK-UHFFFAOYSA-N 0 0 339.326 2.449 50 30 EEEARN Cc1nn(Cc2cc(Cl)c3c(c2)OCCO3)c(=O)c(C#N)c1C ZINC000014234215 462920228 /nfs/dbraw/zinc/92/02/28/462920228.db2.gz GPEDTCOQHDRUHK-UHFFFAOYSA-N 0 0 331.759 2.205 50 30 EEEARN C=CCN1C(C(C)=O)=C(OC(=O)C(C)C)c2ccccc2S1(=O)=O ZINC000015669426 462958623 /nfs/dbraw/zinc/95/86/23/462958623.db2.gz YBDLQFPLXUYJKA-UHFFFAOYSA-N 0 0 349.408 2.334 50 30 EEEARN Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000015934345 462966911 /nfs/dbraw/zinc/96/69/11/462966911.db2.gz HUGZUMXHLNSBLI-OVCLIPMQSA-N 0 0 337.357 2.425 50 30 EEEARN N#Cc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000022748900 463054801 /nfs/dbraw/zinc/05/48/01/463054801.db2.gz RUSQTJIMFLVQLK-LJQANCHMSA-N 0 0 335.407 2.362 50 30 EEEARN Cc1ccc(S(=O)(=O)OCCOCCC(=O)OC(C)(C)C)cc1 ZINC000079016713 463179242 /nfs/dbraw/zinc/17/92/42/463179242.db2.gz OVLSSENVXOKYAD-UHFFFAOYSA-N 0 0 344.429 2.449 50 30 EEEARN N#Cc1cccnc1N1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000055740049 463345647 /nfs/dbraw/zinc/34/56/47/463345647.db2.gz OKPNJDUHMSFZIC-UHFFFAOYSA-N 0 0 326.425 2.296 50 30 EEEARN Cc1cc(C)n2nc(CC(=O)Nc3ccc(C#N)c(Cl)c3)nc2n1 ZINC000032915772 463402363 /nfs/dbraw/zinc/40/23/63/463402363.db2.gz FLFHSGYTTWHAJE-UHFFFAOYSA-N 0 0 340.774 2.447 50 30 EEEARN NC(=S)C(=NNc1ccccc1C(F)(F)F)C(=O)N1CCCC1 ZINC000263631977 464135528 /nfs/dbraw/zinc/13/55/28/464135528.db2.gz FLSAKLFZNFENHT-UHFFFAOYSA-N 0 0 344.362 2.382 50 30 EEEARN COc1cncc(O[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000225498422 464167103 /nfs/dbraw/zinc/16/71/03/464167103.db2.gz LLILZEVOSXALOF-OAHLLOKOSA-N 0 0 338.367 2.040 50 30 EEEARN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Br ZINC000281635539 464529545 /nfs/dbraw/zinc/52/95/45/464529545.db2.gz XVHUACIYWNPUSU-ZANVPECISA-N 0 0 342.237 2.446 50 30 EEEARN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)n[nH]c1=S ZINC000005484698 519182302 /nfs/dbraw/zinc/18/23/02/519182302.db2.gz OQJRTDYYBWBAQL-UHFFFAOYSA-N 0 0 334.401 2.074 50 30 EEEARN COc1cc(C(=O)O/N=C2\C=CC(=O)C=C2C)cc(OC)c1OC ZINC000004837616 522169268 /nfs/dbraw/zinc/16/92/68/522169268.db2.gz SCOWMESNGFMXFR-QGOAFFKASA-N 0 0 331.324 2.310 50 30 EEEARN Cc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)n1-c1ccccc1 ZINC000003386112 526379569 /nfs/dbraw/zinc/37/95/69/526379569.db2.gz SBIGZBPJTJQACE-QGZVFWFLSA-N 0 0 341.440 2.476 50 30 EEEARN COc1ccc(F)cc1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445892 1367643700 /nfs/dbraw/zinc/64/37/00/1367643700.db2.gz URTZQESGFSYQGP-UHFFFAOYSA-N 0 0 326.375 2.423 50 30 EEEARN CC[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccnn1C ZINC000952986368 796152331 /nfs/dbraw/zinc/15/23/31/796152331.db2.gz LSVKXTYCFPHMQX-INIZCTEOSA-N 0 0 325.412 2.424 50 30 EEEARN C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000051316044 214087821 /nfs/dbraw/zinc/08/78/21/214087821.db2.gz QRFUJBSKCJLVQR-UHFFFAOYSA-N 0 0 349.390 2.296 50 30 EEEARN COc1cc(/C=N\n2c(C)nnc2C)cc(Br)c1O ZINC000055390897 214316348 /nfs/dbraw/zinc/31/63/48/214316348.db2.gz KHJQRLRAJWZNEE-NSIKDUERSA-N 0 0 325.166 2.254 50 30 EEEARN C=CCOc1ccc(C(=O)N2CCC(=O)NC[C@@H]2C)cc1OCC ZINC000055402646 214320632 /nfs/dbraw/zinc/32/06/32/214320632.db2.gz OHXBHTROFYUPCD-ZDUSSCGKSA-N 0 0 332.400 2.001 50 30 EEEARN N#Cc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000004583655 210226001 /nfs/dbraw/zinc/22/60/01/210226001.db2.gz BRNCZYPBTFWKEP-UHFFFAOYSA-N 0 0 332.363 2.337 50 30 EEEARN N/N=C1\c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000100429752 219099258 /nfs/dbraw/zinc/09/92/58/219099258.db2.gz QOSUSOXKSIHHMF-FYWRMAATSA-N 0 0 329.228 2.103 50 30 EEEARN N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCSCC3)c2c1 ZINC000040268208 213286865 /nfs/dbraw/zinc/28/68/65/213286865.db2.gz YWYUPWTXPZXZPF-HNNXBMFYSA-N 0 0 331.397 2.245 50 30 EEEARN COc1ccc(NC(=O)NCCCCCc2[nH]nc(N)c2C#N)cc1 ZINC000032824194 212851591 /nfs/dbraw/zinc/85/15/91/212851591.db2.gz PXXJKPBYSOLGTI-UHFFFAOYSA-N 0 0 342.403 2.407 50 30 EEEARN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000000312526 209530080 /nfs/dbraw/zinc/53/00/80/209530080.db2.gz UNKOTZOUHPKOGA-CXUHLZMHSA-N 0 0 325.332 2.179 50 30 EEEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N\n2cnnc2)cc1 ZINC000000052152 209391878 /nfs/dbraw/zinc/39/18/78/209391878.db2.gz SPZUWGYEIPHBHM-GRSHGNNSSA-N 0 0 341.396 2.270 50 30 EEEARN CCc1cc(C(=O)OCC(=O)N(CCC#N)CCC#N)sc1C ZINC000023890755 212398992 /nfs/dbraw/zinc/39/89/92/212398992.db2.gz YPBXJMCLMQFCFS-UHFFFAOYSA-N 0 0 333.413 2.432 50 30 EEEARN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccco2)CC1 ZINC000022817140 212326409 /nfs/dbraw/zinc/32/64/09/212326409.db2.gz LIAHXWUTKQVOCP-HNNXBMFYSA-N 0 0 338.411 2.296 50 30 EEEARN Cc1nc(SCC(=O)NC(=O)c2cccn2C)c(C#N)c(C)c1C ZINC000022466000 212299664 /nfs/dbraw/zinc/29/96/64/212299664.db2.gz LWBADNSHTVGRLX-UHFFFAOYSA-N 0 0 342.424 2.266 50 30 EEEARN Cc1csc(CCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1 ZINC000218462680 241325168 /nfs/dbraw/zinc/32/51/68/241325168.db2.gz NRRSCGXVVPUIRM-UHFFFAOYSA-N 0 0 339.424 2.083 50 30 EEEARN Cc1c(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)cnn1C ZINC000426478649 241293683 /nfs/dbraw/zinc/29/36/83/241293683.db2.gz CHFKDWUHPHEXNO-UHFFFAOYSA-N 0 0 337.427 2.496 50 30 EEEARN N#Cc1ccc(N2CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)cc1 ZINC000426726904 241330066 /nfs/dbraw/zinc/33/00/66/241330066.db2.gz PEIHMJYPOWPKOX-MRXNPFEDSA-N 0 0 335.411 2.179 50 30 EEEARN N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccccc1Cl ZINC000020135565 212104911 /nfs/dbraw/zinc/10/49/11/212104911.db2.gz ZZPLLSTZASXRJO-UHFFFAOYSA-N 0 0 343.799 2.305 50 30 EEEARN Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1 ZINC000019323485 212015487 /nfs/dbraw/zinc/01/54/87/212015487.db2.gz LJUVVMADWOWOII-UHFFFAOYSA-N 0 0 347.426 2.239 50 30 EEEARN C[C@H]1C(=O)N(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000014160072 211696719 /nfs/dbraw/zinc/69/67/19/211696719.db2.gz CHYJPXTYHOLWMP-ZDUSSCGKSA-N 0 0 348.362 2.354 50 30 EEEARN CCN(CC(=O)NC(C)C)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000009153931 211044122 /nfs/dbraw/zinc/04/41/22/211044122.db2.gz NIRURDBHDPZSBC-UHFFFAOYSA-N 0 0 342.399 2.237 50 30 EEEARN C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000006156806 210596281 /nfs/dbraw/zinc/59/62/81/210596281.db2.gz ODYSOIBJTDPGMU-JTQLQIEISA-N 0 0 342.804 2.193 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(O)cc1 ZINC000004312020 258003042 /nfs/dbraw/zinc/00/30/42/258003042.db2.gz KRLLOCBYYQXZLU-HNNXBMFYSA-N 0 0 343.335 2.210 50 30 biogenic EEEARN C=CCNC(=O)NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000003516229 258047054 /nfs/dbraw/zinc/04/70/54/258047054.db2.gz GQUKBSQVMJVVQE-UHFFFAOYSA-N 0 0 336.442 2.412 50 30 EEEARN N#Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000012874796 258055668 /nfs/dbraw/zinc/05/56/68/258055668.db2.gz NHDOYMCGFRAGHI-UHFFFAOYSA-N 0 0 335.363 2.283 50 30 EEEARN CCCCN1C(C(C)=O)=C(OC(C)=O)c2ccccc2S1(=O)=O ZINC000009250808 278695269 /nfs/dbraw/zinc/69/52/69/278695269.db2.gz WXFFLAQGQIUJGG-UHFFFAOYSA-N 0 0 337.397 2.312 50 30 EEEARN Cc1cc(N2CCC(C(N)=O)CC2)n2c3ccccc3nc2c1C#N ZINC000005570692 280543495 /nfs/dbraw/zinc/54/34/95/280543495.db2.gz PRCIBVKBQRRTQW-UHFFFAOYSA-N 0 0 333.395 2.369 50 30 EEEARN COc1cccc(-n2cc(CN(C)C(=O)c3cc(C#N)c[nH]3)cn2)c1 ZINC000426589980 295281015 /nfs/dbraw/zinc/28/10/15/295281015.db2.gz MZOKJPOLRLWEFC-UHFFFAOYSA-N 0 0 335.367 2.353 50 30 EEEARN N#Cc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000000113871 462542819 /nfs/dbraw/zinc/54/28/19/462542819.db2.gz MOYZXGVVWUKFPQ-UHFFFAOYSA-N 0 0 336.105 2.204 50 30 EEEARN N=C(NOC(=O)COc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000004551660 462633824 /nfs/dbraw/zinc/63/38/24/462633824.db2.gz RBAZIMXNXLZTJH-UHFFFAOYSA-N 0 0 349.730 2.491 50 30 EEEARN C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1N ZINC000004536749 462634125 /nfs/dbraw/zinc/63/41/25/462634125.db2.gz BBNSYBXJOWVPCY-UHFFFAOYSA-N 0 0 337.474 2.237 50 30 EEEARN CN1C(=O)/C(=C\c2nc(C#N)c(N3CCCCC3)o2)SC1=S ZINC000005180510 462647128 /nfs/dbraw/zinc/64/71/28/462647128.db2.gz AWYHUTUCGCGQRR-JXMROGBWSA-N 0 0 334.426 2.368 50 30 EEEARN COc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000006831391 462707988 /nfs/dbraw/zinc/70/79/88/462707988.db2.gz SWUUNSYTXIREKH-UHFFFAOYSA-N 0 0 331.397 2.195 50 30 EEEARN CC(=O)Nc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 ZINC000065374554 462760300 /nfs/dbraw/zinc/76/03/00/462760300.db2.gz OEXPKPXMVDEKAC-UHFFFAOYSA-N 0 0 335.411 2.234 50 30 EEEARN N#Cc1cnc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1N ZINC000065384767 462760656 /nfs/dbraw/zinc/76/06/56/462760656.db2.gz RPMHTGKLJNVPSF-ZWKOTPCHSA-N 0 0 345.406 2.438 50 30 EEEARN CC(C)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 ZINC000014198433 462918473 /nfs/dbraw/zinc/91/84/73/462918473.db2.gz AVJBKAWHYISUKQ-CQSZACIVSA-N 0 0 346.818 2.418 50 30 EEEARN C=CCN1C(=O)S/C(=C\c2ccc(OCC(=O)OC)cc2)C1=O ZINC000015010918 462938360 /nfs/dbraw/zinc/93/83/60/462938360.db2.gz IBSVRURBZIVWRA-LCYFTJDESA-N 0 0 333.365 2.461 50 30 EEEARN C=CCNC(=O)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623782 462984606 /nfs/dbraw/zinc/98/46/06/462984606.db2.gz HIQOLHALCOMNNF-UHFFFAOYSA-N 0 0 329.322 2.149 50 30 EEEARN CCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000095902487 463108821 /nfs/dbraw/zinc/10/88/21/463108821.db2.gz QMVLBPYFOBUSDI-UHFFFAOYSA-N 0 0 335.452 2.240 50 30 EEEARN Cc1nc(NC(=O)c2ccc(C(N)=O)cc2)sc1SCC#N ZINC000069740873 463316007 /nfs/dbraw/zinc/31/60/07/463316007.db2.gz OPXREFLJQKRDMR-UHFFFAOYSA-N 0 0 332.410 2.418 50 30 EEEARN Cc1noc(C)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000031403851 463339056 /nfs/dbraw/zinc/33/90/56/463339056.db2.gz MOYFPVRQQVRWQK-UHFFFAOYSA-N 0 0 328.347 2.265 50 30 EEEARN O=S(=O)(N/N=C\c1ccco1)c1ccc(Br)cc1 ZINC000032578352 463381925 /nfs/dbraw/zinc/38/19/25/463381925.db2.gz LRPFPVCSKOLMFB-JYRVWZFOSA-N 0 0 329.175 2.355 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2ccc(OC)cc2)C(=O)CC1(C)C ZINC000103694447 463406427 /nfs/dbraw/zinc/40/64/27/463406427.db2.gz VBTRBPYMJUEVAN-WVUXNXBLSA-N 0 0 331.368 2.348 50 30 EEEARN C=C(C)CN1CCN(C(=O)NCc2nc3c(cccc3C)[nH]2)CC1 ZINC000584895555 468957795 /nfs/dbraw/zinc/95/77/95/468957795.db2.gz SGCBGYFAHMXOPM-UHFFFAOYSA-N 0 0 327.432 2.275 50 30 EEEARN C=CCc1ccccc1OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O ZINC000024094696 519144388 /nfs/dbraw/zinc/14/43/88/519144388.db2.gz CQWODEDJCXJHGM-HNNXBMFYSA-N 0 0 344.411 2.019 50 30 EEEARN C=CCc1ccccc1OC[C@@H](O)CN1C(=O)CC2(CCCC2)C1=O ZINC000024101874 519144648 /nfs/dbraw/zinc/14/46/48/519144648.db2.gz GFEQCZUGHFQTBV-INIZCTEOSA-N 0 0 343.423 2.474 50 30 EEEARN COc1cc(C(=O)ON=C2C=CC(=NO)C=C2)cc(OC)c1OC ZINC000005910462 522172893 /nfs/dbraw/zinc/17/28/93/522172893.db2.gz VEFBJSXKHKQUJL-UHFFFAOYSA-N 0 0 332.312 2.181 50 30 EEEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCO)[C@H]1c1cccc(F)c1 ZINC000006446215 526267978 /nfs/dbraw/zinc/26/79/78/526267978.db2.gz UINQEVMAAHSJDJ-INIZCTEOSA-N 0 0 341.338 2.396 50 30 EEEARN N#CCOc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1 ZINC000005274785 526473322 /nfs/dbraw/zinc/47/33/22/526473322.db2.gz PIRMTDWYODATLG-UHFFFAOYSA-N 0 0 347.378 2.159 50 30 EEEARN CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)c1csc(N)n1 ZINC000022204380 676137881 /nfs/dbraw/zinc/13/78/81/676137881.db2.gz JTMUNRRLQAWNLH-CPNJWEJPSA-N 0 0 332.385 2.307 50 30 EEEARN Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)n1 ZINC000952977267 796122511 /nfs/dbraw/zinc/12/25/11/796122511.db2.gz BNKVLZJVSIQTAG-AWEZNQCLSA-N 0 0 343.383 2.461 50 30 EEEARN C=CCC(=O)N1CCC[C@@H](CNC(=O)COc2ccccc2OC)C1 ZINC000012023345 799590583 /nfs/dbraw/zinc/59/05/83/799590583.db2.gz SSNZZJUFXQXHON-HNNXBMFYSA-N 0 0 346.427 2.005 50 30 EEEARN NC(=C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nonc1N ZINC000100706670 219105018 /nfs/dbraw/zinc/10/50/18/219105018.db2.gz ARHVLCFNJDSMNR-UHFFFAOYSA-N 0 0 334.335 2.087 50 30 EEEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CCN(C)C2 ZINC000003902128 210088874 /nfs/dbraw/zinc/08/88/74/210088874.db2.gz QMVFARCDJOPVJH-UHFFFAOYSA-N 0 0 339.486 2.385 50 30 EEEARN COC(=O)c1cc(NC(=O)N2CCC(C#N)CC2)cc(C(=O)OC)c1 ZINC000067012508 215103985 /nfs/dbraw/zinc/10/39/85/215103985.db2.gz WCJXKSZZGMLLIZ-UHFFFAOYSA-N 0 0 345.355 2.027 50 30 EEEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 ZINC000102883515 219237474 /nfs/dbraw/zinc/23/74/74/219237474.db2.gz AGZUQZWMDCHGJD-GROYHEBESA-N 0 0 337.375 2.409 50 30 EEEARN COc1ccc(Cc2ncc3c(n2)CN(C(=O)C2(C#N)CC2)C3)cc1 ZINC000067655092 215175957 /nfs/dbraw/zinc/17/59/57/215175957.db2.gz OFPAUEDSAIXLHP-UHFFFAOYSA-N 0 0 334.379 2.222 50 30 EEEARN CCCn1c2nc(C(C)C)nc(S[C@H](C)C#N)c2c(=O)n(C)c1=O ZINC000036810967 213119845 /nfs/dbraw/zinc/11/98/45/213119845.db2.gz AHZSUMBTYLCGNM-SNVBAGLBSA-N 0 0 347.444 2.028 50 30 EEEARN Cc1cc(C)cc(CN2CCN(Cc3cc(C#N)n(C)c3)CC2=O)c1 ZINC000072140539 216026954 /nfs/dbraw/zinc/02/69/54/216026954.db2.gz HHZVUGPEJBNEFE-UHFFFAOYSA-N 0 0 336.439 2.358 50 30 EEEARN C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C ZINC000000120693 209434167 /nfs/dbraw/zinc/43/41/67/209434167.db2.gz QICQYDHYBAJOBF-JYRVWZFOSA-N 0 0 327.336 2.274 50 30 EEEARN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccco2)CC1 ZINC000022817146 212326818 /nfs/dbraw/zinc/32/68/18/212326818.db2.gz LIAHXWUTKQVOCP-OAHLLOKOSA-N 0 0 338.411 2.296 50 30 EEEARN Cc1cc(C)c(C#N)c(N2CCC[C@H](c3ccn(CCO)n3)C2)n1 ZINC000426739011 241334237 /nfs/dbraw/zinc/33/42/37/241334237.db2.gz HAAOPYHPHUVIBM-HNNXBMFYSA-N 0 0 325.416 2.143 50 30 EEEARN N#Cc1nc(-c2ccccc2F)oc1NCCCN1CCOCC1 ZINC000020150158 212106235 /nfs/dbraw/zinc/10/62/35/212106235.db2.gz AWMLYEKVUQVTLQ-UHFFFAOYSA-N 0 0 330.363 2.487 50 30 EEEARN Cc1c(O)cccc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 ZINC000077378122 216887713 /nfs/dbraw/zinc/88/77/13/216887713.db2.gz OLTOSJPFKSAIEF-UHFFFAOYSA-N 0 0 335.363 2.061 50 30 EEEARN C=CCNC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012432337 211380090 /nfs/dbraw/zinc/38/00/90/211380090.db2.gz FAZSARZLSFRGMZ-MRXNPFEDSA-N 0 0 339.399 2.171 50 30 EEEARN C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000012421456 211374807 /nfs/dbraw/zinc/37/48/07/211374807.db2.gz KJIFNSITQOVFSQ-APWZRJJASA-N 0 0 334.435 2.127 50 30 EEEARN CC(C)[C@H](Sc1ncc(C#N)c(N)n1)C(=O)NCc1ccccc1 ZINC000009221201 211054572 /nfs/dbraw/zinc/05/45/72/211054572.db2.gz VUGSRQQSPQERLU-AWEZNQCLSA-N 0 0 341.440 2.364 50 30 EEEARN N#Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3cccs3)n2)c1=O ZINC000008983312 211025219 /nfs/dbraw/zinc/02/52/19/211025219.db2.gz HHABNSHIDBVBIU-UHFFFAOYSA-N 0 0 328.309 2.393 50 30 EEEARN C=CCNC(=O)Cn1nc(-c2cccs2)c2sc(C)nc2c1=O ZINC000008956051 211022528 /nfs/dbraw/zinc/02/25/28/211022528.db2.gz LZWXEBPHQBXMJW-UHFFFAOYSA-N 0 0 346.437 2.192 50 30 EEEARN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1C=C[C@H]2CC1 ZINC000017066583 284989718 /nfs/dbraw/zinc/98/97/18/284989718.db2.gz FEIFNQZDWYBITD-MQKOUEBOSA-N 0 0 325.324 2.126 50 30 EEEARN CCN1CCN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)CC1 ZINC000004974195 210344857 /nfs/dbraw/zinc/34/48/57/210344857.db2.gz KPLGOMFFVPYIQK-UHFFFAOYSA-N 0 0 327.344 2.263 50 30 EEEARN N#Cc1cnc(SCC(=O)Nc2cc(Cl)ccc2O)nc1N ZINC000004935442 258051455 /nfs/dbraw/zinc/05/14/55/258051455.db2.gz SJYBGLNHTQCUEC-UHFFFAOYSA-N 0 0 335.776 2.020 50 30 EEEARN N#CCn1c(CSc2nnc(C3CC3)o2)nc2ccccc2c1=O ZINC000007289053 258052743 /nfs/dbraw/zinc/05/27/43/258052743.db2.gz DMJICROARZERTR-UHFFFAOYSA-N 0 0 339.380 2.473 50 30 EEEARN CCCCCn1c2nc3ccccn3c(=O)c2cc(C#N)/c1=N\C(C)=O ZINC000002411737 275971716 /nfs/dbraw/zinc/97/17/16/275971716.db2.gz DFRYPIGLROSKEQ-HEHNFIMWSA-N 0 0 349.394 2.158 50 30 EEEARN CCOc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)ccc1O ZINC000000086526 462541917 /nfs/dbraw/zinc/54/19/17/462541917.db2.gz NEDQOMVTOBPYGF-VCHYOVAHSA-N 0 0 340.387 2.376 50 30 EEEARN N#Cc1ccccc1COc1ccc(/C=C2\NC(=S)NC2=O)cc1 ZINC000000378304 462557394 /nfs/dbraw/zinc/55/73/94/462557394.db2.gz SXECLVTZQWRRGS-SXGWCWSVSA-N 0 0 335.388 2.482 50 30 EEEARN COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OC(C)=O ZINC000000251036 462551401 /nfs/dbraw/zinc/55/14/01/462551401.db2.gz VUQPCLIZTUQZEU-VXLYETTFSA-N 0 0 338.319 2.251 50 30 EEEARN CC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1O ZINC000000291408 462552783 /nfs/dbraw/zinc/55/27/83/462552783.db2.gz QOAPTLVPELBKDD-LBPRGKRZSA-N 0 0 325.162 2.372 50 30 EEEARN COC(=O)c1ccc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)cc1 ZINC000001439667 462582769 /nfs/dbraw/zinc/58/27/69/462582769.db2.gz XLHAALDGFWKHEN-UDWIEESQSA-N 0 0 348.362 2.283 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1 ZINC000004200591 462629447 /nfs/dbraw/zinc/62/94/47/462629447.db2.gz XNBNJSDHTDVESP-ZDUSSCGKSA-N 0 0 331.763 2.345 50 30 EEEARN Cc1ccc(S(=O)(=O)OC[C@@H](O)COCc2ccccc2)cc1 ZINC000004537760 462634171 /nfs/dbraw/zinc/63/41/71/462634171.db2.gz HBMUWOSOGHUWSS-INIZCTEOSA-N 0 0 336.409 2.278 50 30 EEEARN CCN(CCC#N)c1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-] ZINC000004684528 462635927 /nfs/dbraw/zinc/63/59/27/462635927.db2.gz SFSKWXSQQNQQFF-UHFFFAOYSA-N 0 0 330.344 2.378 50 30 EEEARN COC(=O)c1ccccc1OCC(N)=[NH+][N-]c1cccc(Cl)n1 ZINC000005210011 462650308 /nfs/dbraw/zinc/65/03/08/462650308.db2.gz QEYPZAUPNZKEMU-UHFFFAOYSA-N 0 0 334.763 2.285 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C#N)cc1 ZINC000006651106 462694576 /nfs/dbraw/zinc/69/45/76/462694576.db2.gz BPMSBROMDVMZBE-UHFFFAOYSA-N 0 0 335.363 2.411 50 30 EEEARN C[C@@H](c1ccccc1)N(C)C(=O)CSc1ncc(C#N)c(N)n1 ZINC000007047133 462719052 /nfs/dbraw/zinc/71/90/52/462719052.db2.gz TVQGAYXRPUCNED-NSHDSACASA-N 0 0 327.413 2.242 50 30 EEEARN N#CC1(NC(=O)CSc2nc(=O)c3ccsc3[nH]2)CCCC1 ZINC000008456807 462784764 /nfs/dbraw/zinc/78/47/64/462784764.db2.gz IYTFUHZXYSFOPK-UHFFFAOYSA-N 0 0 334.426 2.029 50 30 EEEARN COc1cc(CC(=O)NCC#Cc2ccccc2)cc(OC)c1OC ZINC000012730550 462865025 /nfs/dbraw/zinc/86/50/25/462865025.db2.gz MEJDVRFLYLUJBS-UHFFFAOYSA-N 0 0 339.391 2.423 50 30 EEEARN CC(=O)N(c1nc(Cn2cnc(C#N)n2)cs1)c1ccccc1F ZINC000014143828 462913155 /nfs/dbraw/zinc/91/31/55/462913155.db2.gz FJCULAIPBULHOC-UHFFFAOYSA-N 0 0 342.359 2.478 50 30 EEEARN Cn1c(Nc2cccc(Nc3ccccc3)c2)c(C#N)c(=O)n(C)c1=O ZINC000014213249 462918956 /nfs/dbraw/zinc/91/89/56/462918956.db2.gz VMKDLKQINNZVIQ-UHFFFAOYSA-N 0 0 347.378 2.443 50 30 EEEARN Cc1nnc(NCc2ccc(CN3CCOCC3)cc2)c(C#N)c1C ZINC000024054613 463076383 /nfs/dbraw/zinc/07/63/83/463076383.db2.gz IWNSKELGQQAGJP-UHFFFAOYSA-N 0 0 337.427 2.409 50 30 EEEARN Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1 ZINC000025758996 463137931 /nfs/dbraw/zinc/13/79/31/463137931.db2.gz DNULYRGWTFLJQL-UHFFFAOYSA-N 0 0 334.423 2.376 50 30 in-vivo EEEARN C=CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000028271264 463222044 /nfs/dbraw/zinc/22/20/44/463222044.db2.gz LLEIIKIRYXTGEG-OAHLLOKOSA-N 0 0 336.457 2.067 50 30 EEEARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1nc[nH]n1 ZINC000096919018 463300792 /nfs/dbraw/zinc/30/07/92/463300792.db2.gz VACVAKLSXQEIDZ-UHFFFAOYSA-N 0 0 328.357 2.348 50 30 EEEARN CC(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000030940657 463318405 /nfs/dbraw/zinc/31/84/05/463318405.db2.gz RRVPGHIXKRTLNR-UHFFFAOYSA-N 0 0 340.408 2.180 50 30 EEEARN Cc1oc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)c(C#N)c1C ZINC000097199808 463344276 /nfs/dbraw/zinc/34/42/76/463344276.db2.gz LQXQMZJNYVKARZ-CYBMUJFWSA-N 0 0 346.412 2.237 50 30 EEEARN N#CC(C(=O)NCc1ccccc1)=C(O)C=Cc1ccc2c(c1)OCO2 ZINC000103503555 463404138 /nfs/dbraw/zinc/40/41/38/463404138.db2.gz TVFDWZHBCNKNCX-BVBGJJFLSA-N 0 0 348.358 2.454 50 30 EEEARN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000058265342 463562162 /nfs/dbraw/zinc/56/21/62/463562162.db2.gz CBTFCQWWTDAXQN-CQSZACIVSA-N 0 0 329.448 2.320 50 30 EEEARN CCc1cc(C#N)c(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)s1 ZINC000126771260 463662153 /nfs/dbraw/zinc/66/21/53/463662153.db2.gz REUUJIKMNAHGDA-UHFFFAOYSA-N 0 0 348.428 2.231 50 30 EEEARN NC(=S)C(=NNc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000254480040 465019242 /nfs/dbraw/zinc/01/92/42/465019242.db2.gz DVYVGVUQPVXEAM-UHFFFAOYSA-N 0 0 344.362 2.382 50 30 EEEARN COc1cc(NC(=S)NCCCN2CCOCC2)cc(OC)c1 ZINC000018250927 522630752 /nfs/dbraw/zinc/63/07/52/522630752.db2.gz WVISDLWJTXHWIE-UHFFFAOYSA-N 0 0 339.461 2.124 50 30 EEEARN CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)NC1CCCCC1 ZINC000103052781 1369718934 /nfs/dbraw/zinc/71/89/34/1369718934.db2.gz GPWMTRGOZGGNHC-CXUHLZMHSA-N 0 0 338.473 2.467 50 30 EEEARN Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1 ZINC000100006079 219088264 /nfs/dbraw/zinc/08/82/64/219088264.db2.gz GDGFMKILCRDREF-HMMYKYKNSA-N 0 0 337.408 2.253 50 30 EEEARN COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(C)=O)cc1OC ZINC000004030589 210104800 /nfs/dbraw/zinc/10/48/00/210104800.db2.gz DEIVOVDTTBFALI-OAHLLOKOSA-N 0 0 336.413 2.094 50 30 EEEARN C#CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1OC ZINC000003667761 210071320 /nfs/dbraw/zinc/07/13/20/210071320.db2.gz SQDGYKUKDZVKCD-RAXLEYEMSA-N 0 0 330.409 2.175 50 30 EEEARN N#CCCN(/N=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21 ZINC000002969610 209947919 /nfs/dbraw/zinc/94/79/19/209947919.db2.gz FJGYFCWNGVWZEO-CPNJWEJPSA-N 0 0 338.392 2.385 50 30 EEEARN CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000036431064 213098378 /nfs/dbraw/zinc/09/83/78/213098378.db2.gz KQTUTKFAVZBPGR-UKRRQHHQSA-N 0 0 329.400 2.160 50 30 EEEARN COCCCN1C[C@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O ZINC000072425664 216216762 /nfs/dbraw/zinc/21/67/62/216216762.db2.gz WBACCPUYJMAHRU-LJQANCHMSA-N 0 0 342.443 2.199 50 30 EEEARN CN(C[C@@H]1Cc2ccccc2CO1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000225791131 242039118 /nfs/dbraw/zinc/03/91/18/242039118.db2.gz NJQBVAGNNYUJEC-KRWDZBQOSA-N 0 0 342.420 2.320 50 30 EEEARN N#Cc1nccnc1O[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000225799769 242041728 /nfs/dbraw/zinc/04/17/28/242041728.db2.gz NVRNWENYWZCYAB-ZDUSSCGKSA-N 0 0 334.335 2.388 50 30 EEEARN CN(Cc1ccccc1C#N)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000021282568 212218431 /nfs/dbraw/zinc/21/84/31/212218431.db2.gz NJYVHIJSUTYJFY-UHFFFAOYSA-N 0 0 344.392 2.150 50 30 EEEARN CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1cccc(C#N)c1 ZINC000011201815 211206322 /nfs/dbraw/zinc/20/63/22/211206322.db2.gz LTQWUJLFSRCGQA-INIZCTEOSA-N 0 0 343.383 2.108 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2sccc2C#N)n1 ZINC000009963975 211137936 /nfs/dbraw/zinc/13/79/36/211137936.db2.gz OIGJJCXVACRQGI-UHFFFAOYSA-N 0 0 334.426 2.386 50 30 EEEARN C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000004833466 210292136 /nfs/dbraw/zinc/29/21/36/210292136.db2.gz YQSIHHREZYUOKC-HNNXBMFYSA-N 0 0 332.356 2.061 50 30 EEEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/[C@H]3CCS(=O)(=O)C3)o2)c1 ZINC000004750686 210270365 /nfs/dbraw/zinc/27/03/65/210270365.db2.gz FASKTSYODKKWEU-RGZVIEDOSA-N 0 0 334.353 2.461 50 30 EEEARN Cc1cc(OS(C)(=O)=O)cc2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000006672268 258003160 /nfs/dbraw/zinc/00/31/60/258003160.db2.gz NDWISFHUCTXZLY-ZSOIEALJSA-N 0 0 331.349 2.345 50 30 EEEARN Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(C#N)cc1)CCO2 ZINC000057471939 132200890 /nfs/dbraw/zinc/20/08/90/132200890.db2.gz FCHPENKZYMJAJD-UHFFFAOYSA-N 0 0 336.347 2.449 50 30 EEEARN C#CCN1CCCC[C@H]1C(=O)N(C)C[C@H]1OCCc2ccccc21 ZINC000072230269 275382423 /nfs/dbraw/zinc/38/24/23/275382423.db2.gz MNFVRDUYUAYVNU-RBUKOAKNSA-N 0 0 326.440 2.247 50 30 EEEARN Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C#N)c2=N)cc1 ZINC000100631364 280846621 /nfs/dbraw/zinc/84/66/21/280846621.db2.gz BYIINSKSTYFCHI-UHFFFAOYSA-N 0 0 341.374 2.357 50 30 EEEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1C ZINC000017747164 280862075 /nfs/dbraw/zinc/86/20/75/280862075.db2.gz IPSCQGITTLBKGN-UHFFFAOYSA-N 0 0 346.390 2.257 50 30 EEEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1cccs1 ZINC000004178389 280891198 /nfs/dbraw/zinc/89/11/98/280891198.db2.gz ORPJYTNIUCZOKA-GFCCVEGCSA-N 0 0 343.408 2.325 50 30 EEEARN COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3N(C(C)=O)CC2 ZINC000000225570 295043648 /nfs/dbraw/zinc/04/36/48/295043648.db2.gz QHDTTYCECGBECX-HNNXBMFYSA-N 0 0 339.391 2.486 50 30 biogenic,in-vitro EEEARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C#N)cc1 ZINC000000514527 462567506 /nfs/dbraw/zinc/56/75/06/462567506.db2.gz UUPQNLWVQHEINH-UHFFFAOYSA-N 0 0 343.408 2.126 50 30 EEEARN COc1ccc2[nH]c3c(nc(C)n(/N=C/c4cccnc4)c3=O)c2c1 ZINC000000499596 462568089 /nfs/dbraw/zinc/56/80/89/462568089.db2.gz HLJHPARZYZBAAF-KEBDBYFISA-N 0 0 333.351 2.472 50 30 EEEARN CON=CNc1nc2nccc([C@H](C)Oc3cccc(OC)c3)n2n1 ZINC000003134391 462611157 /nfs/dbraw/zinc/61/11/57/462611157.db2.gz CNZDLMMQPBELOV-NSHDSACASA-N 0 0 342.359 2.275 50 30 EEEARN COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C#N ZINC000004024571 462626479 /nfs/dbraw/zinc/62/64/79/462626479.db2.gz JWAQPQBGSIUXQQ-UHFFFAOYSA-N 0 0 339.355 2.197 50 30 EEEARN N#Cc1ccc(OCC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000005406982 462658357 /nfs/dbraw/zinc/65/83/57/462658357.db2.gz FNWIBWUMYVYVDW-UHFFFAOYSA-N 0 0 341.392 2.153 50 30 EEEARN S=c1[nH]ncn1N=Cc1ccccc1I ZINC000006132885 462678144 /nfs/dbraw/zinc/67/81/44/462678144.db2.gz SBTOIKKJTUKVMM-LFYBBSHMSA-N 0 0 330.154 2.427 50 30 EEEARN CN(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000008010316 462763079 /nfs/dbraw/zinc/76/30/79/462763079.db2.gz FKDWPMOTOCYUSP-UHFFFAOYSA-N 0 0 338.363 2.139 50 30 EEEARN COc1ccc(-c2nc(Cn3c(N)nc(C#N)c3C#N)cs2)cc1 ZINC000012734233 462864705 /nfs/dbraw/zinc/86/47/05/462864705.db2.gz XCQBEPBQMOHLIZ-UHFFFAOYSA-N 0 0 336.380 2.389 50 30 EEEARN N#Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 ZINC000012814818 462870163 /nfs/dbraw/zinc/87/01/63/462870163.db2.gz UOAYVTWCTSXCKZ-UHFFFAOYSA-N 0 0 340.364 2.465 50 30 EEEARN N#Cc1cccnc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000019834963 463023065 /nfs/dbraw/zinc/02/30/65/463023065.db2.gz ZJRLNQWYOXWQAP-UHFFFAOYSA-N 0 0 325.347 2.446 50 30 EEEARN C=CCCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3C)n2C)C1 ZINC000095386136 463072799 /nfs/dbraw/zinc/07/27/99/463072799.db2.gz VIKGXQIPYCIVHV-HNNXBMFYSA-N 0 0 342.447 2.041 50 30 EEEARN Cc1nc(C(=O)NCc2cccc(Cn3ccnc3)c2)ccc1C#N ZINC000024752907 463097743 /nfs/dbraw/zinc/09/77/43/463097743.db2.gz RFQDHSBZQYVHHZ-UHFFFAOYSA-N 0 0 331.379 2.437 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1CCO[C@H](c2nccs2)C1 ZINC000097203720 463348976 /nfs/dbraw/zinc/34/89/76/463348976.db2.gz JAXHCMCRASIZRL-LBPRGKRZSA-N 0 0 348.453 2.478 50 30 EEEARN O=C1C=C(NC2=C[C@@H]3O[C@@H](c4ccccc4)OC[C@H]3OC2=O)CCC1 ZINC000034828742 463430322 /nfs/dbraw/zinc/43/03/22/463430322.db2.gz WIDOMGFQDHPMIW-SCTDSRPQSA-N 0 0 341.363 2.136 50 30 EEEARN C=CCN(C[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1)C(=O)NCC ZINC000035836042 463432944 /nfs/dbraw/zinc/43/29/44/463432944.db2.gz KKTUOWDMYDFPHZ-AWEZNQCLSA-N 0 0 347.415 2.414 50 30 EEEARN C=CCN1C(=O)C(=CNc2ccc(O)cc2)C(=O)N(CCCC)C1=O ZINC000105871165 463483230 /nfs/dbraw/zinc/48/32/30/463483230.db2.gz BMTFFTLTQAIZCT-NTCAYCPXSA-N 0 0 343.383 2.465 50 30 EEEARN CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@H]1[C@H]32 ZINC000247526682 464691059 /nfs/dbraw/zinc/69/10/59/464691059.db2.gz NKITVIAMISOQED-YNLUJRCYSA-N 0 0 330.446 2.309 50 30 EEEARN CCCCOc1c(C=NNc2[nH]c(=O)nnc2C)cccc1OC ZINC000004368063 520845992 /nfs/dbraw/zinc/84/59/92/520845992.db2.gz UBLZLVCCQDQQSH-LICLKQGHSA-N 0 0 331.376 2.107 50 30 EEEARN COc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc1OC ZINC000000429960 523455798 /nfs/dbraw/zinc/45/57/98/523455798.db2.gz NBYOICWMHJMNAT-VCHYOVAHSA-N 0 0 340.387 2.288 50 30 EEEARN Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccc(C)cc2)on1 ZINC000005565865 524194881 /nfs/dbraw/zinc/19/48/81/524194881.db2.gz YZTAZNPIVBISLK-UHFFFAOYSA-N 0 0 327.340 2.395 50 30 EEEARN CS(=O)(=O)OCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000020286773 525229187 /nfs/dbraw/zinc/22/91/87/525229187.db2.gz IEWBROJCHGYFSK-UHFFFAOYSA-N 0 0 327.402 2.011 50 30 EEEARN CC[C@@H](Cn1ccnc1)NC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000217425463 535777218 /nfs/dbraw/zinc/77/72/18/535777218.db2.gz CNQZWRSYNNAQNZ-KRWDZBQOSA-N 0 0 325.412 2.214 50 30 EEEARN OCC#Cc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)s1 ZINC001529126308 1121329105 /nfs/dbraw/zinc/32/91/05/1121329105.db2.gz ALXPAEICKPGAMT-RTBURBONSA-N 0 0 343.448 2.026 50 30 EEEARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c3ccccc32)C1 ZINC000051319045 214088913 /nfs/dbraw/zinc/08/89/13/214088913.db2.gz CURSCDRYHGBJKY-CQSZACIVSA-N 0 0 339.395 2.315 50 30 EEEARN C#CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC ZINC000004675954 210244506 /nfs/dbraw/zinc/24/45/06/210244506.db2.gz YPBNYIAKRFVKAD-GDNBJRDFSA-N 0 0 344.392 2.204 50 30 EEEARN C=CCNc1ccccc1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000065394460 214886678 /nfs/dbraw/zinc/88/66/78/214886678.db2.gz XOLZNXFLJRLLNT-GOSISDBHSA-N 0 0 335.407 2.337 50 30 EEEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004005738 210099220 /nfs/dbraw/zinc/09/92/20/210099220.db2.gz JLQPQZNXOIIXPL-OLZOCXBDSA-N 0 0 329.356 2.418 50 30 EEEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(C)nn(C)c1C ZINC000005593701 290922087 /nfs/dbraw/zinc/92/20/87/290922087.db2.gz QCQDPITVLGBTDK-QGZVFWFLSA-N 0 0 329.400 2.178 50 30 EEEARN CCN(CC)N=Nc1ccc(S(=O)(=O)N=C2NCCS2)cc1 ZINC000000306372 209527158 /nfs/dbraw/zinc/52/71/58/209527158.db2.gz HEUHBAWGUDSQIA-BMRADRMJSA-N 0 0 341.462 2.408 50 30 EEEARN COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000083990 209410157 /nfs/dbraw/zinc/41/01/57/209410157.db2.gz LCPDHSZYRSTOKS-GZTJUZNOSA-N 0 0 334.397 2.325 50 30 EEEARN CCc1cc(N2CCN(c3ccccc3C#N)CC2)n2nccc2n1 ZINC000072423420 216213380 /nfs/dbraw/zinc/21/33/80/216213380.db2.gz MEFLRXQYSPPHCE-UHFFFAOYSA-N 0 0 332.411 2.490 50 30 EEEARN CN(CC(=O)OC1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000022957573 212339194 /nfs/dbraw/zinc/33/91/94/212339194.db2.gz HKHLHNXRHWPPSC-UHFFFAOYSA-N 0 0 336.413 2.055 50 30 EEEARN O=C(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O)c1ccco1 ZINC000020156522 212107068 /nfs/dbraw/zinc/10/70/68/212107068.db2.gz QQUNMFIBEOSBHD-RMKNXTFCSA-N 0 0 344.239 2.227 50 30 EEEARN CNc1snc(C)c1C(=O)OCC(=O)Nc1sccc1C#N ZINC000016554026 211913225 /nfs/dbraw/zinc/91/32/25/211913225.db2.gz VAFPYRMGPHHQRA-UHFFFAOYSA-N 0 0 336.398 2.222 50 30 EEEARN COc1cc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)ccc1O ZINC000012347332 211354551 /nfs/dbraw/zinc/35/45/51/211354551.db2.gz LHAYPQUJVPMBCX-CYBMUJFWSA-N 0 0 327.340 2.394 50 30 EEEARN C=CCNC(=O)[C@@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C ZINC000010726590 211187223 /nfs/dbraw/zinc/18/72/23/211187223.db2.gz ISFWVFBHQOQKDT-GFCCVEGCSA-N 0 0 328.368 2.399 50 30 EEEARN C=CCn1c(SCC(=O)N2CCNC2=O)nnc1C1CCCCC1 ZINC000006589582 258044734 /nfs/dbraw/zinc/04/47/34/258044734.db2.gz TVMNSDWWJQEHAQ-UHFFFAOYSA-N 0 0 349.460 2.156 50 30 EEEARN C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000008059705 277856953 /nfs/dbraw/zinc/85/69/53/277856953.db2.gz RVMLRNABIGJCIT-LSDHHAIUSA-N 0 0 336.482 2.062 50 30 EEEARN C=CCOC(=O)[C@]12C[C@@](C)(OC(C)=O)[C@@H]1c1ccccc1OC2=O ZINC000103108403 277873657 /nfs/dbraw/zinc/87/36/57/277873657.db2.gz OXEJIIKLRXTAFZ-QGTPRVQTSA-N 0 0 330.336 2.130 50 30 EEEARN CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc2c(c1)OCO2 ZINC000005726697 278180732 /nfs/dbraw/zinc/18/07/32/278180732.db2.gz RUABOSSMJZGLKL-CAOOACKPSA-N 0 0 346.412 2.269 50 30 EEEARN COc1cccc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)c1OC ZINC000000222590 295315363 /nfs/dbraw/zinc/31/53/63/295315363.db2.gz YPUAKJFRIYBTEH-OAHLLOKOSA-N 0 0 326.356 2.317 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC000000043623 462540575 /nfs/dbraw/zinc/54/05/75/462540575.db2.gz DBZWFUBFIZTYHI-AWEZNQCLSA-N 0 0 329.352 2.159 50 30 EEEARN Cc1ccc2[nH]c3c([nH]c(=O)n(N=Cc4ccc(O)cc4)c3=O)c2c1 ZINC000000502039 462567560 /nfs/dbraw/zinc/56/75/60/462567560.db2.gz VEHRFXYDVKQKMY-UHFFFAOYSA-N 0 0 334.335 2.067 50 30 EEEARN C=CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000003205637 462612773 /nfs/dbraw/zinc/61/27/73/462612773.db2.gz XNPPIYOLPTVZFL-CQSZACIVSA-N 0 0 331.328 2.294 50 30 EEEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000004263346 462631047 /nfs/dbraw/zinc/63/10/47/462631047.db2.gz ZTMKPNCPEMFGJR-LBPRGKRZSA-N 0 0 343.770 2.281 50 30 EEEARN C=CCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005830688 462670204 /nfs/dbraw/zinc/67/02/04/462670204.db2.gz AUINMUGEHVIMPZ-GZTJUZNOSA-N 0 0 333.417 2.179 50 30 EEEARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 ZINC000012759368 462867458 /nfs/dbraw/zinc/86/74/58/462867458.db2.gz CKVRMNRJTYGEBT-XJKSGUPXSA-N 0 0 349.456 2.187 50 30 EEEARN Cc1sc2nc(CN3CCCC3)nc(-n3cnc(C#N)n3)c2c1C ZINC000014272210 462923377 /nfs/dbraw/zinc/92/33/77/462923377.db2.gz WWFYAKHLFASTQC-UHFFFAOYSA-N 0 0 339.428 2.356 50 30 EEEARN COc1ccc(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000077439107 462984493 /nfs/dbraw/zinc/98/44/93/462984493.db2.gz JIUZPCGJIPTMAY-UHFFFAOYSA-N 0 0 349.390 2.051 50 30 EEEARN C=CCNC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000017045952 462992123 /nfs/dbraw/zinc/99/21/23/462992123.db2.gz INFYAFWRYSZXTN-UHFFFAOYSA-N 0 0 335.454 2.258 50 30 EEEARN C=CCn1cnnc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000019357315 463017264 /nfs/dbraw/zinc/01/72/64/463017264.db2.gz BIWWSPYZEHCDDL-UHFFFAOYSA-N 0 0 333.804 2.418 50 30 EEEARN CC(=O)NCc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1 ZINC000025588837 463131483 /nfs/dbraw/zinc/13/14/83/463131483.db2.gz BGQJXVPSHZDUML-UHFFFAOYSA-N 0 0 338.363 2.430 50 30 EEEARN Cc1noc(C(C)C)c1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000030939687 463318488 /nfs/dbraw/zinc/31/84/88/463318488.db2.gz WTSPMOVOTFPGBO-UHFFFAOYSA-N 0 0 339.399 2.336 50 30 EEEARN C=CCN1CC2=C(C1=O)[C@@H](c1c(OC)ccc3ccccc31)NC(=O)N2 ZINC000057531443 463499743 /nfs/dbraw/zinc/49/97/43/463499743.db2.gz JPYILDZFZCPUMK-GOSISDBHSA-N 0 0 349.390 2.485 50 30 EEEARN Cc1ccccc1N1CCN(C(=O)c2cc(F)cc(C#N)c2)CC1=O ZINC000082097916 463514653 /nfs/dbraw/zinc/51/46/53/463514653.db2.gz ASCLHIJBEIDMFM-UHFFFAOYSA-N 0 0 337.354 2.495 50 30 EEEARN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000222209906 464127909 /nfs/dbraw/zinc/12/79/09/464127909.db2.gz OLNJNJGDSIMNMI-ZIAGYGMSSA-N 0 0 348.472 2.248 50 30 EEEARN C/N=C1\S/C(=C\c2ccc(N3CCOCC3)cc2OC)C(=O)N1C ZINC000225386119 464156836 /nfs/dbraw/zinc/15/68/36/464156836.db2.gz PZIWDXXFBJRPSU-YBKXKOAPSA-N 0 0 347.440 2.064 50 30 EEEARN C=CCn1c(SCc2nc(N)nc(N)n2)nnc1C1CCCCC1 ZINC000007149787 519247341 /nfs/dbraw/zinc/24/73/41/519247341.db2.gz XYMZKAISBUTWEM-UHFFFAOYSA-N 0 0 346.464 2.154 50 30 EEEARN CN(C(=O)CSc1ncnc2c1cnn2C)C1(C#N)CCCCC1 ZINC000011682691 523841900 /nfs/dbraw/zinc/84/19/00/523841900.db2.gz YMRBGWUFZVLDKD-UHFFFAOYSA-N 0 0 344.444 2.140 50 30 EEEARN Cc1nc(CCNC(=O)CCc2c(C)nn(CCC#N)c2C)cs1 ZINC000022956563 526815734 /nfs/dbraw/zinc/81/57/34/526815734.db2.gz IYIBTGFSDZUIBI-UHFFFAOYSA-N 0 0 345.472 2.470 50 30 EEEARN CCCN1C[C@@H](NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC1=O ZINC000426690260 534979617 /nfs/dbraw/zinc/97/96/17/534979617.db2.gz HTJRVHFTPNBVSG-SFHVURJKSA-N 0 0 348.406 2.361 50 30 EEEARN OCC#Cc1csc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1 ZINC001529196719 1121364653 /nfs/dbraw/zinc/36/46/53/1121364653.db2.gz FMAMMSVNVVYXFT-RTBURBONSA-N 0 0 343.448 2.026 50 30 EEEARN CSc1nc2n(n1)[C@@H](c1cnn(C)c1C)C1C(=O)CCCC1=N2 ZINC000006921773 295690230 /nfs/dbraw/zinc/69/02/30/295690230.db2.gz KSJGDKMFKNLECJ-ZDUSSCGKSA-N 0 0 330.417 2.064 50 30 EEEARN CCn1ccnc1CN1CC[C@H](CNC(=O)c2ccc(C#N)cc2)C1 ZINC000067712971 215191628 /nfs/dbraw/zinc/19/16/28/215191628.db2.gz MBXIFUMROLYWGI-MRXNPFEDSA-N 0 0 337.427 2.027 50 30 EEEARN Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)on1 ZINC000029049714 212649905 /nfs/dbraw/zinc/64/99/05/212649905.db2.gz CNYGODIUOYTLOS-OAHLLOKOSA-N 0 0 328.347 2.145 50 30 EEEARN CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC)o2)cc1 ZINC000012421032 211374394 /nfs/dbraw/zinc/37/43/94/211374394.db2.gz OZIXSGYSOFSJNH-UHFFFAOYSA-N 0 0 334.401 2.285 50 30 EEEARN CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)cc1 ZINC000012414031 211373721 /nfs/dbraw/zinc/37/37/21/211373721.db2.gz QHABDZVHFXVBPH-RDVROUHDSA-N 0 0 335.407 2.284 50 30 EEEARN C/C(Cn1nnc([N+](=O)[O-])n1)=N\c1sc2c(c1C#N)CCCC2 ZINC000012362706 211355655 /nfs/dbraw/zinc/35/56/55/211355655.db2.gz HCTOCKJIYGRUDP-OVCLIPMQSA-N 0 0 331.361 2.186 50 30 EEEARN COc1ccc([C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2NC(C)=O)cc1 ZINC000091519011 218016891 /nfs/dbraw/zinc/01/68/91/218016891.db2.gz QOFCMOXHZXDXRE-ZWKOTPCHSA-N 0 0 336.395 2.070 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000009470235 135687311 /nfs/dbraw/zinc/68/73/11/135687311.db2.gz FWXQHJDHTPKWGC-VQIMIIECSA-N 0 0 328.460 2.252 50 30 EEEARN C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O ZINC000006660818 273483737 /nfs/dbraw/zinc/48/37/37/273483737.db2.gz VOLJWSDKQQUJML-UHFFFAOYSA-N 0 0 336.351 2.184 50 30 EEEARN COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3N(C(C)=O)CC2 ZINC000000225571 295043547 /nfs/dbraw/zinc/04/35/47/295043547.db2.gz QHDTTYCECGBECX-OAHLLOKOSA-N 0 0 339.391 2.486 50 30 biogenic,in-vitro EEEARN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)c1OC ZINC000000222588 295326524 /nfs/dbraw/zinc/32/65/24/295326524.db2.gz YPUAKJFRIYBTEH-HNNXBMFYSA-N 0 0 326.356 2.317 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(I)c(C)c1 ZINC000231416948 464205189 /nfs/dbraw/zinc/20/51/89/464205189.db2.gz WVCQRBQZCMTLMJ-UHFFFAOYSA-N 0 0 337.182 2.064 50 30 EEEARN CCOc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Cl)=C2)cc1 ZINC000000189760 462546560 /nfs/dbraw/zinc/54/65/60/462546560.db2.gz FVEQUZICRGMITR-MHWRWJLKSA-N 0 0 325.773 2.477 50 30 EEEARN CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 ZINC000000550624 462570654 /nfs/dbraw/zinc/57/06/54/462570654.db2.gz PYADEZJCZPNOMB-ZDUSSCGKSA-N 0 0 340.383 2.025 50 30 EEEARN COC(=O)CCCC=C1SC[C@@H](NC(=O)c2ccccc2)C1=O ZINC000002896923 462606796 /nfs/dbraw/zinc/60/67/96/462606796.db2.gz REWMSZNKXQXWJY-OZYJXZHSSA-N 0 0 333.409 2.328 50 30 biogenic EEEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nncn1-c1ccccc1 ZINC000003452709 462620136 /nfs/dbraw/zinc/62/01/36/462620136.db2.gz WYGOVLCUIXWCFI-INIZCTEOSA-N 0 0 329.429 2.414 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000003518768 462621782 /nfs/dbraw/zinc/62/17/82/462621782.db2.gz PMUGGYHUFARFIW-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C ZINC000005377231 462657070 /nfs/dbraw/zinc/65/70/70/462657070.db2.gz UMTFUYSOVJKKDE-FJOSAAFMSA-N 0 0 338.454 2.006 50 30 EEEARN C[C@H](c1ccccc1)N(C)C(=O)CSc1ncc(C#N)c(N)n1 ZINC000007047134 462718702 /nfs/dbraw/zinc/71/87/02/462718702.db2.gz TVQGAYXRPUCNED-LLVKDONJSA-N 0 0 327.413 2.242 50 30 EEEARN C=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000007517370 462738868 /nfs/dbraw/zinc/73/88/68/462738868.db2.gz ZLCZPFRJLOBHBQ-UHFFFAOYSA-N 0 0 327.475 2.108 50 30 EEEARN O=C(NCC#CCOc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000090610498 462802987 /nfs/dbraw/zinc/80/29/87/462802987.db2.gz JGLVINOHIAAMGL-UHFFFAOYSA-N 0 0 327.311 2.367 50 30 EEEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=S)NC ZINC000012654339 462862301 /nfs/dbraw/zinc/86/23/01/462862301.db2.gz OMLNOOKFDGTOHR-UHFFFAOYSA-N 0 0 348.428 2.246 50 30 EEEARN CN1CCc2c(C#N)c(NCCc3ccccc3)n3cnnc3c2C1 ZINC000013729689 462901904 /nfs/dbraw/zinc/90/19/04/462901904.db2.gz XIPAZLBFKGIYNT-UHFFFAOYSA-N 0 0 332.411 2.243 50 30 EEEARN N#Cc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000022748897 463054244 /nfs/dbraw/zinc/05/42/44/463054244.db2.gz RUSQTJIMFLVQLK-IBGZPJMESA-N 0 0 335.407 2.362 50 30 EEEARN N#Cc1cccc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000023305073 463065223 /nfs/dbraw/zinc/06/52/23/463065223.db2.gz AEROLRZJNWDOTO-UHFFFAOYSA-N 0 0 348.362 2.262 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(C)C)s1 ZINC000025051508 463106841 /nfs/dbraw/zinc/10/68/41/463106841.db2.gz OOIXSOYPTIXHCF-UHFFFAOYSA-N 0 0 345.428 2.410 50 30 EEEARN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000025115155 463109823 /nfs/dbraw/zinc/10/98/23/463109823.db2.gz KTJQJMVYLKATEZ-UHFFFAOYSA-N 0 0 347.374 2.484 50 30 EEEARN CC(=O)C1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000136233462 463230493 /nfs/dbraw/zinc/23/04/93/463230493.db2.gz OACSUKAIVHQATB-IKGGRYGDSA-N 0 0 333.340 2.439 50 30 EEEARN CCNc1nc(N=NCc2ccc(N(C)C)cc2)nc(NCC)n1 ZINC000030072229 463285966 /nfs/dbraw/zinc/28/59/66/463285966.db2.gz DAXNQXUJJPOCCF-ODLFYWEKSA-N 0 0 328.424 2.247 50 30 EEEARN N#CC1(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CCCC1 ZINC000032423789 463376024 /nfs/dbraw/zinc/37/60/24/463376024.db2.gz PPXHMVSKVGJGDJ-UHFFFAOYSA-N 0 0 339.439 2.350 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000101918689 463382228 /nfs/dbraw/zinc/38/22/28/463382228.db2.gz OMWNOKJYQHLARR-OAHLLOKOSA-N 0 0 331.335 2.228 50 30 EEEARN C=CCn1c(SCC(=O)NC(=O)NCC)nnc1-c1ccccc1 ZINC000003517978 519204361 /nfs/dbraw/zinc/20/43/61/519204361.db2.gz JIPVKEDDABJEMZ-UHFFFAOYSA-N 0 0 345.428 2.069 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000007652148 519807671 /nfs/dbraw/zinc/80/76/71/519807671.db2.gz VOABAXKZMDLNQH-IWAYRVGRSA-N 0 0 345.355 2.206 50 30 EEEARN CCOc1cc(/C=N/N2CCN(c3ccccn3)CC2)ccc1O ZINC000015658754 520639603 /nfs/dbraw/zinc/63/96/03/520639603.db2.gz RZEABXZSQWHLFK-XSFVSMFZSA-N 0 0 326.400 2.342 50 30 EEEARN CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCc1ccccc1 ZINC000033337990 521929062 /nfs/dbraw/zinc/92/90/62/521929062.db2.gz HCZRNFFKBBZMEP-MTJSOVHGSA-N 0 0 349.394 2.407 50 30 EEEARN O=C(CN1CCN(CC(=O)c2c[nH]c3ccccc23)CC1)NC1CC1 ZINC000022775875 526768076 /nfs/dbraw/zinc/76/80/76/526768076.db2.gz GWFGRHWSWJBIHC-UHFFFAOYSA-N 0 0 340.427 2.087 50 30 EEEARN O=C(CC1S/C(=N/C2CCCC2)NC1=O)NCc1ccccc1 ZINC000021132133 527184113 /nfs/dbraw/zinc/18/41/13/527184113.db2.gz AZEFCELEDFNNSX-CQSZACIVSA-N 0 0 331.441 2.223 50 30 EEEARN Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](n3cnc([N+](=O)[O-])c3)C2)cc1 ZINC000101003751 219113547 /nfs/dbraw/zinc/11/35/47/219113547.db2.gz IHKFZLVXBRHARG-HAQNSBGRSA-N 0 0 337.357 2.209 50 30 EEEARN Cc1cn2nc(N3CC[C@@H](CNc4ccc(C#N)cn4)C3)sc2n1 ZINC000065478129 214927234 /nfs/dbraw/zinc/92/72/34/214927234.db2.gz NKCWZKWDWVDZET-ZDUSSCGKSA-N 0 0 339.428 2.304 50 30 EEEARN O=S(=O)(N/N=C/c1cccnc1)c1ccc(Br)cc1 ZINC000003157284 209970502 /nfs/dbraw/zinc/97/05/02/209970502.db2.gz IFFGXWBHJDFKBK-OQLLNIDSSA-N 0 0 340.202 2.157 50 30 EEEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]CCNc1ccccc1)C2 ZINC000067674848 215180588 /nfs/dbraw/zinc/18/05/88/215180588.db2.gz GYOLIEFIZZMSRP-HNNXBMFYSA-N 0 0 340.427 2.326 50 30 EEEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCN2)cc1)c1ccccc1 ZINC000035264453 213017473 /nfs/dbraw/zinc/01/74/73/213017473.db2.gz CLLHVIKANFDEMX-UHFFFAOYSA-N 0 0 343.408 2.410 50 30 EEEARN CCc1cc2c(ncnc2N(C)CCCc2[nH]nc(N)c2C#N)s1 ZINC000024059487 212407334 /nfs/dbraw/zinc/40/73/34/212407334.db2.gz SUFJNMHWHLCPLB-UHFFFAOYSA-N 0 0 341.444 2.500 50 30 EEEARN CN(C[C@@H]1COc2ccccc2O1)C(=O)COc1ccccc1C#N ZINC000023183659 212357882 /nfs/dbraw/zinc/35/78/82/212357882.db2.gz LFIDBXPRERRSIV-OAHLLOKOSA-N 0 0 338.363 2.235 50 30 EEEARN C=CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000021876931 212259107 /nfs/dbraw/zinc/25/91/07/212259107.db2.gz TZFUEWHUOREOJP-UHFFFAOYSA-N 0 0 330.837 2.286 50 30 EEEARN N#Cc1nc(COc2ccccc2F)oc1NCCN1CCOCC1 ZINC000019973726 212092144 /nfs/dbraw/zinc/09/21/44/212092144.db2.gz NXHVFXFBYWUYCW-UHFFFAOYSA-N 0 0 346.362 2.008 50 30 EEEARN C=CCNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195275 211317426 /nfs/dbraw/zinc/31/74/26/211317426.db2.gz JKZHVZUZZWFXEQ-UHFFFAOYSA-N 0 0 328.821 2.186 50 30 EEEARN CC(C)c1ccc(C#N)c(N2C[C@H](NC(=O)CCO)[C@@H](C(C)C)C2)n1 ZINC000092037718 218108194 /nfs/dbraw/zinc/10/81/94/218108194.db2.gz PUNKJRLWLDPVEV-WBVHZDCISA-N 0 0 344.459 2.036 50 30 EEEARN C=CCNC(=O)Cn1c(CO)cnc1SCc1ccccc1F ZINC000009827541 211124981 /nfs/dbraw/zinc/12/49/81/211124981.db2.gz YAGNSXKMAGZTLK-UHFFFAOYSA-N 0 0 335.404 2.109 50 30 EEEARN Cc1ccc(-n2c(S[C@@H](C)C#N)nnc2N2CCOCC2)cc1 ZINC000009322810 211068133 /nfs/dbraw/zinc/06/81/33/211068133.db2.gz WBLIEJUUBRTYQM-ZDUSSCGKSA-N 0 0 329.429 2.417 50 30 EEEARN C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000005687059 210516928 /nfs/dbraw/zinc/51/69/28/210516928.db2.gz YXZVRWVQISMPBS-LRDDRELGSA-N 0 0 338.363 2.041 50 30 EEEARN COc1cccc(/C=C2\NS(=O)(=O)c3ccccc3C2=O)c1OC ZINC000009421828 278007088 /nfs/dbraw/zinc/00/70/88/278007088.db2.gz OFDWQDRHBZBOHY-RAXLEYEMSA-N 0 0 345.376 2.220 50 30 EEEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3cccc(Br)c3)C12 ZINC000018195995 304624023 /nfs/dbraw/zinc/62/40/23/304624023.db2.gz CKVDUPFQWSLZQV-ZDUSSCGKSA-N 0 0 346.188 2.458 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000381137 462558288 /nfs/dbraw/zinc/55/82/88/462558288.db2.gz QEXTVQZMDFSGFG-ZFWWWQNUSA-N 0 0 346.339 2.058 50 30 EEEARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000001279625 462578817 /nfs/dbraw/zinc/57/88/17/462578817.db2.gz MOVOJKLYPOBHAC-JTQLQIEISA-N 0 0 335.751 2.098 50 30 EEEARN CCO[C@H]1N(C)C(=O)C(C#N)=NN1c1cccc(C(F)(F)F)c1 ZINC000001408836 462581815 /nfs/dbraw/zinc/58/18/15/462581815.db2.gz ZUWZWYQBRHWAEK-ZDUSSCGKSA-N 0 0 326.278 2.183 50 30 EEEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCOCCO ZINC000001795640 462588067 /nfs/dbraw/zinc/58/80/67/462588067.db2.gz HEXGHSSWNVYNTI-UHFFFAOYSA-N 0 0 339.391 2.494 50 30 EEEARN N#Cc1ccsc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000003509739 462621579 /nfs/dbraw/zinc/62/15/79/462621579.db2.gz MQMQPRNYMPYBPV-UHFFFAOYSA-N 0 0 342.409 2.326 50 30 EEEARN COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000005165123 462647353 /nfs/dbraw/zinc/64/73/53/462647353.db2.gz IOFMVSVRZIZBDV-UHFFFAOYSA-N 0 0 325.368 2.443 50 30 EEEARN C=CC[NH2+][C@H](CC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000005258464 462651915 /nfs/dbraw/zinc/65/19/15/462651915.db2.gz AGWGALYWLUXGMZ-LLVKDONJSA-N 0 0 327.178 2.007 50 30 EEEARN N#Cc1cnc(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000128686463 462663386 /nfs/dbraw/zinc/66/33/86/462663386.db2.gz IACUCSYSEYHDHA-CYBMUJFWSA-N 0 0 331.738 2.358 50 30 EEEARN COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000006668048 462695725 /nfs/dbraw/zinc/69/57/25/462695725.db2.gz SGYBCDQFLNSPMR-OAHLLOKOSA-N 0 0 336.347 2.351 50 30 EEEARN C=CCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000007873288 462754889 /nfs/dbraw/zinc/75/48/89/462754889.db2.gz ZCAFORKUMGAXBJ-LBPRGKRZSA-N 0 0 342.351 2.379 50 30 EEEARN N#Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1 ZINC000008114957 462767021 /nfs/dbraw/zinc/76/70/21/462767021.db2.gz HLLFBIMZFQTTDQ-UHFFFAOYSA-N 0 0 348.156 2.282 50 30 EEEARN CCCCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n[nH]c1=O ZINC000008707190 462791278 /nfs/dbraw/zinc/79/12/78/462791278.db2.gz HUROIFVWKALFDJ-LLVKDONJSA-N 0 0 345.428 2.362 50 30 EEEARN N#Cc1cnc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1N ZINC000010323236 462817392 /nfs/dbraw/zinc/81/73/92/462817392.db2.gz SCGPWCBPRYFNLM-ZDUSSCGKSA-N 0 0 343.387 2.182 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)CN2CCOc3ccccc3C2)C1 ZINC000091270312 462868121 /nfs/dbraw/zinc/86/81/21/462868121.db2.gz MFNNMAZMYOMUSV-FQEVSTJZSA-N 0 0 344.455 2.058 50 30 EEEARN CN(C)c1ccc(/C=C2\NS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000013681740 462900070 /nfs/dbraw/zinc/90/00/70/462900070.db2.gz TZUPWQYBQUBAOK-PTNGSMBKSA-N 0 0 328.393 2.268 50 30 EEEARN CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000014108789 462911562 /nfs/dbraw/zinc/91/15/62/462911562.db2.gz QWUILTHOOKZDSP-UHFFFAOYSA-N 0 0 336.395 2.047 50 30 EEEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1ccc(C(N)=O)cc1 ZINC000014305525 462924727 /nfs/dbraw/zinc/92/47/27/462924727.db2.gz LBABYNSRAVUCSE-NVNXTCNLSA-N 0 0 332.425 2.318 50 30 EEEARN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N2CCOCC2)o1 ZINC000024573471 463090827 /nfs/dbraw/zinc/09/08/27/463090827.db2.gz GOXAORZWSLTANQ-KRWDZBQOSA-N 0 0 339.395 2.263 50 30 EEEARN N#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000024809763 463099416 /nfs/dbraw/zinc/09/94/16/463099416.db2.gz KFZQQKQULZORFA-UHFFFAOYSA-N 0 0 333.269 2.344 50 30 EEEARN COc1ccc(OC)c2c1CN(C(=O)C#Cc1ccccc1)C[C@@H]2O ZINC000121634592 463169803 /nfs/dbraw/zinc/16/98/03/463169803.db2.gz LOMCDWPPJVYWLB-INIZCTEOSA-N 0 0 337.375 2.131 50 30 EEEARN C[C@H]1CCCCN1S(=O)(=O)N(C)Cc1cc(C#N)ccc1F ZINC000030382587 463297381 /nfs/dbraw/zinc/29/73/81/463297381.db2.gz BXKIEXMBQNOOKR-LBPRGKRZSA-N 0 0 325.409 2.248 50 30 EEEARN CN(C)c1ncnc2c1CN(Cc1cn3ccccc3c1C#N)CC2 ZINC000097200437 463345584 /nfs/dbraw/zinc/34/55/84/463345584.db2.gz SXKDCFCWKZRJEF-UHFFFAOYSA-N 0 0 332.411 2.225 50 30 EEEARN N=C(NN=Cc1ccco1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000101828351 463382526 /nfs/dbraw/zinc/38/25/26/463382526.db2.gz AWANKLNKBFFQQV-SGPNVBEDSA-N 0 0 342.380 2.203 50 30 EEEARN CCOCCCNC(=O)C(C#N)=C(O)C=C(C)c1ccc(F)cc1 ZINC000103682057 463406422 /nfs/dbraw/zinc/40/64/22/463406422.db2.gz VKGHFELPNOMXJS-BYIUCRAPSA-N 0 0 332.375 2.481 50 30 EEEARN COc1ccc([C@H](Nc2ccnc(OC)c2C#N)[C@H]2C[C@H](O)C2)cn1 ZINC000222600009 464131356 /nfs/dbraw/zinc/13/13/56/464131356.db2.gz NYCWUHALWNVEGV-AHIWAGSCSA-N 0 0 340.383 2.290 50 30 EEEARN CC/N=C1\SC(CC(=O)NCCc2ccccc2)C(=O)N1CC ZINC000004699840 520209314 /nfs/dbraw/zinc/20/93/14/520209314.db2.gz IETKDGWGRWGTIS-DNZUHHBVSA-N 0 0 333.457 2.075 50 30 EEEARN N#CCc1ccc(NC(=O)COC(=O)c2cnc3ccccc3n2)cc1 ZINC000006880182 526482331 /nfs/dbraw/zinc/48/23/31/526482331.db2.gz ZAQSWFCRFGZZQP-UHFFFAOYSA-N 0 0 346.346 2.491 50 30 EEEARN Cc1sc2ncnc(NCCNC(=O)C3N=CC=CC3=O)c2c1C ZINC000104013893 526899793 /nfs/dbraw/zinc/89/97/93/526899793.db2.gz HXFLEVDEMCLZQS-SQFISAMPSA-N 0 0 343.412 2.246 50 30 EEEARN Nc1nonc1C(=NOC(=O)Nc1ccccc1)N1CCCCC1 ZINC000000545321 527578654 /nfs/dbraw/zinc/57/86/54/527578654.db2.gz LBGLKYKJNROCEU-XSFVSMFZSA-N 0 0 330.348 2.048 50 30 EEEARN COc1cc2c(cc1OC)C(=CC(=O)C(=O)OC(C)C)NC(C)(C)C2 ZINC000100457963 675757528 /nfs/dbraw/zinc/75/75/28/675757528.db2.gz FCLSSEQIBBIBFO-ZROIWOOFSA-N 0 0 347.411 2.490 50 30 EEEARN C=CCNC(=O)[C@H]1C[C@@H](C(=O)OC)N(C)[C@H]1c1cccc(Cl)c1 ZINC000015068514 684817040 /nfs/dbraw/zinc/81/70/40/684817040.db2.gz JRPDGLHAYSKPTE-KKUMJFAQSA-N 0 0 336.819 2.177 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(c3ncnc4ccccc43)CC2)c1 ZINC000074765842 1208539274 /nfs/dbraw/zinc/53/92/74/1208539274.db2.gz AJFDUUKTYMOHTO-UHFFFAOYSA-N 0 0 343.390 2.464 50 30 EEEARN C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)C(=O)NC1=S ZINC000016511212 1227497926 /nfs/dbraw/zinc/49/79/26/1227497926.db2.gz CLHOMIRRHFTDEW-QINSGFPZSA-N 0 0 343.452 2.346 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2)o1 ZINC001506396759 1114595431 /nfs/dbraw/zinc/59/54/31/1114595431.db2.gz KEHIEZJBQJHOFF-OAHLLOKOSA-N 0 0 331.343 2.005 50 30 EEEARN C=CCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1OC ZINC001529120639 1121324805 /nfs/dbraw/zinc/32/48/05/1121324805.db2.gz HCAXTHMGZJVTAB-IYBDPMFKSA-N 0 0 332.444 2.319 50 30 EEEARN C=C(C)COc1cccc(C(=O)N[C@H](COC)c2ccnn2C)c1 ZINC000055308530 214305413 /nfs/dbraw/zinc/30/54/13/214305413.db2.gz AMQOLPZVTZCURS-MRXNPFEDSA-N 0 0 329.400 2.493 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=C(C)Nc2ccccc2O)C(=O)CC1(C)C ZINC000100281825 219096042 /nfs/dbraw/zinc/09/60/42/219096042.db2.gz SMRHUUSBENNFAB-YVGNARHYSA-N 0 0 331.368 2.435 50 30 EEEARN Cc1ncc2c(c1C#N)CCN(C(=O)CCc1[nH]nc3c1CCCC3)C2 ZINC000067788996 215213436 /nfs/dbraw/zinc/21/34/36/215213436.db2.gz BQWYGPSTDRKDRV-UHFFFAOYSA-N 0 0 349.438 2.381 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000036705925 213110502 /nfs/dbraw/zinc/11/05/02/213110502.db2.gz PGNZHAZSKBKVTE-UHFFFAOYSA-N 0 0 345.406 2.393 50 30 EEEARN CS(=O)(=O)Cc1ccc(C(=O)NCC#Cc2ccccc2)cc1 ZINC000032899017 212863039 /nfs/dbraw/zinc/86/30/39/212863039.db2.gz XAIVLAVPYBHZDM-UHFFFAOYSA-N 0 0 327.405 2.013 50 30 EEEARN C#CCN1CCCC[C@H]1C(=O)N[C@@H]1CCOc2c(OC)cc(C)cc21 ZINC000072230288 216071316 /nfs/dbraw/zinc/07/13/16/216071316.db2.gz ZHORKMYGWPHGNY-SJORKVTESA-N 0 0 342.439 2.431 50 30 EEEARN COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000000062465 209396089 /nfs/dbraw/zinc/39/60/89/209396089.db2.gz QXDDXRUPJCLRPF-VXLYETTFSA-N 0 0 340.335 2.343 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)N2CCCCCCC2)nc1N ZINC000023641634 212388048 /nfs/dbraw/zinc/38/80/48/212388048.db2.gz KOVJXBWMVVYPPM-UHFFFAOYSA-N 0 0 329.429 2.292 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000012343815 211351872 /nfs/dbraw/zinc/35/18/72/211351872.db2.gz XPYAHWQXVQSKHJ-UHFFFAOYSA-N 0 0 330.409 2.081 50 30 EEEARN N#Cc1c[nH]nc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012321235 211345785 /nfs/dbraw/zinc/34/57/85/211345785.db2.gz NUBKCIVPXUXINA-UHFFFAOYSA-N 0 0 345.362 2.126 50 30 EEEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1n[nH]c(CC)n1 ZINC000011714158 211240382 /nfs/dbraw/zinc/24/03/82/211240382.db2.gz XIOMYNNXCNXFQX-UHFFFAOYSA-N 0 0 337.430 2.351 50 30 EEEARN CC(C)(C1=CC(=O)c2ccccc2C1=O)C1OCC(C)(CO)CO1 ZINC000008816140 211009125 /nfs/dbraw/zinc/00/91/25/211009125.db2.gz RFFDGRYUXYVYMV-UHFFFAOYSA-N 0 0 330.380 2.390 50 30 EEEARN C=CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000005092301 210388729 /nfs/dbraw/zinc/38/87/29/210388729.db2.gz QISOJEYWVZSJIY-SDNWHVSQSA-N 0 0 341.323 2.261 50 30 EEEARN N=C(NOS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000005059910 210378925 /nfs/dbraw/zinc/37/89/25/210378925.db2.gz KJOOYTZMKNYQID-UHFFFAOYSA-N 0 0 346.195 2.414 50 30 EEEARN C=C(C)CN(C)c1ccc(C(=O)N(CC)Cc2nccn2C)cn1 ZINC000012304809 258017255 /nfs/dbraw/zinc/01/72/55/258017255.db2.gz OIOSVDURGQIXFT-UHFFFAOYSA-N 0 0 327.432 2.490 50 30 EEEARN C#CCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000008883715 275383120 /nfs/dbraw/zinc/38/31/20/275383120.db2.gz IJSQMKVTNOIPCG-UHFFFAOYSA-N 0 0 328.441 2.274 50 30 EEEARN CCN1C(C(=O)c2ccccc2)=C(N)c2ccccc2S1(=O)=O ZINC000001410044 279254220 /nfs/dbraw/zinc/25/42/20/279254220.db2.gz AKMLXHSPGXFFAD-UHFFFAOYSA-N 0 0 328.393 2.221 50 30 EEEARN CCc1cc(N2CCC[C@@H]2C(N)=O)n2c3ccccc3nc2c1C#N ZINC000009319443 281384314 /nfs/dbraw/zinc/38/43/14/281384314.db2.gz LJBKCDYMLAWOFD-MRXNPFEDSA-N 0 0 333.395 2.376 50 30 EEEARN Cc1csc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)n1 ZINC000017123097 281736226 /nfs/dbraw/zinc/73/62/26/281736226.db2.gz VTPVMFHSLKTBNP-UHFFFAOYSA-N 0 0 330.398 2.350 50 30 EEEARN N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2sccc2N)cc1 ZINC000223935695 294935473 /nfs/dbraw/zinc/93/54/73/294935473.db2.gz IBKUJWXPSQRPJS-HUUCEWRRSA-N 0 0 343.408 2.168 50 30 EEEARN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000001430788 295020560 /nfs/dbraw/zinc/02/05/60/295020560.db2.gz NSIQVASPKPPKFK-NSHDSACASA-N 0 0 331.368 2.323 50 30 EEEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000000087820 462541785 /nfs/dbraw/zinc/54/17/85/462541785.db2.gz SLJSYCVEWCUTDY-ZDUSSCGKSA-N 0 0 343.342 2.228 50 30 EEEARN COc1cc(OC)cc(C(=O)ON2C(=O)c3ccccc3C2=O)c1 ZINC000000099315 462541819 /nfs/dbraw/zinc/54/18/19/462541819.db2.gz PWUZPRNDEWYXGF-UHFFFAOYSA-N 0 0 327.292 2.072 50 30 EEEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000000079051 462541207 /nfs/dbraw/zinc/54/12/07/462541207.db2.gz FKXMLLYKADPKNS-GFCCVEGCSA-N 0 0 340.408 2.451 50 30 EEEARN C=C[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 ZINC000000390103 462559250 /nfs/dbraw/zinc/55/92/50/462559250.db2.gz QSRVJEVXKKHSJD-NSHDSACASA-N 0 0 342.424 2.138 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000001140266 462577518 /nfs/dbraw/zinc/57/75/18/462577518.db2.gz UUAQICBBSJUKLL-UKTHLTGXSA-N 0 0 333.365 2.382 50 30 EEEARN O=C(CC1=[N+]([O-])[C@@H]2CCCC[C@@H]2N(O)C1=O)c1ccc(Cl)cc1 ZINC000001406010 462581193 /nfs/dbraw/zinc/58/11/93/462581193.db2.gz NFWXVEMFRLRWKR-OLZOCXBDSA-N 0 0 336.775 2.407 50 30 EEEARN O=c1[nH]c2ccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH]1 ZINC000001439218 462582974 /nfs/dbraw/zinc/58/29/74/462582974.db2.gz XWFMODBBOXXPDY-OMCISZLKSA-N 0 0 326.268 2.244 50 30 EEEARN O=S(=O)(N/N=C/c1ccc[nH]1)c1ccc(Br)cc1 ZINC000003145458 462611541 /nfs/dbraw/zinc/61/15/41/462611541.db2.gz HZHGVQHQBGZMDU-RIYZIHGNSA-N 0 0 328.191 2.090 50 30 EEEARN COc1ccc2oc(C(=O)OCC(=O)N(C)CCC#N)c(C)c2c1 ZINC000003282034 462614769 /nfs/dbraw/zinc/61/47/69/462614769.db2.gz SXSFIAQDIJBRFB-UHFFFAOYSA-N 0 0 330.340 2.279 50 30 EEEARN C=C[C@@]1(O)C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000003869271 462625417 /nfs/dbraw/zinc/62/54/17/462625417.db2.gz BSRUJCFCZKMFMB-LGWHJFRWSA-N 0 0 340.423 2.288 50 30 in-vitro EEEARN C#CCOC(=O)Cn1c(=O)sc2cc(Br)ccc21 ZINC000005494274 462660820 /nfs/dbraw/zinc/66/08/20/462660820.db2.gz HHDSPNVCXQFYNB-UHFFFAOYSA-N 0 0 326.171 2.002 50 30 EEEARN Cc1cc(OS(C)(=O)=O)cc2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000006662751 462694964 /nfs/dbraw/zinc/69/49/64/462694964.db2.gz JDTVDEVPXJFQAZ-AUWJEWJLSA-N 0 0 331.349 2.345 50 30 EEEARN N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1 ZINC000014136845 462912828 /nfs/dbraw/zinc/91/28/28/462912828.db2.gz NBZLTLLQPYLMFX-UHFFFAOYSA-N 0 0 347.465 2.126 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccccc1F ZINC000018123433 463006791 /nfs/dbraw/zinc/00/67/91/463006791.db2.gz MVHVLCYUYZPBIM-UHFFFAOYSA-N 0 0 341.386 2.294 50 30 EEEARN COc1ccc(OC)c2c1CN(c1nnc(C)c(C)c1C#N)C[C@H]2O ZINC000024054948 463076305 /nfs/dbraw/zinc/07/63/05/463076305.db2.gz RXHKRYSQOZFVQA-CQSZACIVSA-N 0 0 340.383 2.036 50 30 EEEARN O=C(C[S@@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1)NO ZINC000141442304 463352099 /nfs/dbraw/zinc/35/20/99/463352099.db2.gz VKGUUSVYPXTWMA-QFIPXVFZSA-N 0 0 325.336 2.308 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000103717383 463405857 /nfs/dbraw/zinc/40/58/57/463405857.db2.gz LHMUNEAAOUIBGO-AWEZNQCLSA-N 0 0 349.325 2.368 50 30 EEEARN C=CCc1cc(-c2nccn2C[C@H]2COCCO2)cc(OC)c1O ZINC000071754382 463422060 /nfs/dbraw/zinc/42/20/60/463422060.db2.gz JFOFPAZLPKYMAL-HNNXBMFYSA-N 0 0 330.384 2.408 50 30 EEEARN C#CCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1cnccn1 ZINC000038875749 463448835 /nfs/dbraw/zinc/44/88/35/463448835.db2.gz KKMFEFZACQBREO-HMMYKYKNSA-N 0 0 330.319 2.145 50 30 EEEARN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000106152901 463505007 /nfs/dbraw/zinc/50/50/07/463505007.db2.gz YRGAGXWGSYPXGP-RVKKMQEKSA-N 0 0 327.428 2.272 50 30 EEEARN CC(C)Cn1nnnc1S[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000030397314 519548891 /nfs/dbraw/zinc/54/88/91/519548891.db2.gz IGBLLGIQDOCSEG-LBPRGKRZSA-N 0 0 336.465 2.152 50 30 EEEARN CCOCCOC(=NC(=O)c1ccc(C)cc1)NC[C@@H]1CCCO1 ZINC000004874721 519972172 /nfs/dbraw/zinc/97/21/72/519972172.db2.gz JABWFUUGTJRXFM-INIZCTEOSA-N 0 0 334.416 2.313 50 30 EEEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)OCC)cc1 ZINC000003496449 1202529588 /nfs/dbraw/zinc/52/95/88/1202529588.db2.gz AYBQPXGIXHMLEC-JXMROGBWSA-N 0 0 333.340 2.081 50 30 EEEARN CC(Nc1ccc(S(N)(=O)=O)cc1)=C1C(=O)c2ccccc2C1=O ZINC000100556366 219102029 /nfs/dbraw/zinc/10/20/29/219102029.db2.gz ZKAVHJVHTCAARN-UHFFFAOYSA-N 0 0 342.376 2.099 50 30 EEEARN N#Cc1c(F)cccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000032923524 212872709 /nfs/dbraw/zinc/87/27/09/212872709.db2.gz PLOCUQAMQYDYJG-UHFFFAOYSA-N 0 0 327.319 2.327 50 30 EEEARN N#Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000027989521 212592994 /nfs/dbraw/zinc/59/29/94/212592994.db2.gz LHDZEHJUPWMLBW-UHFFFAOYSA-N 0 0 333.347 2.460 50 30 EEEARN N#Cc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1 ZINC000022765875 212321888 /nfs/dbraw/zinc/32/18/88/212321888.db2.gz FIAXAPFMWZJQGK-QGZVFWFLSA-N 0 0 341.436 2.423 50 30 EEEARN N#Cc1cccnc1N1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000223745422 241686931 /nfs/dbraw/zinc/68/69/31/241686931.db2.gz UKJMHPCGVSTGLI-SFHVURJKSA-N 0 0 348.406 2.042 50 30 EEEARN CC1(C)Cc2c(C#N)c(OCC(N)=O)nc(-c3ccccc3)c2CO1 ZINC000012324583 211347525 /nfs/dbraw/zinc/34/75/25/211347525.db2.gz QKKYCSWQCYSKSG-UHFFFAOYSA-N 0 0 337.379 2.336 50 30 EEEARN CSCCC(=O)N1C[C@H](Nc2ccc(C#N)cn2)[C@@H](C2CC2)C1 ZINC000091768819 218062151 /nfs/dbraw/zinc/06/21/51/218062151.db2.gz TVTCYANGTRDAAQ-CABCVRRESA-N 0 0 330.457 2.355 50 30 EEEARN CC(C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000011327169 211211758 /nfs/dbraw/zinc/21/17/58/211211758.db2.gz ZWYNHHHKEZROLS-UHFFFAOYSA-N 0 0 344.392 2.464 50 30 EEEARN CS(=O)(=O)Nc1cccc(C(=O)OCc2cc(C#N)ccc2F)c1 ZINC000011387315 211214611 /nfs/dbraw/zinc/21/46/11/211214611.db2.gz AJFAOUXLNGQMLB-UHFFFAOYSA-N 0 0 348.355 2.426 50 30 EEEARN Cn1c(CCC(=O)OCc2ccccc2C#N)nc2ccccc2c1=O ZINC000007269184 210776888 /nfs/dbraw/zinc/77/68/88/210776888.db2.gz IRDGKSYNJPMULV-UHFFFAOYSA-N 0 0 347.374 2.481 50 30 EEEARN CCOc1ccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)cc1 ZINC000007204445 210768690 /nfs/dbraw/zinc/76/86/90/210768690.db2.gz GEEDAKKYLIKHFO-JTQLQIEISA-N 0 0 343.412 2.448 50 30 EEEARN COc1ccc(CNC(=O)CSc2ncccc2C#N)cc1OC ZINC000007051758 208575817 /nfs/dbraw/zinc/57/58/17/208575817.db2.gz PHQOERFBVQVSPA-UHFFFAOYSA-N 0 0 343.408 2.379 50 30 EEEARN CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1ccc(C#N)nc1 ZINC000299775607 258086004 /nfs/dbraw/zinc/08/60/04/258086004.db2.gz LATHHEVYBGFLGH-CYBMUJFWSA-N 0 0 341.415 2.208 50 30 EEEARN N#Cc1ccc(COC(=O)CN2c3ccccc3OCCC2=O)cc1 ZINC000006585159 264025050 /nfs/dbraw/zinc/02/50/50/264025050.db2.gz FZALNIORBRUXEY-UHFFFAOYSA-N 0 0 336.347 2.417 50 30 EEEARN CC1(C#N)CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 ZINC000095521022 273578501 /nfs/dbraw/zinc/57/85/01/273578501.db2.gz DLRDXKKLNXSCNF-UHFFFAOYSA-N 0 0 336.395 2.383 50 30 EEEARN CC/N=C1\S/C(=C2/c3ccccc3N(C(C)=O)C2=O)C(=O)N1CC ZINC000012732520 273578530 /nfs/dbraw/zinc/57/85/30/273578530.db2.gz ROINWVKWMJGHFN-ZHBRIHKXSA-N 0 0 343.408 2.262 50 30 EEEARN COc1ccc(OC)c([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)c1 ZINC000000067017 295178410 /nfs/dbraw/zinc/17/84/10/295178410.db2.gz OZVIGXKOKGWXNH-MRXNPFEDSA-N 0 0 326.356 2.317 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000000546368 462570587 /nfs/dbraw/zinc/57/05/87/462570587.db2.gz TZATVPBHQRGROM-AWEZNQCLSA-N 0 0 329.352 2.159 50 30 EEEARN C=CCN1C(=S)N(c2ccc(CC)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000001064005 462576533 /nfs/dbraw/zinc/57/65/33/462576533.db2.gz FVXIXCWTNABXHN-GJZGRUSLSA-N 0 0 336.482 2.008 50 30 EEEARN COc1cccc(C=NN2C(=S)N=NC2c2cccnc2)c1O ZINC000001302304 462578965 /nfs/dbraw/zinc/57/89/65/462578965.db2.gz DNSHYVDZUXICDI-RQZCQDPDSA-N 0 0 327.369 2.225 50 30 EEEARN Nc1nc2ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc2s1 ZINC000002270673 462590865 /nfs/dbraw/zinc/59/08/65/462590865.db2.gz QYABSPYMXNNFRD-UHFFFAOYSA-N 0 0 344.311 2.484 50 30 EEEARN COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 ZINC000002503039 462594237 /nfs/dbraw/zinc/59/42/37/462594237.db2.gz UYZAFFJHUDOOAW-OAHLLOKOSA-N 0 0 341.371 2.424 50 30 EEEARN C=CCn1c(SCC(=O)NC(=O)NC)nnc1C1CCCCC1 ZINC000003485617 462621237 /nfs/dbraw/zinc/62/12/37/462621237.db2.gz MWSLFYGULOFLQE-UHFFFAOYSA-N 0 0 337.449 2.060 50 30 EEEARN C=CCOc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 ZINC000004064669 462627908 /nfs/dbraw/zinc/62/79/08/462627908.db2.gz SPHHOWLSFQWFJE-IHPCNDPISA-N 0 0 344.455 2.405 50 30 biogenic EEEARN C=CC[NH2+][C@@H](CC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000005258463 462652279 /nfs/dbraw/zinc/65/22/79/462652279.db2.gz AGWGALYWLUXGMZ-NSHDSACASA-N 0 0 327.178 2.007 50 30 EEEARN N#Cc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000006465305 462687317 /nfs/dbraw/zinc/68/73/17/462687317.db2.gz AIXYCJHLXUYONR-UHFFFAOYSA-N 0 0 341.323 2.228 50 30 EEEARN CC#CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012054240 462841931 /nfs/dbraw/zinc/84/19/31/462841931.db2.gz IOARRXQMFDMCSI-HNNXBMFYSA-N 0 0 330.403 2.484 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 ZINC000091364884 462875057 /nfs/dbraw/zinc/87/50/57/462875057.db2.gz DQNPRLXSEWYUIN-LJQANCHMSA-N 0 0 334.435 2.435 50 30 EEEARN C=CCNC(=S)N/N=C\c1cc(Br)c(O)c(OC)c1 ZINC000016195005 462971455 /nfs/dbraw/zinc/97/14/55/462971455.db2.gz CAAHWNCPXOWYLT-CHHVJCJISA-N 0 0 344.234 2.147 50 30 EEEARN C=CCn1c(SCC(=O)OC)nnc1-c1cccc(N(C)C)c1 ZINC000017068415 462993990 /nfs/dbraw/zinc/99/39/90/462993990.db2.gz BJAUSBREZDLMHB-UHFFFAOYSA-N 0 0 332.429 2.462 50 30 EEEARN CCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 ZINC000032568405 463382166 /nfs/dbraw/zinc/38/21/66/463382166.db2.gz FYOAZHYGNLCBHN-YVLHZVERSA-N 0 0 332.381 2.290 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032859963 463399237 /nfs/dbraw/zinc/39/92/37/463399237.db2.gz YWRWZDLLEIFHSZ-CQSZACIVSA-N 0 0 330.356 2.351 50 30 EEEARN CC[C@@H]1CCc2nc(N)c(C#N)c(-c3cn(CCO)nc3C)c2C1 ZINC000071764264 463423097 /nfs/dbraw/zinc/42/30/97/463423097.db2.gz PQKPAPSJNXBWBU-GFCCVEGCSA-N 0 0 325.416 2.215 50 30 EEEARN C[C@@H]1CN([C@H](CNc2nccnc2C#N)c2cccs2)CCO1 ZINC000106906157 463548509 /nfs/dbraw/zinc/54/85/09/463548509.db2.gz WTZNWNWUWYIYRC-TZMCWYRMSA-N 0 0 329.429 2.284 50 30 EEEARN Cc1cc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc(C2CC2)n1 ZINC000108458958 463604621 /nfs/dbraw/zinc/60/46/21/463604621.db2.gz KFQBBZAGPHIXRZ-CYBMUJFWSA-N 0 0 335.415 2.039 50 30 EEEARN Cc1onc(CC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c1C#N ZINC000331828370 466261931 /nfs/dbraw/zinc/26/19/31/466261931.db2.gz JFRFGOYCOYEYDC-LBPRGKRZSA-N 0 0 344.440 2.364 50 30 EEEARN C#C[C@@](C)(CC)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000001425905 518352468 /nfs/dbraw/zinc/35/24/68/518352468.db2.gz MJPFXEQJIYVCBR-HNNXBMFYSA-N 0 0 349.847 2.326 50 30 EEEARN C=C(C)COc1ccc(C(=O)NC[C@@H](CC)N2CCOCC2)cc1 ZINC000055224704 518613260 /nfs/dbraw/zinc/61/32/60/518613260.db2.gz ABXKUEIUPHISRR-QGZVFWFLSA-N 0 0 332.444 2.482 50 30 EEEARN C=CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012747763 518925359 /nfs/dbraw/zinc/92/53/59/518925359.db2.gz QAGCGXNTHXWISQ-ZDUSSCGKSA-N 0 0 339.395 2.209 50 30 EEEARN COc1ccc(NC(=O)ONC(=N)[C@H]2COc3ccccc3O2)cc1 ZINC000004361894 524580982 /nfs/dbraw/zinc/58/09/82/524580982.db2.gz SMSXEIINTFMKSW-OAHLLOKOSA-N 0 0 343.339 2.356 50 30 EEEARN N#Cc1ccc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)cn1 ZINC000952973807 796116290 /nfs/dbraw/zinc/11/62/90/796116290.db2.gz HUZKNBWBCPLZJB-UHFFFAOYSA-N 0 0 348.366 2.388 50 30 EEEARN O=S(=O)(Oc1ccc(C=Nc2nc[nH]n2)cc1)c1ccccc1 ZINC000004616499 210231817 /nfs/dbraw/zinc/23/18/17/210231817.db2.gz OZLXKGDDACKGIW-MHWRWJLKSA-N 0 0 328.353 2.323 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C ZINC000101144937 219118086 /nfs/dbraw/zinc/11/80/86/219118086.db2.gz QTQAXYDCNKGTPR-FWLQQBITSA-N 0 0 346.339 2.248 50 30 EEEARN N=C(NOC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000004351288 210177549 /nfs/dbraw/zinc/17/75/49/210177549.db2.gz IKEHHWPWWIWUDL-UHFFFAOYSA-N 0 0 341.249 2.244 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2ccccc2)n1 ZINC000103717477 219320968 /nfs/dbraw/zinc/32/09/68/219320968.db2.gz WLTOXFQLBUUGJS-AWEZNQCLSA-N 0 0 331.335 2.228 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1 ZINC000033027381 212890325 /nfs/dbraw/zinc/89/03/25/212890325.db2.gz ONFSCRGSYGPDMK-UHFFFAOYSA-N 0 0 333.351 2.057 50 30 EEEARN CN(CCC#N)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000031637390 212741208 /nfs/dbraw/zinc/74/12/08/212741208.db2.gz KJPIWKHLIMMPQQ-UHFFFAOYSA-N 0 0 339.182 2.075 50 30 EEEARN COc1ccccc1N1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000072411250 216203972 /nfs/dbraw/zinc/20/39/72/216203972.db2.gz STYJYIPIAWSTIG-AWEZNQCLSA-N 0 0 336.395 2.313 50 30 EEEARN COC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2C#N)cc1 ZINC000022455786 212298715 /nfs/dbraw/zinc/29/87/15/212298715.db2.gz OOZLRUMWSRSYBA-UHFFFAOYSA-N 0 0 331.349 2.041 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1 ZINC000012420995 211375127 /nfs/dbraw/zinc/37/51/27/211375127.db2.gz ODYWLBWFJUGMHE-UHFFFAOYSA-N 0 0 346.412 2.064 50 30 EEEARN C=CCc1cc(-c2cn(CCN3CCOCC3)nn2)ccc1OC ZINC000091644512 218037933 /nfs/dbraw/zinc/03/79/33/218037933.db2.gz KLQKEDFDHNYIGX-UHFFFAOYSA-N 0 0 328.416 2.014 50 30 EEEARN C[C@H](c1nn[nH]n1)n1cc(-c2ccccc2C#Cc2ccccc2)nn1 ZINC000091770266 218063104 /nfs/dbraw/zinc/06/31/04/218063104.db2.gz AGOQJXJHSGSNLM-CQSZACIVSA-N 0 0 341.378 2.467 50 30 EEEARN CS(=O)(=O)c1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1 ZINC000011318763 211212499 /nfs/dbraw/zinc/21/24/99/211212499.db2.gz JYLRHXBGCQVOGK-UHFFFAOYSA-N 0 0 345.376 2.198 50 30 EEEARN COc1nccc(N2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1C#N ZINC000091932229 218090171 /nfs/dbraw/zinc/09/01/71/218090171.db2.gz ZSYLNGGLOJUNJW-LJQANCHMSA-N 0 0 340.427 2.191 50 30 EEEARN Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NC1(C#N)CCCCC1 ZINC000011037667 211201775 /nfs/dbraw/zinc/20/17/75/211201775.db2.gz YHLMOHPQINQFHB-UHFFFAOYSA-N 0 0 349.456 2.153 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004851800 210300346 /nfs/dbraw/zinc/30/03/46/210300346.db2.gz LBFROITUFGMIMA-HNNXBMFYSA-N 0 0 339.307 2.479 50 30 EEEARN C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000004837294 210293507 /nfs/dbraw/zinc/29/35/07/210293507.db2.gz JCIQROIKDWGLSM-SDNWHVSQSA-N 0 0 341.323 2.261 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 ZINC000091620614 258014935 /nfs/dbraw/zinc/01/49/35/258014935.db2.gz JXBHSCHRDAGRFS-HXUWFJFHSA-N 0 0 342.439 2.210 50 30 EEEARN COc1ccc(F)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000031080994 264001864 /nfs/dbraw/zinc/00/18/64/264001864.db2.gz YUSWNTQAOYVXJX-UHFFFAOYSA-N 0 0 340.358 2.063 50 30 EEEARN O=C1C=CC(=NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C=C1 ZINC000004134575 275016656 /nfs/dbraw/zinc/01/66/56/275016656.db2.gz OMGXNXJJONDDHN-UHFFFAOYSA-N 0 0 326.717 2.073 50 30 EEEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000000299943 462553515 /nfs/dbraw/zinc/55/35/15/462553515.db2.gz OZIVDVLMBBNGJV-HXUWFJFHSA-N 0 0 335.359 2.136 50 30 EEEARN C=CCn1c(Cc2ccc(OCC)cc2)nnc1SCC(N)=O ZINC000002861552 462605323 /nfs/dbraw/zinc/60/53/23/462605323.db2.gz CWMLLNPJRQCYDR-UHFFFAOYSA-N 0 0 332.429 2.031 50 30 EEEARN Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(c2ccccn2)CC1 ZINC000003116852 462611469 /nfs/dbraw/zinc/61/14/69/462611469.db2.gz RFGHURDMUJCLHK-UHFFFAOYSA-N 0 0 336.321 2.032 50 30 EEEARN COCCOC(=NC(=O)c1ccccc1F)NCc1ccccn1 ZINC000004417349 462631500 /nfs/dbraw/zinc/63/15/00/462631500.db2.gz CKLVDOXQAJITIX-UHFFFAOYSA-N 0 0 331.347 2.170 50 30 EEEARN Cc1cc(N=NC(C)c2ccc(O)cc2)nc(N2CCOCC2)n1 ZINC000004812618 462638399 /nfs/dbraw/zinc/63/83/99/462638399.db2.gz SYFWSMLXBMIHNL-MOSHPQCFSA-N 0 0 327.388 2.163 50 30 EEEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc([N+](=O)[O-])cc1 ZINC000005009269 462643270 /nfs/dbraw/zinc/64/32/70/462643270.db2.gz DLWFVQFXXUXTBW-UHFFFAOYSA-N 0 0 335.323 2.188 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000005853605 462671086 /nfs/dbraw/zinc/67/10/86/462671086.db2.gz ZUGMGVJZIZVRCF-HNNXBMFYSA-N 0 0 348.424 2.226 50 30 EEEARN N#Cc1c(N)n[nH]c1CCCCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000006909133 462711249 /nfs/dbraw/zinc/71/12/49/462711249.db2.gz VYHANCACTRPHEX-UHFFFAOYSA-N 0 0 339.359 2.468 50 30 EEEARN Cc1nn(CC(=O)N(C2=CCCCC2)C2CC2)c(=O)c(C#N)c1C ZINC000007385202 462733787 /nfs/dbraw/zinc/73/37/87/462733787.db2.gz DYLZEOWNQHCBHJ-UHFFFAOYSA-N 0 0 326.400 2.181 50 30 EEEARN C#CCNC(=O)CSc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000008720487 462793595 /nfs/dbraw/zinc/79/35/95/462793595.db2.gz HQQURZPLWJKYSK-UHFFFAOYSA-N 0 0 346.481 2.384 50 30 EEEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1CO ZINC000118566828 462839804 /nfs/dbraw/zinc/83/98/04/462839804.db2.gz RSDICEAXPOJRDL-AWEZNQCLSA-N 0 0 326.318 2.223 50 30 EEEARN C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2OC)C1=O ZINC000013939728 462906091 /nfs/dbraw/zinc/90/60/91/462906091.db2.gz OGFYOSPAKOYIGY-ZSOIEALJSA-N 0 0 333.365 2.382 50 30 EEEARN C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000077424336 462983454 /nfs/dbraw/zinc/98/34/54/462983454.db2.gz QUQBHMGNABAXNN-GFCCVEGCSA-N 0 0 349.394 2.036 50 30 EEEARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1 ZINC000024528724 463089330 /nfs/dbraw/zinc/08/93/30/463089330.db2.gz MRCCNFAVDLKJIG-ZDUSSCGKSA-N 0 0 349.394 2.153 50 30 EEEARN C#CCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccn(C)n1 ZINC000101069160 463376886 /nfs/dbraw/zinc/37/68/86/463376886.db2.gz WMBSAVOFRUXJFM-ICFOKQHNSA-N 0 0 330.800 2.464 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000003342569 519807717 /nfs/dbraw/zinc/80/77/17/519807717.db2.gz KRXKYWVWZWWBTG-MRXNPFEDSA-N 0 0 344.444 2.024 50 30 EEEARN CCCCCOc1ccc(C=NNc2cnnc(=O)[nH]2)cc1OC ZINC000003947303 520251006 /nfs/dbraw/zinc/25/10/06/520251006.db2.gz ULASPUTYCWOUFF-LICLKQGHSA-N 0 0 331.376 2.189 50 30 EEEARN COc1ccc(NC(C)=O)cc1NCC(=O)NC1(C#N)CCCCC1 ZINC000011620473 524672387 /nfs/dbraw/zinc/67/23/87/524672387.db2.gz RYOSZRHPCZVZAL-UHFFFAOYSA-N 0 0 344.415 2.408 50 30 EEEARN CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C#N)ccn2)cc1 ZINC000426428754 535173203 /nfs/dbraw/zinc/17/32/03/535173203.db2.gz JSCGWSOHCSKBCN-SFHVURJKSA-N 0 0 348.406 2.217 50 30 EEEARN Cn1cc(C#N)cc1C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC001772712686 1179308477 /nfs/dbraw/zinc/30/84/77/1179308477.db2.gz ZANMDSFEOFWWGT-UHFFFAOYSA-N 0 0 342.443 2.152 50 30 EEEARN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000103435038 1204572227 /nfs/dbraw/zinc/57/22/27/1204572227.db2.gz NTMHAHDWGZYJHZ-WAYWQWQTSA-N 0 0 338.367 2.379 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000004176894 210140601 /nfs/dbraw/zinc/14/06/01/210140601.db2.gz SSIRGKPRORJMER-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN COc1ccc(CCNC(C)=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000102448901 219203661 /nfs/dbraw/zinc/20/36/61/219203661.db2.gz XOTNEJHREATNEA-ATVHPVEESA-N 0 0 331.368 2.140 50 30 EEEARN C=CCNC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000003319348 210005916 /nfs/dbraw/zinc/00/59/16/210005916.db2.gz SLAGFVVVXUEMDK-UHFFFAOYSA-N 0 0 342.351 2.299 50 30 EEEARN Cc1nnc([C@@]23COC[C@@H]2CN(c2cccc(Cl)c2C#N)C3)o1 ZINC000685942947 539990438 /nfs/dbraw/zinc/99/04/38/539990438.db2.gz YCZGEIVVNQCRRX-ZBEGNZNMSA-N 0 0 330.775 2.308 50 30 EEEARN CCc1cc(N2CCN(Cc3ccccc3C#N)CC2)n2nccc2n1 ZINC000072418302 216206053 /nfs/dbraw/zinc/20/60/53/216206053.db2.gz NMNPGYQENASYCH-UHFFFAOYSA-N 0 0 346.438 2.486 50 30 EEEARN N#Cc1ccc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)cn1 ZINC000219430800 241385088 /nfs/dbraw/zinc/38/50/88/241385088.db2.gz QQZNSOAOBLOXOU-RDGPPVDQSA-N 0 0 333.391 2.329 50 30 EEEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)n[nH]c2C)C1=O ZINC000000565345 371232778 /nfs/dbraw/zinc/23/27/78/371232778.db2.gz XSRVNHCPDFJRHP-SFHVURJKSA-N 0 0 325.368 2.020 50 30 EEEARN N#Cc1ccc(CCC(=O)OCc2nnnn2-c2ccccc2)cc1 ZINC000012959115 211492744 /nfs/dbraw/zinc/49/27/44/211492744.db2.gz PRCCOKACKMTTDO-UHFFFAOYSA-N 0 0 333.351 2.210 50 30 EEEARN CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000091645753 218038911 /nfs/dbraw/zinc/03/89/11/218038911.db2.gz MBJXLJYJONMEKA-OAHLLOKOSA-N 0 0 344.440 2.343 50 30 EEEARN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000010515440 211179077 /nfs/dbraw/zinc/17/90/77/211179077.db2.gz XLRMMPMLBYEKPS-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN C=CCn1c(=O)c2ccccc2nc1NN=C1c2ccccc2NC1=O ZINC000005382834 210453573 /nfs/dbraw/zinc/45/35/73/210453573.db2.gz PJKXXQQNDUYXJS-UHFFFAOYSA-N 0 0 345.362 2.351 50 30 EEEARN COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)cc1 ZINC000012880003 258001924 /nfs/dbraw/zinc/00/19/24/258001924.db2.gz DIEXVYMOMLQSEX-SXGWCWSVSA-N 0 0 339.347 2.484 50 30 biogenic EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F ZINC000102798795 258069533 /nfs/dbraw/zinc/06/95/33/258069533.db2.gz BZBJEPNZBGTPJF-IDTYTIONSA-N 0 0 345.326 2.487 50 30 EEEARN CC(C)(C)c1nn2cnnc2n(/N=C/c2ccccc2Cl)c1=O ZINC000000093411 275541145 /nfs/dbraw/zinc/54/11/45/275541145.db2.gz YDDJOERWDOOXKY-QGMBQPNBSA-N 0 0 330.779 2.119 50 30 EEEARN CC(C)c1n[nH]c2c1CN(C(=O)c1ccc(C#CC(C)(C)O)o1)CC2 ZINC000067956451 276064555 /nfs/dbraw/zinc/06/45/55/276064555.db2.gz ZIUCRZJLEBHWNK-UHFFFAOYSA-N 0 0 341.411 2.447 50 30 EEEARN CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1N1CCOCC1 ZINC000019770520 277327252 /nfs/dbraw/zinc/32/72/52/277327252.db2.gz FQFOANNTVMYKIM-KRWDZBQOSA-N 0 0 332.356 2.254 50 30 EEEARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1cccc(C(F)(F)F)c1 ZINC000334157997 465040718 /nfs/dbraw/zinc/04/07/18/465040718.db2.gz GZZFBDQOIJHXCT-ZJUUUORDSA-P 0 0 337.368 2.123 50 30 EEEARN COc1ccc(O)c(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)c1 ZINC000000501417 462567788 /nfs/dbraw/zinc/56/77/88/462567788.db2.gz ZEKWAKMMSLTASH-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000535315 462569418 /nfs/dbraw/zinc/56/94/18/462569418.db2.gz QIQIBGPRJOSTGG-HNNXBMFYSA-N 0 0 339.307 2.479 50 30 EEEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccccc2O)c1=O ZINC000000526558 462569499 /nfs/dbraw/zinc/56/94/99/462569499.db2.gz CURCDZJVPMRCRF-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN C#CC(C)(C)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000002191837 462589746 /nfs/dbraw/zinc/58/97/46/462589746.db2.gz LIGMMYQCVZIJQP-UHFFFAOYSA-N 0 0 326.396 2.371 50 30 EEEARN O=S(=O)(ON1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000005073386 462644807 /nfs/dbraw/zinc/64/48/07/462644807.db2.gz CKWMYBMYJVUCMK-UHFFFAOYSA-N 0 0 335.225 2.486 50 30 EEEARN N=C(NOC(=O)c1ccccc1)c1ccc(CN2CCOCC2)cc1 ZINC000064038094 462685810 /nfs/dbraw/zinc/68/58/10/462685810.db2.gz GWYURXGMEYCYPZ-UHFFFAOYSA-N 0 0 339.395 2.206 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cn(C)c2ccccc12 ZINC000006589973 462692340 /nfs/dbraw/zinc/69/23/40/462692340.db2.gz PSORKKDJNORQRR-SFHVURJKSA-N 0 0 327.384 2.390 50 30 EEEARN C=CCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C ZINC000006743457 462702204 /nfs/dbraw/zinc/70/22/04/462702204.db2.gz MCOWUZXMKXMUQD-UHFFFAOYSA-N 0 0 336.457 2.331 50 30 EEEARN N#Cc1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 ZINC000007250030 462726919 /nfs/dbraw/zinc/72/69/19/462726919.db2.gz YARUWWLPINBJQT-UHFFFAOYSA-N 0 0 326.337 2.075 50 30 EEEARN CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000007386336 462733683 /nfs/dbraw/zinc/73/36/83/462733683.db2.gz DZBOBVWYQFRUEW-ZDUSSCGKSA-N 0 0 329.400 2.160 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 ZINC000008743094 462794995 /nfs/dbraw/zinc/79/49/95/462794995.db2.gz BTVHMVLPZJNJGR-HNNXBMFYSA-N 0 0 343.335 2.210 50 30 biogenic EEEARN C#CCOc1c(I)cc(/C=N/O)cc1OC ZINC000016195344 462971826 /nfs/dbraw/zinc/97/18/26/462971826.db2.gz FZLYMGFCLKLDPD-NTUHNPAUSA-N 0 0 331.109 2.120 50 30 EEEARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(CCC#N)CC1 ZINC000020717640 463029366 /nfs/dbraw/zinc/02/93/66/463029366.db2.gz DLYDKAGWWRWNGF-QGZVFWFLSA-N 0 0 326.400 2.133 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000104257816 463410558 /nfs/dbraw/zinc/41/05/58/463410558.db2.gz MIWZZPKQMXGLNF-VSKVDJIOSA-N 0 0 328.368 2.048 50 30 EEEARN Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCCC2)n1 ZINC000044168284 463669569 /nfs/dbraw/zinc/66/95/69/463669569.db2.gz ZTMIYVHWIVFQKV-UHFFFAOYSA-N 0 0 337.383 2.274 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)CCc2ccccc2)CC1 ZINC000206601531 564003799 /nfs/dbraw/zinc/00/37/99/564003799.db2.gz QYTMGOJDQOMWKF-UHFFFAOYSA-N 0 0 349.438 2.314 50 30 EEEARN N#Cc1cccc(NC(=O)NCCc2nnc(-c3cccnc3)[nH]2)c1 ZINC000952872730 796056551 /nfs/dbraw/zinc/05/65/51/796056551.db2.gz BRALLXFFZOBAKY-UHFFFAOYSA-N 0 0 333.355 2.103 50 30 EEEARN C=CCc1cc(C(=O)N(CC=C)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000952960991 796076995 /nfs/dbraw/zinc/07/69/95/796076995.db2.gz VKHRJINCBROJGR-INIZCTEOSA-N 0 0 349.452 2.239 50 30 EEEARN C=CCc1cc(C(=O)N(CC=C)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000952960992 796077055 /nfs/dbraw/zinc/07/70/55/796077055.db2.gz VKHRJINCBROJGR-MRXNPFEDSA-N 0 0 349.452 2.239 50 30 EEEARN Cc1noc([C@H]2CCCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)n1 ZINC000952977272 796122366 /nfs/dbraw/zinc/12/23/66/796122366.db2.gz BNKVLZJVSIQTAG-CQSZACIVSA-N 0 0 343.383 2.461 50 30 EEEARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c3ccccc32)C1 ZINC000051319046 214089272 /nfs/dbraw/zinc/08/92/72/214089272.db2.gz CURSCDRYHGBJKY-AWEZNQCLSA-N 0 0 339.395 2.315 50 30 EEEARN COc1ccc2c(c1)occ(C=Nc1cc(=O)[nH]c(=S)[nH]1)c2=O ZINC000100750589 219105816 /nfs/dbraw/zinc/10/58/16/219105816.db2.gz OYHOCVJWMNVIOK-OMCISZLKSA-N 0 0 329.337 2.298 50 30 biogenic EEEARN C=CCN(Cc1nc2c(ccc(C)c2C)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000067947886 215257449 /nfs/dbraw/zinc/25/74/49/215257449.db2.gz NSHJYLVMSWOAIF-AWEZNQCLSA-N 0 0 333.457 2.355 50 30 EEEARN COc1ccc(OC)c(C=NC(=O)c2n[nH]cc2Br)c1 ZINC000103557681 219313218 /nfs/dbraw/zinc/31/32/18/219313218.db2.gz OKFFZXGJIBOLQH-GIDUJCDVSA-N 0 0 338.161 2.449 50 30 EEEARN C=C(C)CN(CC)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000024458626 212420833 /nfs/dbraw/zinc/42/08/33/212420833.db2.gz UMGXOFIPEOOASM-UHFFFAOYSA-N 0 0 340.807 2.251 50 30 EEEARN N#CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1 ZINC000024500453 212423058 /nfs/dbraw/zinc/42/30/58/212423058.db2.gz BEBFYBXMGCZXRD-UHFFFAOYSA-N 0 0 333.351 2.481 50 30 EEEARN COCCN(Cc1cccs1)S(=O)(=O)c1ccccc1C#N ZINC000024366657 212419055 /nfs/dbraw/zinc/41/90/55/212419055.db2.gz CZLZDOYTPSETJT-UHFFFAOYSA-N 0 0 336.438 2.457 50 30 EEEARN CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000426534490 241306990 /nfs/dbraw/zinc/30/69/90/241306990.db2.gz RFVGMZLYEWCJQQ-ZDUSSCGKSA-N 0 0 336.395 2.217 50 30 EEEARN C=CCN1C(=O)[C@@](NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1 ZINC000020572719 212149137 /nfs/dbraw/zinc/14/91/37/212149137.db2.gz UZENRILKORNWJA-HNNXBMFYSA-N 0 0 339.317 2.246 50 30 EEEARN N#Cc1ccccc1COC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000019476967 212031347 /nfs/dbraw/zinc/03/13/47/212031347.db2.gz NKQKNORNAOWCGV-UHFFFAOYSA-N 0 0 341.392 2.427 50 30 EEEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccccn2)c1 ZINC000016956426 211943331 /nfs/dbraw/zinc/94/33/31/211943331.db2.gz RDCVTVGOVYRBGL-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000015352882 211817287 /nfs/dbraw/zinc/81/72/87/211817287.db2.gz WFQCHESAEYDFTK-UHFFFAOYSA-N 0 0 346.408 2.412 50 30 EEEARN COc1cc(C#N)ccc1OC(=O)CCn1cnc2ccccc2c1=O ZINC000014682835 211751482 /nfs/dbraw/zinc/75/14/82/211751482.db2.gz AIKQKRBGYKJVQD-UHFFFAOYSA-N 0 0 349.346 2.272 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)/C=C/c1cccs1 ZINC000085558706 217677828 /nfs/dbraw/zinc/67/78/28/217677828.db2.gz XXCVTKKIGSWMCP-MDZDMXLPSA-N 0 0 340.404 2.059 50 30 EEEARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000004994240 210353028 /nfs/dbraw/zinc/35/30/28/210353028.db2.gz FKDOOFNXIJSGCS-ZIAGYGMSSA-N 0 0 330.384 2.270 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000097203939 218994329 /nfs/dbraw/zinc/99/43/29/218994329.db2.gz HGYIBUZIAAKNJH-NSHDSACASA-N 0 0 334.426 2.088 50 30 EEEARN COc1nccc(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)c1C#N ZINC000299760996 258078173 /nfs/dbraw/zinc/07/81/73/258078173.db2.gz QLPZFSPNADGODE-HNNXBMFYSA-N 0 0 337.379 2.226 50 30 EEEARN C=CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088515 275431891 /nfs/dbraw/zinc/43/18/91/275431891.db2.gz SQFBMYRSVACWCB-UHFFFAOYSA-N 0 0 337.261 2.319 50 30 EEEARN CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000000549129 462570199 /nfs/dbraw/zinc/57/01/99/462570199.db2.gz OQYSZKPLQMMAHR-CQSZACIVSA-N 0 0 337.759 2.188 50 30 EEEARN COc1cc(C=NN2C(=S)N=NC2c2cccnc2)ccc1O ZINC000001307005 462578889 /nfs/dbraw/zinc/57/88/89/462578889.db2.gz DZKPROZJKUMSMZ-CAOOACKPSA-N 0 0 327.369 2.225 50 30 EEEARN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000001390013 462581311 /nfs/dbraw/zinc/58/13/11/462581311.db2.gz CFDCRZVGLHNVJX-UHFFFAOYSA-N 0 0 327.409 2.069 50 30 EEEARN C=CCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001808080 462588199 /nfs/dbraw/zinc/58/81/99/462588199.db2.gz CESQTJPGKLYFRA-QGZVFWFLSA-N 0 0 334.375 2.196 50 30 EEEARN C[C@@](C#N)(NC(=O)CSc1nnc(-c2cccnc2)o1)C1CC1 ZINC000006100326 462677519 /nfs/dbraw/zinc/67/75/19/462677519.db2.gz CSWRWDJYLLNDMQ-HNNXBMFYSA-N 0 0 329.385 2.032 50 30 EEEARN CC(C)CNC(=O)C(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 ZINC000006719620 462699330 /nfs/dbraw/zinc/69/93/30/462699330.db2.gz YOYBSRLVSYLKIX-UHFFFAOYSA-N 0 0 335.429 2.182 50 30 EEEARN CCOc1ccc(C(C)=O)cc1Cn1nc(C)c(C)c(C#N)c1=O ZINC000007442037 462735773 /nfs/dbraw/zinc/73/57/73/462735773.db2.gz NOHGUAXDEWWONY-UHFFFAOYSA-N 0 0 325.368 2.381 50 30 EEEARN C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000012566877 462856873 /nfs/dbraw/zinc/85/68/73/462856873.db2.gz CYFYRUNMVOBTIB-RCBQFDQVSA-N 0 0 340.379 2.165 50 30 EEEARN COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccccc2)NC(=S)N1 ZINC000012821489 462870988 /nfs/dbraw/zinc/87/09/88/462870988.db2.gz QAXPJVWIAQRMEE-CYBMUJFWSA-N 0 0 342.376 2.108 50 30 EEEARN C#CCNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000012971716 462877960 /nfs/dbraw/zinc/87/79/60/462877960.db2.gz GICCVQVWWTYJEN-UHFFFAOYSA-N 0 0 349.312 2.440 50 30 EEEARN NC(=NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2o1 ZINC000013154522 462886572 /nfs/dbraw/zinc/88/65/72/462886572.db2.gz VFINGRIKVYFYFU-UHFFFAOYSA-N 0 0 325.284 2.303 50 30 EEEARN N#Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000014140077 462913405 /nfs/dbraw/zinc/91/34/05/462913405.db2.gz HRLKGJVLDCASBR-IBGZPJMESA-N 0 0 335.407 2.189 50 30 EEEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCc1ccccn1 ZINC000029162046 463245185 /nfs/dbraw/zinc/24/51/85/463245185.db2.gz OPUXTDOTGPACFN-ZDUSSCGKSA-N 0 0 333.351 2.417 50 30 EEEARN C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 ZINC000032106041 463365061 /nfs/dbraw/zinc/36/50/61/463365061.db2.gz NCCQLAYIILQOIZ-KRWDZBQOSA-N 0 0 342.439 2.487 50 30 EEEARN N#Cc1ccccc1CSCCNC(=O)c1ccc2n[nH]nc2c1 ZINC000032738412 463391427 /nfs/dbraw/zinc/39/14/27/463391427.db2.gz YUFDONBPZRHSNL-UHFFFAOYSA-N 0 0 337.408 2.493 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2ccc(OC)cc2)C(=O)CC1(C)C ZINC000103694443 463406063 /nfs/dbraw/zinc/40/60/63/463406063.db2.gz VBTRBPYMJUEVAN-VSKPTYQZSA-N 0 0 331.368 2.348 50 30 EEEARN COc1ccc(C2=CC3(C=C(OC)C(=O)C(OC)=C3)OC2=O)cc1 ZINC000253470626 465015195 /nfs/dbraw/zinc/01/51/95/465015195.db2.gz RUQNHNHIYQQZEB-UHFFFAOYSA-N 0 0 328.320 2.018 50 30 EEEARN C=CCN(Cc1ccccc1Cl)C(=O)CSc1nc(N)n[nH]1 ZINC000055153234 518785417 /nfs/dbraw/zinc/78/54/17/518785417.db2.gz ZSBZMIWOYKPJFL-UHFFFAOYSA-N 0 0 337.836 2.347 50 30 EEEARN COC(=O)c1sccc1N=NC(C)c1ccc(O)c(C(N)=O)c1 ZINC000055459210 522443076 /nfs/dbraw/zinc/44/30/76/522443076.db2.gz VPYIUXBNVBKCCY-CAOOACKPSA-N 0 0 333.369 2.175 50 30 EEEARN COc1ccc(F)cc1[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[C@H](O)C1 ZINC000244866340 524330464 /nfs/dbraw/zinc/33/04/64/524330464.db2.gz VUHZOWZPOAMQLH-BNLOLNQZSA-N 0 0 343.358 2.276 50 30 EEEARN CC(=O)NCCC(=O)N1/C(=N\CCc2ccccc2)SCC1(C)C ZINC000105084253 1204760184 /nfs/dbraw/zinc/76/01/84/1204760184.db2.gz VDKUNVCCJNWVKL-LVZFUZTISA-N 0 0 347.484 2.465 50 30 EEEARN C=CCN1C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000820474860 798580642 /nfs/dbraw/zinc/58/06/42/798580642.db2.gz OHLISKIIHIBWNI-GFCCVEGCSA-N 0 0 326.318 2.356 50 30 EEEARN O=C1CN(Cc2cc(C#CCO)cs2)CCN1C1CCCCC1 ZINC000828644544 800791345 /nfs/dbraw/zinc/79/13/45/800791345.db2.gz BTXZUUMJAGPVHG-UHFFFAOYSA-N 0 0 332.469 2.069 50 30 EEEARN CC(=O)Nc1ccc(S(=O)(=O)N/N=C(\C)c2cccs2)cc1 ZINC000004523321 210213907 /nfs/dbraw/zinc/21/39/07/210213907.db2.gz PHMGLFYTVFTZTL-MHWRWJLKSA-N 0 0 337.426 2.409 50 30 EEEARN COc1ccc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100354494 219097674 /nfs/dbraw/zinc/09/76/74/219097674.db2.gz GTRHPJHTRDHJEV-QGOAFFKASA-N 0 0 332.425 2.401 50 30 EEEARN CCN(CC)C(=O)C(=O)c1cccn1-c1cccc(OC)c1C#N ZINC000004054853 210108500 /nfs/dbraw/zinc/10/85/00/210108500.db2.gz OTJAOXBBXBDMEK-UHFFFAOYSA-N 0 0 325.368 2.409 50 30 EEEARN C=CCNC(=S)NC(=O)c1ccccc1I ZINC000002883684 209936516 /nfs/dbraw/zinc/93/65/16/209936516.db2.gz RFVAGFAOEAODAD-UHFFFAOYSA-N 0 0 346.193 2.082 50 30 EEEARN COc1ccc(NC(=Nc2nc(C)cc(C)n2)NC(C)=O)cc1OC ZINC000002200107 209829637 /nfs/dbraw/zinc/82/96/37/209829637.db2.gz XYJUFVCERONGDQ-UHFFFAOYSA-N 0 0 343.387 2.346 50 30 EEEARN COC(=O)c1cc(C#N)c(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc1C ZINC000072163265 216051323 /nfs/dbraw/zinc/05/13/23/216051323.db2.gz KVOUJTVVTNSTML-CYBMUJFWSA-N 0 0 344.415 2.107 50 30 EEEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/n2cnnc2)cc1 ZINC000000052153 209391378 /nfs/dbraw/zinc/39/13/78/209391378.db2.gz SPZUWGYEIPHBHM-VXLYETTFSA-N 0 0 341.396 2.270 50 30 EEEARN C=CCOc1cccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)c1OC ZINC000027018023 212544567 /nfs/dbraw/zinc/54/45/67/212544567.db2.gz CLOYBJLALUYVJM-AWEZNQCLSA-N 0 0 348.424 2.226 50 30 EEEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC2(CC1)OCCO2 ZINC000024998361 212453542 /nfs/dbraw/zinc/45/35/42/212453542.db2.gz YSTGMVZOIDNKSY-UHFFFAOYSA-N 0 0 341.367 2.230 50 30 EEEARN C=CCn1ccn(-c2ccc(Br)cc2F)c(=O)c1=O ZINC000022726081 212319539 /nfs/dbraw/zinc/31/95/39/212319539.db2.gz QAYVNWZGCOMVES-UHFFFAOYSA-N 0 0 325.137 2.087 50 30 EEEARN N#Cc1ccc(O)c(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)c1 ZINC000244778657 243079362 /nfs/dbraw/zinc/07/93/62/243079362.db2.gz PUISQNBEKOABJB-UHFFFAOYSA-N 0 0 349.390 2.268 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2cc(-c3cccnc3)no2)CC1 ZINC000244874485 243094576 /nfs/dbraw/zinc/09/45/76/243094576.db2.gz XCDHYNOAIIKEHP-UHFFFAOYSA-N 0 0 346.394 2.325 50 30 EEEARN CCN1C(C(C)=O)=C(OC(=O)C(C)C)c2ccccc2S1(=O)=O ZINC000013625410 211593828 /nfs/dbraw/zinc/59/38/28/211593828.db2.gz MMJDTBPDKYICKU-UHFFFAOYSA-N 0 0 337.397 2.168 50 30 EEEARN COc1ccccc1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000012749487 211444234 /nfs/dbraw/zinc/44/42/34/211444234.db2.gz SGNYMCDSKPRKQU-UHFFFAOYSA-N 0 0 330.409 2.229 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000012515586 211396508 /nfs/dbraw/zinc/39/65/08/211396508.db2.gz YQIOWRYVXAOEEQ-UHFFFAOYSA-N 0 0 331.397 2.107 50 30 EEEARN CCCOC[C@H]1C[C@]2(S/C(=N/c3ccc(C)cc3)NC2=O)C(=O)O1 ZINC000009350693 211072569 /nfs/dbraw/zinc/07/25/69/211072569.db2.gz VRJYEHGOYYFFMJ-CXAGYDPISA-N 0 0 348.424 2.326 50 30 EEEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2cc(C)[nH]n2)c1 ZINC000005625913 210503234 /nfs/dbraw/zinc/50/32/34/210503234.db2.gz HNKCHLYQIQWDOI-LZYBPNLTSA-N 0 0 344.400 2.165 50 30 EEEARN N#Cc1ccccc1N1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000126317348 257971833 /nfs/dbraw/zinc/97/18/33/257971833.db2.gz ICIRYKPXJKIJAY-UHFFFAOYSA-N 0 0 349.390 2.292 50 30 EEEARN N#Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000055566643 132196527 /nfs/dbraw/zinc/19/65/27/132196527.db2.gz OGUMGFWNXDAFFE-UHFFFAOYSA-N 0 0 338.386 2.458 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2ccccc2[N+](=O)[O-])C1 ZINC000012349065 280892343 /nfs/dbraw/zinc/89/23/43/280892343.db2.gz YPKJLPPOSJUKGT-AWEZNQCLSA-N 0 0 340.343 2.239 50 30 EEEARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(CCC#N)CC3)c2c1 ZINC000020728371 301872731 /nfs/dbraw/zinc/87/27/31/301872731.db2.gz OPOQIDAITHQMRU-KRWDZBQOSA-N 0 0 326.400 2.133 50 30 EEEARN NC(=S)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002549931 462595361 /nfs/dbraw/zinc/59/53/61/462595361.db2.gz AWEFVHNRALWAIQ-RQZCQDPDSA-N 0 0 330.369 2.341 50 30 EEEARN C=CCn1c(COc2cccc(Cl)c2)nnc1SCC(N)=O ZINC000001068073 462576815 /nfs/dbraw/zinc/57/68/15/462576815.db2.gz KYPJOMWOXYXPJM-UHFFFAOYSA-N 0 0 338.820 2.274 50 30 EEEARN C=CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1C1CCCCC1 ZINC000002620449 462596928 /nfs/dbraw/zinc/59/69/28/462596928.db2.gz YJXYVVWMTNFYND-SNVBAGLBSA-N 0 0 337.449 2.187 50 30 EEEARN C=CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000002961108 462607689 /nfs/dbraw/zinc/60/76/89/462607689.db2.gz RJOZRDXVKKASAD-UHFFFAOYSA-N 0 0 337.228 2.062 50 30 EEEARN COCCNC(=O)Cn1cc(C#N)c2cc(Br)ccc21 ZINC000006368322 462684117 /nfs/dbraw/zinc/68/41/17/462684117.db2.gz LIUJAVYRQPZTPM-UHFFFAOYSA-N 0 0 336.189 2.038 50 30 EEEARN CCc1ccc(-n2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)cc1 ZINC000006809468 462707049 /nfs/dbraw/zinc/70/70/49/462707049.db2.gz STWZHCDIYUFKFD-UHFFFAOYSA-N 0 0 342.358 2.433 50 30 EEEARN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000006863822 462708714 /nfs/dbraw/zinc/70/87/14/462708714.db2.gz LYJBJUIIKSFSSC-GFCCVEGCSA-N 0 0 343.770 2.281 50 30 EEEARN CN(CCCNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000007059293 462719651 /nfs/dbraw/zinc/71/96/51/462719651.db2.gz BBTAWEIMXWNYRD-UHFFFAOYSA-N 0 0 329.425 2.363 50 30 EEEARN CN(CCC#N)C(=O)CSc1nc2ccccc2c(=O)n1C1CC1 ZINC000007860138 462754415 /nfs/dbraw/zinc/75/44/15/462754415.db2.gz HSKTWTACNQNEAP-UHFFFAOYSA-N 0 0 342.424 2.196 50 30 EEEARN N#Cc1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012746070 462866078 /nfs/dbraw/zinc/86/60/78/462866078.db2.gz DLVTVBRWTFULTR-UHFFFAOYSA-N 0 0 335.363 2.468 50 30 EEEARN N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000012900162 462874263 /nfs/dbraw/zinc/87/42/63/462874263.db2.gz BWTXXYIPVWBVMB-IBGZPJMESA-N 0 0 335.407 2.362 50 30 EEEARN C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1cc(O)cc(O)c1 ZINC000017068811 462993921 /nfs/dbraw/zinc/99/39/21/462993921.db2.gz IXURDLPHAHSVPY-ATVHPVEESA-N 0 0 334.397 2.417 50 30 EEEARN CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3F)[C@]21C#N ZINC000019857651 463022473 /nfs/dbraw/zinc/02/24/73/463022473.db2.gz JLVQOIUVWRBVHK-NUEKZKHPSA-N 0 0 328.347 2.040 50 30 EEEARN CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1 ZINC000020190126 463025263 /nfs/dbraw/zinc/02/52/63/463025263.db2.gz ZFTSTAQQDQVYJZ-UHFFFAOYSA-N 0 0 326.444 2.309 50 30 EEEARN COC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1C ZINC000020219157 463025810 /nfs/dbraw/zinc/02/58/10/463025810.db2.gz VUEMGNHHKSDFQR-UHFFFAOYSA-N 0 0 336.395 2.375 50 30 EEEARN Cc1noc(C)c1CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000026016688 463148476 /nfs/dbraw/zinc/14/84/76/463148476.db2.gz MDBLLLYSJDEAPL-UHFFFAOYSA-N 0 0 342.374 2.194 50 30 EEEARN C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2ncccc2c1=O ZINC000031614850 463348417 /nfs/dbraw/zinc/34/84/17/463348417.db2.gz GPXUEAFQANQJST-LBPRGKRZSA-N 0 0 346.456 2.230 50 30 EEEARN Cc1cc2nnc(SCC(=O)Nc3sccc3C#N)n2c(C)n1 ZINC000033034727 463409369 /nfs/dbraw/zinc/40/93/69/463409369.db2.gz MCCURSVPHFKZLJ-UHFFFAOYSA-N 0 0 344.425 2.405 50 30 EEEARN C#CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2c(OC)cc(C)cc21 ZINC000072230290 463484282 /nfs/dbraw/zinc/48/42/82/463484282.db2.gz ZHORKMYGWPHGNY-IAGOWNOFSA-N 0 0 342.439 2.431 50 30 EEEARN CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@@H]1[C@H]32 ZINC000247527273 464690510 /nfs/dbraw/zinc/69/05/10/464690510.db2.gz NKITVIAMISOQED-ZSTCQHBASA-N 0 0 330.446 2.309 50 30 EEEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N)C[C@H]1C ZINC000524729734 467639380 /nfs/dbraw/zinc/63/93/80/467639380.db2.gz HFMRUGXSVZNZNZ-QZTNRIJFSA-N 0 0 337.759 2.123 50 30 biogenic EEEARN N#Cc1ccnc(O[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000575612231 468148718 /nfs/dbraw/zinc/14/87/18/468148718.db2.gz JWVMIAKVVGGWPI-HNNXBMFYSA-N 0 0 343.408 2.185 50 30 EEEARN C=CCCC(=O)NCCc1nnc(SCc2ccccn2)n1C ZINC000012152276 518695265 /nfs/dbraw/zinc/69/52/65/518695265.db2.gz PHDNFJHDASZVBJ-UHFFFAOYSA-N 0 0 331.445 2.127 50 30 EEEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000010524325 519012431 /nfs/dbraw/zinc/01/24/31/519012431.db2.gz JINNWMFEWZJTOC-JEJOPICUSA-N 0 0 345.395 2.103 50 30 EEEARN COc1cc(OC)cc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013957759 522859582 /nfs/dbraw/zinc/85/95/82/522859582.db2.gz UOPBXTIIOTVBBJ-UHFFFAOYSA-N 0 0 345.311 2.089 50 30 EEEARN C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC(COC)CC1 ZINC000952961176 796076901 /nfs/dbraw/zinc/07/69/01/796076901.db2.gz SLYWWPFCMBGKHA-UHFFFAOYSA-N 0 0 344.502 2.339 50 30 EEEARN N#Cc1ccc(N2CCC[C@H](CNC(=O)c3cncc(F)c3)C2)nc1 ZINC000826785242 800418556 /nfs/dbraw/zinc/41/85/56/800418556.db2.gz MUEOEJGFBOIKCZ-CQSZACIVSA-N 0 0 339.374 2.134 50 30 EEEARN CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n1 ZINC001506421488 1114602032 /nfs/dbraw/zinc/60/20/32/1114602032.db2.gz QJUYCDNTAOCIMV-AWEZNQCLSA-N 0 0 341.415 2.498 50 30 EEEARN CC1(C)Cc2ccccc2C(Nc2ccc(S(N)(=O)=O)cc2)=N1 ZINC000018229989 539328711 /nfs/dbraw/zinc/32/87/11/539328711.db2.gz CNLBZZDJOFNELQ-UHFFFAOYSA-N 0 0 329.425 2.337 50 30 EEEARN CC(C)NC(=O)O/N=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004344811 210176444 /nfs/dbraw/zinc/17/64/44/210176444.db2.gz MZOMMCZMXBXNRL-LFIBNONCSA-N 0 0 329.765 2.085 50 30 EEEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1cnccn1)CCCC2 ZINC000003563417 210056033 /nfs/dbraw/zinc/05/60/33/210056033.db2.gz LOLOELIYZCXXBH-UHFFFAOYSA-N 0 0 342.380 2.084 50 30 EEEARN COc1cc(C#N)c(/N=C/c2c(O)c(C)ncc2CO)cc1OC ZINC000067240604 215127424 /nfs/dbraw/zinc/12/74/24/215127424.db2.gz RWDHBSYILOAGGC-DNTJNYDQSA-N 0 0 327.340 2.227 50 30 EEEARN Cc1noc(C)c1/C=C\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000033462885 212940178 /nfs/dbraw/zinc/94/01/78/212940178.db2.gz GMXDECKRCCZPLS-KTKRTIGZSA-N 0 0 334.397 2.438 50 30 EEEARN C=CCn1c(=O)c2ccccc2nc1S[C@H]1CCCCNC1=O ZINC000032871680 212860512 /nfs/dbraw/zinc/86/05/12/212860512.db2.gz VCGVOIAHKLVWDS-AWEZNQCLSA-N 0 0 329.425 2.343 50 30 EEEARN CC(C)NC(=O)CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000032721376 212829752 /nfs/dbraw/zinc/82/97/52/212829752.db2.gz BZAOBHNKIQVSLM-UHFFFAOYSA-N 0 0 340.427 2.358 50 30 EEEARN N#C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000104394473 237085535 /nfs/dbraw/zinc/08/55/35/237085535.db2.gz XWDJWHWVFZBUOW-FUHWJXTLSA-N 0 0 349.390 2.083 50 30 EEEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N/OC(C)=O)CCC2 ZINC000000365828 209554097 /nfs/dbraw/zinc/55/40/97/209554097.db2.gz WENWTCKQEKYVPF-GZTJUZNOSA-N 0 0 338.385 2.487 50 30 EEEARN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1C#N ZINC000022278905 212287147 /nfs/dbraw/zinc/28/71/47/212287147.db2.gz CYAYUBGTXLROGV-UHFFFAOYSA-N 0 0 344.392 2.498 50 30 EEEARN N#Cc1ccnc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1 ZINC000426380765 241270004 /nfs/dbraw/zinc/27/00/04/241270004.db2.gz YZSBQXVVTWLBDU-UHFFFAOYSA-N 0 0 348.406 2.363 50 30 EEEARN Cc1nn(CC(=O)N(Cc2ccccc2)C(C)C)c(=O)c(C#N)c1C ZINC000019299339 212013216 /nfs/dbraw/zinc/01/32/16/212013216.db2.gz KFTHXPIHDLWKTF-UHFFFAOYSA-N 0 0 338.411 2.169 50 30 EEEARN Cc1cc2c(c(C)c1)NC(=O)C2=NNC(=S)NC[C@H]1CCCO1 ZINC000013122278 211523531 /nfs/dbraw/zinc/52/35/31/211523531.db2.gz YKOYSUKCYDKJDN-LLVKDONJSA-N 0 0 332.429 2.252 50 30 EEEARN N#Cc1ccccc1OCC(=O)NCc1ccccc1Cn1cccn1 ZINC000010235014 211155457 /nfs/dbraw/zinc/15/54/57/211155457.db2.gz MNGASFAUOPOKPT-UHFFFAOYSA-N 0 0 346.390 2.498 50 30 EEEARN Cc1ccc([C@H](NC(=O)Cn2cnnc2C#N)c2cccs2)cc1 ZINC000008987215 211026681 /nfs/dbraw/zinc/02/66/81/211026681.db2.gz IIOPXVSTIMPXOX-KRWDZBQOSA-N 0 0 337.408 2.426 50 30 EEEARN CCOC(=O)c1c(C)oc2ncn(Cc3ccc(C#N)cc3)c(=O)c21 ZINC000007552613 210813486 /nfs/dbraw/zinc/81/34/86/210813486.db2.gz AYICCQXBQNIKRR-UHFFFAOYSA-N 0 0 337.335 2.395 50 30 EEEARN Cc1ccccc1N(CC(=O)Nc1cccc(C#N)c1)S(C)(=O)=O ZINC000007525778 210810138 /nfs/dbraw/zinc/81/01/38/210810138.db2.gz XZXIZSTWXGEAMM-UHFFFAOYSA-N 0 0 343.408 2.271 50 30 EEEARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccccc2C#N)[C@@H]1C ZINC000004979605 210346828 /nfs/dbraw/zinc/34/68/28/210346828.db2.gz WCIVOLDYSFAQFS-FMKPAKJESA-N 0 0 344.411 2.421 50 30 EEEARN C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000004919313 210323989 /nfs/dbraw/zinc/32/39/89/210323989.db2.gz CIWFJADOTQEANW-KRWDZBQOSA-N 0 0 346.427 2.212 50 30 EEEARN N#C[C@@H]1CCCN(C(=O)c2cccc(C3=CCCS3(=O)=O)c2)C1 ZINC000299800484 258103366 /nfs/dbraw/zinc/10/33/66/258103366.db2.gz WWPIEWHDIFGRKQ-ZDUSSCGKSA-N 0 0 330.409 2.222 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2O)CC1 ZINC000034854048 132388406 /nfs/dbraw/zinc/38/84/06/132388406.db2.gz DINSINZNUWRYTA-UHFFFAOYSA-N 0 0 342.424 2.086 50 30 EEEARN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)N2CCC1CC2 ZINC000039324019 132396903 /nfs/dbraw/zinc/39/69/03/132396903.db2.gz KWWHXKRSBUICBO-ATVHPVEESA-N 0 0 343.383 2.067 50 30 EEEARN C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@@]12O3 ZINC000000355911 277891726 /nfs/dbraw/zinc/89/17/26/277891726.db2.gz SWEOKISNCSPDIY-XFEYQPKCSA-N 0 0 339.391 2.481 50 30 biogenic EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000005447297 280892305 /nfs/dbraw/zinc/89/23/05/280892305.db2.gz LMFPLYATWHOPMB-CQSZACIVSA-N 0 0 340.343 2.239 50 30 EEEARN O=C1CCCC2=C1[C@H](c1ccccc1Cl)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000006863815 304624434 /nfs/dbraw/zinc/62/44/34/304624434.db2.gz LYJBJUIIKSFSSC-LBPRGKRZSA-N 0 0 343.770 2.281 50 30 EEEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\N1CCN(C)CC1 ZINC000000392145 462559181 /nfs/dbraw/zinc/55/91/81/462559181.db2.gz GPDYCZPGOGMDED-HNENSFHCSA-N 0 0 344.484 2.474 50 30 EEEARN COc1cc(C#N)c(NC(=O)CN2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000001425565 462581160 /nfs/dbraw/zinc/58/11/60/462581160.db2.gz FCUHNMGEMCNHJX-BETUJISGSA-N 0 0 331.416 2.492 50 30 EEEARN COC(=O)CCC(C#N)(CCC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000002154679 462590310 /nfs/dbraw/zinc/59/03/10/462590310.db2.gz DVVFXLDMZOPUKO-UHFFFAOYSA-N 0 0 349.383 2.372 50 30 EEEARN C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(N)=O ZINC000002645407 462597943 /nfs/dbraw/zinc/59/79/43/462597943.db2.gz MGUGOCZGUCYGKE-JTQLQIEISA-N 0 0 336.392 2.148 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000006636109 462693741 /nfs/dbraw/zinc/69/37/41/462693741.db2.gz ONZHFTUQJQUNRC-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN COc1cc(C=NNC(=N)N)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000006667434 462695782 /nfs/dbraw/zinc/69/57/82/462695782.db2.gz HQZRIZYJZYAGBU-GIJQJNRQSA-N 0 0 329.316 2.003 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000006788478 462706131 /nfs/dbraw/zinc/70/61/31/462706131.db2.gz BXGBZXCSCDLFAO-UHFFFAOYSA-N 0 0 346.774 2.015 50 30 EEEARN Cc1ccccc1OCC(=O)ONC(=N)c1ccc([N+](=O)[O-])cc1 ZINC000008576310 462789227 /nfs/dbraw/zinc/78/92/27/462789227.db2.gz RSKOXSUGVDATQN-UHFFFAOYSA-N 0 0 329.312 2.146 50 30 EEEARN C[C@@H]1CN(c2ccc(NC(=S)NNCCC#N)cc2)C[C@@H](C)O1 ZINC000013658690 462898549 /nfs/dbraw/zinc/89/85/49/462898549.db2.gz REXZRPYKFHVALD-CHWSQXEVSA-N 0 0 333.461 2.005 50 30 EEEARN N#Cc1ccc(OCCOC(=O)c2ccc(Cn3cncn3)cc2)cc1 ZINC000014148320 462914479 /nfs/dbraw/zinc/91/44/79/462914479.db2.gz OURQKEFXMQSIEF-UHFFFAOYSA-N 0 0 348.362 2.434 50 30 EEEARN N#Cc1ccccc1CSCCNC(=O)c1ccc(C(N)=O)cc1 ZINC000014241448 462921536 /nfs/dbraw/zinc/92/15/36/462921536.db2.gz QLSZNMULICETKI-UHFFFAOYSA-N 0 0 339.420 2.320 50 30 EEEARN COC(=O)C1(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CCCCC1 ZINC000025172758 463112806 /nfs/dbraw/zinc/11/28/06/463112806.db2.gz NPXMJCBNYTVPCH-CYBMUJFWSA-N 0 0 330.384 2.318 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000123843534 463373882 /nfs/dbraw/zinc/37/38/82/463373882.db2.gz OLEYHHZBQQSIIJ-NSHDSACASA-N 0 0 334.257 2.457 50 30 EEEARN CC(=O)c1cccc(OCCCC(=O)[C@H](C#N)C(=O)NC(C)C)c1 ZINC000104055478 463407676 /nfs/dbraw/zinc/40/76/76/463407676.db2.gz KDOMRSGFSVIRFD-INIZCTEOSA-N 0 0 330.384 2.282 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(c3nc4cccnc4o3)CC2)c1 ZINC000033027258 463408282 /nfs/dbraw/zinc/40/82/82/463408282.db2.gz PFOQQSOPZNCEQK-UHFFFAOYSA-N 0 0 333.351 2.057 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)cc1OC ZINC000104257909 463410335 /nfs/dbraw/zinc/41/03/35/463410335.db2.gz OGAYGSLLFMFKSX-DDJMYBDESA-N 0 0 342.395 2.438 50 30 EEEARN C[C@@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1 ZINC000071416281 463416736 /nfs/dbraw/zinc/41/67/36/463416736.db2.gz MHTROKZSNAOLJN-LLVKDONJSA-N 0 0 336.395 2.191 50 30 EEEARN N#Cc1ncn(CC(=O)NCCc2cccc(Cl)c2Cl)c1C#N ZINC000126497824 463641862 /nfs/dbraw/zinc/64/18/62/463641862.db2.gz QUMYKXIKRLPTBX-UHFFFAOYSA-N 0 0 348.193 2.292 50 30 EEEARN COCc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000000453944 522902746 /nfs/dbraw/zinc/90/27/46/522902746.db2.gz FWMIVGLHBPKFMD-WOJGMQOQSA-N 0 0 348.424 2.462 50 30 EEEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(N)n[nH]2)c1 ZINC000005472725 524408985 /nfs/dbraw/zinc/40/89/85/524408985.db2.gz LPHYKPAUQMCRET-UHFFFAOYSA-N 0 0 330.417 2.043 50 30 EEEARN Cc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1 ZINC000000566212 525240933 /nfs/dbraw/zinc/24/09/33/525240933.db2.gz GTNBKKQDIVAXPW-UFFVCSGVSA-N 0 0 335.367 2.486 50 30 EEEARN N#CCCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000003271030 526450107 /nfs/dbraw/zinc/45/01/07/526450107.db2.gz CLLBWBLASHRXAV-UHFFFAOYSA-N 0 0 343.295 2.291 50 30 EEEARN CN(C)[C@@H](CNC=C1C(=O)Oc2ccccc2C1=O)c1ccco1 ZINC000828327189 1204933756 /nfs/dbraw/zinc/93/37/56/1204933756.db2.gz HIEYNFCLUPNMQC-ZVHGMHCTSA-N 0 0 326.352 2.158 50 30 EEEARN C=CCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000952961039 796076764 /nfs/dbraw/zinc/07/67/64/796076764.db2.gz BGHGUFAVZYLBON-AWEZNQCLSA-N 0 0 341.411 2.095 50 30 EEEARN C=CCN1C[C@@H](C(=O)N(CC)CCOc2ccc(C)cc2)CC1=O ZINC000952961131 796077136 /nfs/dbraw/zinc/07/71/36/796077136.db2.gz NGPAEXQWABHQRO-INIZCTEOSA-N 0 0 330.428 2.257 50 30 EEEARN C=CCC(=O)N1CCC[C@H](CNC(=O)COc2ccccc2OC)C1 ZINC000012023352 799590500 /nfs/dbraw/zinc/59/05/00/799590500.db2.gz SSNZZJUFXQXHON-OAHLLOKOSA-N 0 0 346.427 2.005 50 30 EEEARN O=C1Oc2ccccc2C(=O)C1=CNCCn1cnc2ccccc21 ZINC001547200897 1124226911 /nfs/dbraw/zinc/22/69/11/1124226911.db2.gz NQHSPSKXDNPLLL-SDNWHVSQSA-N 0 0 333.347 2.312 50 30 EEEARN Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCCO)nc12 ZINC000100815176 219108263 /nfs/dbraw/zinc/10/82/63/219108263.db2.gz YTZVJLOUVPFWTQ-DEDYPNTBSA-N 0 0 336.395 2.026 50 30 EEEARN CCCCCCCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O ZINC000048520743 213944449 /nfs/dbraw/zinc/94/44/49/213944449.db2.gz QKOOKYJEXPQXLA-UHFFFAOYSA-N 0 0 336.461 2.363 50 30 EEEARN NC(=NS(=O)(=O)Cc1ccccc1)Nc1nc2ccccc2o1 ZINC000004211201 210144706 /nfs/dbraw/zinc/14/47/06/210144706.db2.gz RZAIQRYFBDAHMA-UHFFFAOYSA-N 0 0 330.369 2.084 50 30 EEEARN CCCCN1C(=O)C(C#N)=NN(c2ccc(OC)cc2)[C@@H]1OCC ZINC000003772042 210074964 /nfs/dbraw/zinc/07/49/64/210074964.db2.gz QKCNCLZSOKCFGD-QGZVFWFLSA-N 0 0 330.388 2.344 50 30 EEEARN CNC(=O)[C@@H](C#N)C(=O)CCCc1ccc(Br)s1 ZINC000102700100 219223115 /nfs/dbraw/zinc/22/31/15/219223115.db2.gz UZHLXVDPWNMFPS-VIFPVBQESA-N 0 0 329.219 2.288 50 30 EEEARN CNC(=O)[C@@H](C#N)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000102708174 219223790 /nfs/dbraw/zinc/22/37/90/219223790.db2.gz HZVGNPFGBUPFGN-QMMMGPOBSA-N 0 0 348.712 2.011 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000445035 209604718 /nfs/dbraw/zinc/60/47/18/209604718.db2.gz IQELZRDKKXKPMK-UHFFFAOYSA-N 0 0 337.375 2.468 50 30 EEEARN C=CCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)NCC ZINC000035767782 213048845 /nfs/dbraw/zinc/04/88/45/213048845.db2.gz XVAKJTHIMWEAQV-MRXNPFEDSA-N 0 0 349.431 2.005 50 30 EEEARN CCN1C[C@@]2(CCCN(C(=O)c3ccccc3C#N)C2)CCC1=O ZINC000072430073 216221682 /nfs/dbraw/zinc/22/16/82/216221682.db2.gz UAIDRXINIHZFDS-LJQANCHMSA-N 0 0 325.412 2.423 50 30 EEEARN CCOC(=O)N1CCC[C@@H](C(=O)Oc2ccc(C#N)cc2OC)C1 ZINC000024758632 212437682 /nfs/dbraw/zinc/43/76/82/212437682.db2.gz DNWKCDDWIFGLCC-CYBMUJFWSA-N 0 0 332.356 2.341 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)c2ccsc2)CC1 ZINC000206601115 241046063 /nfs/dbraw/zinc/04/60/63/241046063.db2.gz STJPSTFZMAPKFN-UHFFFAOYSA-N 0 0 327.413 2.056 50 30 EEEARN N#Cc1cccnc1N1CCC(NC(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000223745472 241687141 /nfs/dbraw/zinc/68/71/41/241687141.db2.gz UKJMHPCGVSTGLI-GOSISDBHSA-N 0 0 348.406 2.042 50 30 EEEARN N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 ZINC000225485794 241891539 /nfs/dbraw/zinc/89/15/39/241891539.db2.gz HFCSGPIJVLZWTH-MRXNPFEDSA-N 0 0 347.378 2.285 50 30 EEEARN C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C ZINC000015867672 211865665 /nfs/dbraw/zinc/86/56/65/211865665.db2.gz CCJWDADXHYSCKO-UHFFFAOYSA-N 0 0 335.429 2.186 50 30 EEEARN CCOC(=O)[C@H]1CCCN(/C=C2\Oc3c(ccc(O)c3C)C2=O)C1 ZINC000012442417 211383534 /nfs/dbraw/zinc/38/35/34/211383534.db2.gz HDSIJDLILVYHGI-GQVHDAKQSA-N 0 0 331.368 2.392 50 30 EEEARN C[C@@H]1CN(C(=O)c2cc(F)cc(C#N)c2)CC[C@@]1(O)C1CCOCC1 ZINC000091713288 218052254 /nfs/dbraw/zinc/05/22/54/218052254.db2.gz YNTSMZOLOARDMO-YJYMSZOUSA-N 0 0 346.402 2.337 50 30 EEEARN N#Cc1cccc(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1 ZINC000091656317 218040767 /nfs/dbraw/zinc/04/07/67/218040767.db2.gz JPHDSBHFCZOKTB-QGZVFWFLSA-N 0 0 337.423 2.275 50 30 EEEARN CCOc1nc(SCC(N)=O)c(C#N)c(-c2ccccc2)c1C#N ZINC000008715022 210987583 /nfs/dbraw/zinc/98/75/83/210987583.db2.gz POOFKTAKGGQAQT-UHFFFAOYSA-N 0 0 338.392 2.468 50 30 EEEARN C=CCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000005060253 210379099 /nfs/dbraw/zinc/37/90/99/210379099.db2.gz IOEMYLHGBIZXNE-UHFFFAOYSA-N 0 0 328.393 2.165 50 30 EEEARN C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@H](CCSC)C2=O)c1C ZINC000006593948 258044802 /nfs/dbraw/zinc/04/48/02/258044802.db2.gz BYNUNBPBPZNTHF-CQSZACIVSA-N 0 0 349.456 2.147 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N(C)C[C@H](C)N1CCOCC1 ZINC000055054401 258014907 /nfs/dbraw/zinc/01/49/07/258014907.db2.gz LMELDZHWTFNCOI-INIZCTEOSA-N 0 0 332.444 2.434 50 30 EEEARN N#Cc1cccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 ZINC000299785406 258092472 /nfs/dbraw/zinc/09/24/72/258092472.db2.gz ZMDAFIKUAXULCP-UHFFFAOYSA-N 0 0 345.410 2.173 50 30 EEEARN COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000012407544 292016834 /nfs/dbraw/zinc/01/68/34/292016834.db2.gz FMBXAJRZVAYYSF-AWEZNQCLSA-N 0 0 340.339 2.442 50 30 EEEARN CCOC(=O)/C(=N/Nc1ccccc1C(F)(F)F)N1CCOCC1 ZINC000003887106 285627980 /nfs/dbraw/zinc/62/79/80/285627980.db2.gz YGLWTMUXBMOKNG-MOSHPQCFSA-N 0 0 345.321 2.326 50 30 EEEARN COc1ccc(C2CC(=O)C(=C3N[C@@H]4CCCC[C@@H]4N3)C(=O)C2)cc1 ZINC000009287823 286297518 /nfs/dbraw/zinc/29/75/18/286297518.db2.gz RTXBEJBENSJEGR-VHRNVKJDSA-N 0 0 340.423 2.426 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)[C@]1(C)CCCCO1)CC2 ZINC000091695334 276894315 /nfs/dbraw/zinc/89/43/15/276894315.db2.gz YASVNRGERXUEQX-SFHVURJKSA-N 0 0 334.460 2.363 50 30 EEEARN C=CCOC(=O)[C@]12C[C@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O ZINC000004114259 277873851 /nfs/dbraw/zinc/87/38/51/277873851.db2.gz OXEJIIKLRXTAFZ-JLSDUUJJSA-N 0 0 330.336 2.130 50 30 EEEARN CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000000549127 462570535 /nfs/dbraw/zinc/57/05/35/462570535.db2.gz OQYSZKPLQMMAHR-AWEZNQCLSA-N 0 0 337.759 2.188 50 30 EEEARN C=CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001808081 462588009 /nfs/dbraw/zinc/58/80/09/462588009.db2.gz CESQTJPGKLYFRA-KRWDZBQOSA-N 0 0 334.375 2.196 50 30 EEEARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1OC ZINC000003219454 462612717 /nfs/dbraw/zinc/61/27/17/462612717.db2.gz PWGHOGHOQXLYCY-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004936318 462641392 /nfs/dbraw/zinc/64/13/92/462641392.db2.gz FMRWYRIQNJXWQG-UHFFFAOYSA-N 0 0 346.412 2.275 50 30 EEEARN C=C(C)Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccccc2)n(C)c1=O ZINC000006791306 462705666 /nfs/dbraw/zinc/70/56/66/462705666.db2.gz GZZQSEHRFJTZHM-UHFFFAOYSA-N 0 0 349.394 2.023 50 30 EEEARN CC(=O)C1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000012437132 462852595 /nfs/dbraw/zinc/85/25/95/462852595.db2.gz OACSUKAIVHQATB-ZACQAIPSSA-N 0 0 333.340 2.439 50 30 EEEARN N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)c1 ZINC000091270326 462868160 /nfs/dbraw/zinc/86/81/60/462868160.db2.gz LULUGNJTIHAQDU-DOTOQJQBSA-N 0 0 338.411 2.423 50 30 EEEARN COc1cc(/C=N/S(=O)(=O)CCc2ccccc2)cc(OC)c1O ZINC000013126859 462885701 /nfs/dbraw/zinc/88/57/01/462885701.db2.gz BBXNTQRDPXUZBG-LDADJPATSA-N 0 0 349.408 2.401 50 30 EEEARN O=[N+]([O-])c1cc(-c2ccc(/C=N/n3cnnc3)o2)cc([N+](=O)[O-])c1 ZINC000013144836 462885996 /nfs/dbraw/zinc/88/59/96/462885996.db2.gz FCFOSPYQGNODQC-OMCISZLKSA-N 0 0 328.244 2.237 50 30 EEEARN COc1ccc(-c2c3c(N)c(C(N)=O)sc3nc(N)c2C#N)cc1 ZINC000023330247 463065322 /nfs/dbraw/zinc/06/53/22/463065322.db2.gz NWRPULJVEZBFNA-UHFFFAOYSA-N 0 0 339.380 2.107 50 30 EEEARN Cc1[nH][nH]c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100363962 463373215 /nfs/dbraw/zinc/37/32/15/463373215.db2.gz JGLGUOLSSHYZSX-QWHCGFSZSA-N 0 0 331.173 2.318 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C ZINC000100551705 463373787 /nfs/dbraw/zinc/37/37/87/463373787.db2.gz TWUFVOIVSIRBNQ-TZIYXEQSSA-N 0 0 346.339 2.248 50 30 EEEARN C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C\[C@H]3OC(=O)C(=C)[C@H]31)OC2=O ZINC000102070368 463384815 /nfs/dbraw/zinc/38/48/15/463384815.db2.gz JMUOPRSXUVOHFE-KHXFTIPISA-N 0 0 344.363 2.164 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCCC2)CC1 ZINC000032857655 463398983 /nfs/dbraw/zinc/39/89/83/463398983.db2.gz DPUUXYQQUQRMKL-UHFFFAOYSA-N 0 0 328.372 2.305 50 30 EEEARN N#Cc1cc2c(ccn(CCCn3ncc4ccccc43)c2=O)nc1O ZINC000071278786 463412457 /nfs/dbraw/zinc/41/24/57/463412457.db2.gz OHMFKZIOINJLEI-UHFFFAOYSA-N 0 0 345.362 2.414 50 30 EEEARN C=C(C)CN(C)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C ZINC000071439479 463416759 /nfs/dbraw/zinc/41/67/59/463416759.db2.gz LXLOYMBYYCMCIZ-HNNXBMFYSA-N 0 0 345.443 2.010 50 30 EEEARN CCOP(=O)(OCC)C(=NOC(=O)c1ccccc1C)C(N)=O ZINC000254748728 465019216 /nfs/dbraw/zinc/01/92/16/465019216.db2.gz FWEGUULLWJWDEZ-UHFFFAOYSA-N 0 0 342.288 2.217 50 30 EEEARN C=CCc1cc(C(=O)NCC2(CN3CCOCC3)CC2)ccc1OC ZINC000426661970 534408128 /nfs/dbraw/zinc/40/81/28/534408128.db2.gz GNTLEJHHZCIPLR-UHFFFAOYSA-N 0 0 344.455 2.266 50 30 EEEARN CCN(CC)C(=O)CSc1nnc(NN=Cc2ccc(C)o2)[nH]1 ZINC000007263519 520492452 /nfs/dbraw/zinc/49/24/52/520492452.db2.gz UKDWICPVQKSLGF-OVCLIPMQSA-N 0 0 336.421 2.113 50 30 EEEARN COc1cc(OC)c(C(=O)ONC(=N)c2cccc(C)c2)cc1OC ZINC000018251051 522791364 /nfs/dbraw/zinc/79/13/64/522791364.db2.gz FDZOEQAVTRFTRT-UHFFFAOYSA-N 0 0 344.367 2.498 50 30 EEEARN COc1ccc(CN=Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000004837486 523443174 /nfs/dbraw/zinc/44/31/74/523443174.db2.gz QWOJWXSFJYJUAJ-LDADJPATSA-N 0 0 327.388 2.076 50 30 EEEARN N=C(CS(=O)(=O)c1cccs1)NOC(=O)Nc1ccccc1 ZINC000004344873 526815243 /nfs/dbraw/zinc/81/52/43/526815243.db2.gz ANENZXZQBBPGDN-UHFFFAOYSA-N 0 0 339.398 2.043 50 30 EEEARN C=CCN(CC=C)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O ZINC000004435367 210192539 /nfs/dbraw/zinc/19/25/39/210192539.db2.gz KCRLAVYPQPYGJG-GOSISDBHSA-N 0 0 336.391 2.473 50 30 EEEARN O=C(C1=C(O)C(=O)O[C@]12C(=O)Nc1ccccc12)c1ccc(F)cc1 ZINC000066087577 215008517 /nfs/dbraw/zinc/00/85/17/215008517.db2.gz NIWQWHOYMFCQAV-SFHVURJKSA-N 0 0 339.278 2.225 50 30 EEEARN COC(=O)c1sc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(C#N)c1C ZINC000102204504 219190313 /nfs/dbraw/zinc/19/03/13/219190313.db2.gz KUKOXFGXHCJLLG-AOOOYVTPSA-N 0 0 330.365 2.170 50 30 EEEARN N#Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccccc1 ZINC000003669523 210071735 /nfs/dbraw/zinc/07/17/35/210071735.db2.gz KBFRYZAVSLGLKQ-UHFFFAOYSA-N 0 0 347.308 2.349 50 30 EEEARN CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(C#N)c(N)n2)c1C ZINC000003331685 210009188 /nfs/dbraw/zinc/00/91/88/210009188.db2.gz PWWGHXDSWPSAPH-UHFFFAOYSA-N 0 0 329.385 2.053 50 30 EEEARN C#CCOc1c(Cl)cc(C(=S)N2CCOCC2)cc1OC ZINC000002866430 209930348 /nfs/dbraw/zinc/93/03/48/209930348.db2.gz IHCVOQMTOIKEBO-UHFFFAOYSA-N 0 0 325.817 2.368 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O ZINC000002821666 209923706 /nfs/dbraw/zinc/92/37/06/209923706.db2.gz KPJRPRAPBJTOSZ-VGOFMYFVSA-N 0 0 331.349 2.484 50 30 EEEARN CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccccc1 ZINC000000478796 209626566 /nfs/dbraw/zinc/62/65/66/209626566.db2.gz ZCSYHZADYDKHSY-YBFXNURJSA-N 0 0 343.408 2.472 50 30 EEEARN Cc1cc(NCCN2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000019288041 212011600 /nfs/dbraw/zinc/01/16/00/212011600.db2.gz WESCNKPYTMFUIY-UHFFFAOYSA-N 0 0 335.411 2.412 50 30 EEEARN COc1ccc(CN2CN=C(Nc3nc4ccccc4o3)NC2)cc1 ZINC000016972889 211944500 /nfs/dbraw/zinc/94/45/00/211944500.db2.gz PLYWKABCWLWGIM-UHFFFAOYSA-N 0 0 337.383 2.434 50 30 EEEARN C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000110625704 220049723 /nfs/dbraw/zinc/04/97/23/220049723.db2.gz QIEHDLGZMQKRHK-DOMZBBRYSA-N 0 0 326.393 2.221 50 30 EEEARN N#Cc1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 ZINC000011591219 211223482 /nfs/dbraw/zinc/22/34/82/211223482.db2.gz DLTGTVOFIDKHMZ-LJQANCHMSA-N 0 0 333.347 2.288 50 30 EEEARN O=C1c2ccccc2C2=C1[C@H](c1cccs1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000000316726 285023345 /nfs/dbraw/zinc/02/33/45/285023345.db2.gz OLRYYCSNJGWOSC-NSHDSACASA-N 0 0 349.371 2.290 50 30 EEEARN N#CC1(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)CCCCC1 ZINC000007046933 208574891 /nfs/dbraw/zinc/57/48/91/208574891.db2.gz HXVNDRMJYMJVBV-UHFFFAOYSA-N 0 0 331.416 2.038 50 30 EEEARN C=CCN1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000009306514 258017874 /nfs/dbraw/zinc/01/78/74/258017874.db2.gz NBJYMRWDIZKRDC-UONOGXRCSA-N 0 0 340.445 2.082 50 30 EEEARN COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)CO[C@H](C(C)C)C2 ZINC000006759239 286488482 /nfs/dbraw/zinc/48/84/82/286488482.db2.gz VRHXIFCCTCZZSD-KRWDZBQOSA-N 0 0 339.395 2.397 50 30 EEEARN CC(=O)ON1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000047418 278220246 /nfs/dbraw/zinc/22/02/46/278220246.db2.gz RDEPFWDLDPALOY-OPQOLIRYSA-N 0 0 333.343 2.357 50 30 EEEARN N#CCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000002084505 279481652 /nfs/dbraw/zinc/48/16/52/279481652.db2.gz JOJOZAXNKXHQDM-UHFFFAOYSA-N 0 0 335.245 2.261 50 30 EEEARN Cc1c2c(nn1-c1ccccc1F)c(-n1ncc(C#N)c1N)nnc2C ZINC000001016766 280260525 /nfs/dbraw/zinc/26/05/25/280260525.db2.gz AEKMGMYPBRQYHB-UHFFFAOYSA-N 0 0 348.345 2.211 50 30 EEEARN COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC ZINC000000116460 462542808 /nfs/dbraw/zinc/54/28/08/462542808.db2.gz DHORTVBPLYGEIF-KEBDBYFISA-N 0 0 341.367 2.245 50 30 EEEARN [O-]C(=[NH+]C1CC(C(F)(F)F)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000329697711 465410275 /nfs/dbraw/zinc/41/02/75/465410275.db2.gz FKCHWWREHZSZPH-UNXYVOJBSA-N 0 0 331.342 2.245 50 30 EEEARN COc1ccccc1N1CCN(/N=C/c2ccc(O)cc2O)CC1 ZINC000000259025 462550772 /nfs/dbraw/zinc/55/07/72/462550772.db2.gz QFNLESLCVYNXDI-CPNJWEJPSA-N 0 0 327.384 2.263 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccc(C)cc2)c(=O)c1C#N ZINC000000583002 462570830 /nfs/dbraw/zinc/57/08/30/462570830.db2.gz HBTQVLVMYXMBMW-UHFFFAOYSA-N 0 0 325.368 2.122 50 30 EEEARN CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 ZINC000005216343 462650210 /nfs/dbraw/zinc/65/02/10/462650210.db2.gz SDBGKGISJZKUGD-CRQJOFGKSA-N 0 0 338.454 2.006 50 30 EEEARN CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000005342408 462656527 /nfs/dbraw/zinc/65/65/27/462656527.db2.gz LBDWQOGLKVUGDZ-CRQJOFGKSA-N 0 0 338.454 2.088 50 30 EEEARN N#CC1(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000006060045 462676409 /nfs/dbraw/zinc/67/64/09/462676409.db2.gz DBUALPJWMPBLNI-UHFFFAOYSA-N 0 0 331.328 2.094 50 30 EEEARN N#Cc1c(N)n[nH]c1CCCNC(=O)c1cc2ccccc2cc1O ZINC000006588982 462692143 /nfs/dbraw/zinc/69/21/43/462692143.db2.gz DTTNBIJCXNDWDP-UHFFFAOYSA-N 0 0 335.367 2.085 50 30 EEEARN CCc1ccc(-c2nnn(CC(=O)Nc3ccccc3C#N)n2)cc1 ZINC000007040683 462718317 /nfs/dbraw/zinc/71/83/17/462718317.db2.gz QFGCKTWTMUDUDU-UHFFFAOYSA-N 0 0 332.367 2.413 50 30 EEEARN COc1cccc(CC(=O)OCC(=O)NC2(C#N)CCCCC2)c1 ZINC000007682254 462746305 /nfs/dbraw/zinc/74/63/05/462746305.db2.gz XSNYLYIZDBVUIM-UHFFFAOYSA-N 0 0 330.384 2.124 50 30 EEEARN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000065388068 462762706 /nfs/dbraw/zinc/76/27/06/462762706.db2.gz FVQAUAPIFVVXGA-MRXNPFEDSA-N 0 0 345.418 2.181 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2ccccc2[N+](=O)[O-])C1 ZINC000012349059 462851953 /nfs/dbraw/zinc/85/19/53/462851953.db2.gz YPKJLPPOSJUKGT-CQSZACIVSA-N 0 0 340.343 2.239 50 30 EEEARN COc1ccc(CC(=O)ONC(=N)c2ccc(OC)c(OC)c2)cc1 ZINC000012655432 462862521 /nfs/dbraw/zinc/86/25/21/462862521.db2.gz FHHOHIAKYLGKLG-UHFFFAOYSA-N 0 0 344.367 2.119 50 30 EEEARN C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000014964996 462936316 /nfs/dbraw/zinc/93/63/16/462936316.db2.gz KYMHKYJGZFJZDB-QGZVFWFLSA-N 0 0 342.414 2.255 50 30 EEEARN C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2C[S@@](C)=O)c1 ZINC000120546864 463011008 /nfs/dbraw/zinc/01/10/08/463011008.db2.gz RGMXQTWPCXFBCN-DEOSSOPVSA-N 0 0 340.404 2.124 50 30 EEEARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1 ZINC000027555362 463195396 /nfs/dbraw/zinc/19/53/96/463195396.db2.gz WPMLDYBRQMNMKQ-GFCCVEGCSA-N 0 0 327.409 2.157 50 30 EEEARN CCCS(=O)(=O)c1nnc(NC(=O)c2cccc(OC)c2)s1 ZINC000027664696 463199635 /nfs/dbraw/zinc/19/96/35/463199635.db2.gz QCJWDKZOHWKSSR-UHFFFAOYSA-N 0 0 341.414 2.367 50 30 EEEARN COc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)noc2C)c1 ZINC000103503680 463403693 /nfs/dbraw/zinc/40/36/93/463403693.db2.gz HTMNSPNEOLTESJ-HNNXBMFYSA-N 0 0 327.340 2.190 50 30 EEEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1 ZINC000033040249 463409506 /nfs/dbraw/zinc/40/95/06/463409506.db2.gz FIZGIIHAQQLSTG-HNNXBMFYSA-N 0 0 335.411 2.102 50 30 EEEARN CSc1nn(-c2ccccc2)c(NC(=O)Cn2cccn2)c1C#N ZINC000125757711 463575497 /nfs/dbraw/zinc/57/54/97/463575497.db2.gz UAVDOMBGARUQBW-UHFFFAOYSA-N 0 0 338.396 2.301 50 30 EEEARN COc1cc(N[C@H]2CCCN(c3cnc(C#N)cn3)C2)cc(OC)c1 ZINC000127138554 463684528 /nfs/dbraw/zinc/68/45/28/463684528.db2.gz DBNKVPMPDJZTFU-ZDUSSCGKSA-N 0 0 339.399 2.446 50 30 EEEARN N#Cc1cccc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 ZINC000299783909 465885452 /nfs/dbraw/zinc/88/54/52/465885452.db2.gz VMZQFUCDPLCDTB-UHFFFAOYSA-N 0 0 345.410 2.173 50 30 EEEARN COC(=O)c1cc(NCC(=O)NC2(C#N)CCCC2)ccc1Cl ZINC000029942719 521891613 /nfs/dbraw/zinc/89/16/13/521891613.db2.gz GLBALUVTXDKFNS-UHFFFAOYSA-N 0 0 335.791 2.491 50 30 EEEARN Cc1ccc(OCC(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000013957038 525398385 /nfs/dbraw/zinc/39/83/85/525398385.db2.gz QOKRSBPFECUOJN-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN COc1cccc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000004681947 525770965 /nfs/dbraw/zinc/77/09/65/525770965.db2.gz OOMCXZNIBPNOJP-QGOAFFKASA-N 0 0 332.425 2.401 50 30 EEEARN CCOC(=O)[C@@H]1CCCN(/C=C2/Oc3c(ccc(O)c3C)C2=O)C1 ZINC000103159824 1358330370 /nfs/dbraw/zinc/33/03/70/1358330370.db2.gz HDSIJDLILVYHGI-JXCQQFQQSA-N 0 0 331.368 2.392 50 30 EEEARN C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@H]3[C@@H]1O)C2(C)C ZINC000822218745 787093275 /nfs/dbraw/zinc/09/32/75/787093275.db2.gz SDBITTRHSROXCY-ZMEFBDMZSA-N 0 0 334.456 2.233 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000004113617 210123288 /nfs/dbraw/zinc/12/32/88/210123288.db2.gz JBESNXINOYGXMX-INIZCTEOSA-N 0 0 346.383 2.451 50 30 EEEARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccc(C#N)cc2)[C@@H]1C ZINC000003308902 210002879 /nfs/dbraw/zinc/00/28/79/210002879.db2.gz AUBMZDATDBAYQC-CKEIUWERSA-N 0 0 344.411 2.421 50 30 EEEARN CN1/C(=C\c2ccc3c(c2)OCO3)C(=O)c2ccccc2S1(=O)=O ZINC000008991581 282604345 /nfs/dbraw/zinc/60/43/45/282604345.db2.gz OLSMACCUBPLZJC-JYRVWZFOSA-N 0 0 343.360 2.273 50 30 EEEARN CC/N=C1/S/C(=C2/c3ccccc3N(C(C)=O)C2=O)C(=O)N1CC ZINC000002702287 209891367 /nfs/dbraw/zinc/89/13/67/209891367.db2.gz ROINWVKWMJGHFN-DQRBBIAISA-N 0 0 343.408 2.262 50 30 EEEARN COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)cc1OC ZINC000103542443 219313827 /nfs/dbraw/zinc/31/38/27/219313827.db2.gz BWTROINMJPDKNZ-UYTDBDHRSA-N 0 0 339.347 2.413 50 30 EEEARN N#Cc1cccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1 ZINC000102149036 237069920 /nfs/dbraw/zinc/06/99/20/237069920.db2.gz KZQFZFAETCMUNB-UHFFFAOYSA-N 0 0 331.335 2.095 50 30 EEEARN N#Cc1c(COC(=O)c2ccccc2OCC(N)=O)cn2ccccc12 ZINC000022417211 212296884 /nfs/dbraw/zinc/29/68/84/212296884.db2.gz OTOWCFFHOCUKKE-UHFFFAOYSA-N 0 0 349.346 2.032 50 30 EEEARN CCCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1 ZINC000012778933 284124471 /nfs/dbraw/zinc/12/44/71/284124471.db2.gz BQNBDCBYNFQUQN-UHFFFAOYSA-N 0 0 345.428 2.239 50 30 EEEARN CCc1ccc2c(Cn3nc(C)c(C)c(C#N)c3=O)cc(=O)oc2c1 ZINC000007384520 210791418 /nfs/dbraw/zinc/79/14/18/210791418.db2.gz BGDCCTXOOKPOAI-UHFFFAOYSA-N 0 0 335.363 2.449 50 30 EEEARN CC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 ZINC000005182930 210408590 /nfs/dbraw/zinc/40/85/90/210408590.db2.gz VWDQPQWBFRDJAQ-UHFFFAOYSA-N 0 0 346.390 2.493 50 30 EEEARN CCOc1ccc(NC(=O)NCCSc2n[nH]c(C)n2)cc1C#N ZINC000299775847 258086526 /nfs/dbraw/zinc/08/65/26/258086526.db2.gz KJQSABLFGFOEMI-UHFFFAOYSA-N 0 0 346.416 2.297 50 30 EEEARN N#Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000014084108 135704500 /nfs/dbraw/zinc/70/45/00/135704500.db2.gz XJKXOWXAKCEXNR-VMPITWQZSA-N 0 0 334.379 2.442 50 30 EEEARN CSc1nc(N2CCN(C)CC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000004844209 274189714 /nfs/dbraw/zinc/18/97/14/274189714.db2.gz AGTCPCCQTKEKEV-UHFFFAOYSA-N 0 0 332.473 2.278 50 30 EEEARN Cc1cccc(-n2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)c1 ZINC000005152766 281187340 /nfs/dbraw/zinc/18/73/40/281187340.db2.gz VSTCJSDHMGSFMA-UHFFFAOYSA-N 0 0 328.331 2.179 50 30 EEEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nnnn21 ZINC000013130886 295386049 /nfs/dbraw/zinc/38/60/49/295386049.db2.gz MRXNACXGQHZJLD-OAHLLOKOSA-N 0 0 325.372 2.340 50 30 EEEARN N#Cc1cnn2cc(-c3ccc(C(=O)NC[C@@H]4CCOC4)cc3)cnc12 ZINC000534649949 468270320 /nfs/dbraw/zinc/27/03/20/468270320.db2.gz VQSUUYIOPAWFGC-ZDUSSCGKSA-N 0 0 347.378 2.034 50 30 EEEARN O=S1(=O)N=C(N/N=C/c2cc(Cl)ccc2O)c2ccccc21 ZINC000000033992 462540170 /nfs/dbraw/zinc/54/01/70/462540170.db2.gz ZFSNJXRFFNEJKB-LZYBPNLTSA-N 0 0 335.772 2.118 50 30 EEEARN COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1O ZINC000000442473 462563906 /nfs/dbraw/zinc/56/39/06/462563906.db2.gz XGHXLHYIEKNFSY-CXUHLZMHSA-N 0 0 340.788 2.367 50 30 EEEARN C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000001236216 462577348 /nfs/dbraw/zinc/57/73/48/462577348.db2.gz RVMLRNABIGJCIT-CABCVRRESA-N 0 0 336.482 2.062 50 30 EEEARN N#CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccccn2)C1=O ZINC000002841564 462604607 /nfs/dbraw/zinc/60/46/07/462604607.db2.gz WFLGBQKVAJOEKU-IBGZPJMESA-N 0 0 335.363 2.193 50 30 EEEARN N#Cc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1 ZINC000005458033 462660501 /nfs/dbraw/zinc/66/05/01/462660501.db2.gz VBSLKRJECLXCCC-UHFFFAOYSA-N 0 0 327.731 2.024 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1-c1ccc(Br)o1 ZINC000006729754 462701125 /nfs/dbraw/zinc/70/11/25/462701125.db2.gz RNZJAYFUCIBCNT-UHFFFAOYSA-N 0 0 343.206 2.064 50 30 EEEARN O=C(C1=C(O)C(=O)O[C@@]12C(=O)Nc1ccccc12)c1ccc(F)cc1 ZINC000066087575 462851118 /nfs/dbraw/zinc/85/11/18/462851118.db2.gz NIWQWHOYMFCQAV-GOSISDBHSA-N 0 0 339.278 2.225 50 30 EEEARN CN(C)c1ccc([C@H]2C3C(=O)c4ccccc4C3=Nc3nnnn32)cc1 ZINC000012349176 462851419 /nfs/dbraw/zinc/85/14/19/462851419.db2.gz PINJBRVFYLURSE-KRWDZBQOSA-N 0 0 344.378 2.362 50 30 EEEARN CCC[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1NC(=O)CCOC ZINC000091381833 462877158 /nfs/dbraw/zinc/87/71/58/462877158.db2.gz IBNWRNPLMFCCNL-RDJZCZTQSA-N 0 0 344.459 2.328 50 30 EEEARN O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)C31CC1 ZINC000013545876 462895570 /nfs/dbraw/zinc/89/55/70/462895570.db2.gz BAOWMYTUKUMZDC-WPTVKGRQSA-N 0 0 337.335 2.126 50 30 EEEARN C[C@@H]1CN(c2ccc(NC(=S)NNCCC#N)cc2)C[C@H](C)O1 ZINC000013658696 462898120 /nfs/dbraw/zinc/89/81/20/462898120.db2.gz REXZRPYKFHVALD-BETUJISGSA-N 0 0 333.461 2.416 50 30 EEEARN C#CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017797496 463001460 /nfs/dbraw/zinc/00/14/60/463001460.db2.gz HFHDZRRQDZOKKC-UHFFFAOYSA-N 0 0 342.420 2.183 50 30 EEEARN C=CCN1C[C@@H](C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)CC1=O ZINC000067434016 463005576 /nfs/dbraw/zinc/00/55/76/463005576.db2.gz PSZLMUVXLSGKLU-HNNXBMFYSA-N 0 0 344.459 2.274 50 30 EEEARN Cc1nn(C[C@@H](O)COc2ccc3ccccc3c2)c(=O)c(C#N)c1C ZINC000028915634 463236789 /nfs/dbraw/zinc/23/67/89/463236789.db2.gz GWQACACUOOFYKH-QGZVFWFLSA-N 0 0 349.390 2.325 50 30 EEEARN Cc1nnc(NC[C@H](c2ccccc2)N2CCOCC2)c(C#N)c1C ZINC000029526064 463260650 /nfs/dbraw/zinc/26/06/50/463260650.db2.gz QWTNGLAETXHGGP-GOSISDBHSA-N 0 0 337.427 2.451 50 30 EEEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000104055819 463408542 /nfs/dbraw/zinc/40/85/42/463408542.db2.gz TXPHNNMDLCPVCC-IUODEOHRSA-N 0 0 334.335 2.068 50 30 EEEARN Cc1c(C(C)C)nc(N)c(C#N)c1-c1cnc(N2CCOCC2)nc1 ZINC000071752675 463421671 /nfs/dbraw/zinc/42/16/71/463421671.db2.gz VGVPPLGOFDQNAR-UHFFFAOYSA-N 0 0 338.415 2.261 50 30 EEEARN CC[C@H]1CCc2nc(N)c(C#N)c(-c3cn(CCO)nc3C)c2C1 ZINC000071764265 463422624 /nfs/dbraw/zinc/42/26/24/463422624.db2.gz PQKPAPSJNXBWBU-LBPRGKRZSA-N 0 0 325.416 2.215 50 30 EEEARN Cc1c(O)ccc(C=NNc2nc3ccccc3n3cnnc23)c1O ZINC000252679362 464988172 /nfs/dbraw/zinc/98/81/72/464988172.db2.gz LHFLDSVQKJUNSZ-UHFFFAOYSA-N 0 0 334.339 2.443 50 30 EEEARN C#CCN1C(=O)S/C(=C\c2ccccc2OCC(=O)OCC)C1=O ZINC000013881596 518266059 /nfs/dbraw/zinc/26/60/59/518266059.db2.gz KJRZPSURWCCTSJ-UVTDQMKNSA-N 0 0 345.376 2.298 50 30 EEEARN CCCCCOc1c(C=NNc2[nH]c(=O)nnc2C)cccc1OC ZINC000004422771 520247147 /nfs/dbraw/zinc/24/71/47/520247147.db2.gz NSUXHRYZZCLNFL-WOJGMQOQSA-N 0 0 345.403 2.497 50 30 EEEARN O=C(CN1CCOC1=O)N(CC#Cc1ccccc1)C1CCCC1 ZINC000055280980 214300755 /nfs/dbraw/zinc/30/07/55/214300755.db2.gz UPBOTQPRMHZEOL-UHFFFAOYSA-N 0 0 326.396 2.262 50 30 EEEARN Cc1ccccc1OCc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 ZINC000004559616 210220386 /nfs/dbraw/zinc/22/03/86/210220386.db2.gz PJLYECLNKLMVFZ-UHFFFAOYSA-N 0 0 340.383 2.135 50 30 EEEARN Cc1sc(NC(=O)CSc2nnc(N)s2)c(C#N)c1C ZINC000004510483 210208741 /nfs/dbraw/zinc/20/87/41/210208741.db2.gz BESDMUYVWIAYHV-UHFFFAOYSA-N 0 0 325.444 2.401 50 30 EEEARN COc1cccc(-c2cc3nc(SCC#N)n(N)c(=O)c3s2)c1 ZINC000036646164 213107327 /nfs/dbraw/zinc/10/73/27/213107327.db2.gz LADHKKUJDZPKAE-UHFFFAOYSA-N 0 0 344.421 2.463 50 30 EEEARN COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1OC(C)=O ZINC000000116532 209431585 /nfs/dbraw/zinc/43/15/85/209431585.db2.gz FRTWQPZSQRUGSM-KEBDBYFISA-N 0 0 339.351 2.153 50 30 EEEARN N#CC(N=Nc1cccc(C(F)(F)F)c1)=C(N)N1CCOCC1 ZINC000000066822 209398412 /nfs/dbraw/zinc/39/84/12/209398412.db2.gz ZVXWHWRRQYRGBN-RARWTCAYSA-N 0 0 325.294 2.306 50 30 EEEARN N#Cc1ccc(C(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000023127756 212352545 /nfs/dbraw/zinc/35/25/45/212352545.db2.gz OHDWDTCFYVXWKI-IBGZPJMESA-N 0 0 335.407 2.362 50 30 EEEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1CC1CCOCC1 ZINC000218225639 241308990 /nfs/dbraw/zinc/30/89/90/241308990.db2.gz XRUGREMCLLNWDA-UHFFFAOYSA-N 0 0 329.425 2.235 50 30 EEEARN C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000021676202 212238689 /nfs/dbraw/zinc/23/86/89/212238689.db2.gz KYLUIDJCPKGSTA-LBPRGKRZSA-N 0 0 328.393 2.453 50 30 EEEARN COC(=O)c1ccc(-c2c(C#N)c(N)nc(SCC#N)c2C#N)cc1 ZINC000021475722 212225948 /nfs/dbraw/zinc/22/59/48/212225948.db2.gz HGHKFPUMMBICDI-UHFFFAOYSA-N 0 0 349.375 2.476 50 30 EEEARN C=CCN1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000020807364 212173976 /nfs/dbraw/zinc/17/39/76/212173976.db2.gz JVMMSFURFCQBOS-CSNJMMPQSA-N 0 0 341.436 2.122 50 30 EEEARN Cc1nn(C[C@@H](O)COc2cccc3ccccc32)c(=O)c(C#N)c1C ZINC000012766199 211450328 /nfs/dbraw/zinc/45/03/28/211450328.db2.gz AWTBWMOAQFAYJE-MRXNPFEDSA-N 0 0 349.390 2.325 50 30 EEEARN CCNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N ZINC000012421144 211374552 /nfs/dbraw/zinc/37/45/52/211374552.db2.gz NJEJQBNSRDAYBY-UHFFFAOYSA-N 0 0 346.412 2.430 50 30 EEEARN COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)c1 ZINC000005485645 210473173 /nfs/dbraw/zinc/47/31/73/210473173.db2.gz UBTDWZQZYSYRPZ-GIJQJNRQSA-N 0 0 330.413 2.048 50 30 EEEARN Nc1ncnc(N=NCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000005446782 210465753 /nfs/dbraw/zinc/46/57/53/210465753.db2.gz IMWRNNTYACCMJV-FZSIALSZSA-N 0 0 337.137 2.176 50 30 EEEARN N#Cc1ccccc1CN1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299802655 258105306 /nfs/dbraw/zinc/10/53/06/258105306.db2.gz VBXNKQOTBMQWMR-UHFFFAOYSA-N 0 0 345.410 2.173 50 30 EEEARN N#Cc1cccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)c1 ZINC000029394199 264026014 /nfs/dbraw/zinc/02/60/14/264026014.db2.gz IPTPKCKJODEGPG-UHFFFAOYSA-N 0 0 342.424 2.032 50 30 EEEARN CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N\n1cnnc1 ZINC000005598030 273648857 /nfs/dbraw/zinc/64/88/57/273648857.db2.gz RHWZNMHOADTXOR-GOBGVIRVSA-N 0 0 329.385 2.042 50 30 EEEARN CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)/c1=N\C(C)=O ZINC000017751084 276244434 /nfs/dbraw/zinc/24/44/34/276244434.db2.gz VMEUGXMETFIIRD-HEHNFIMWSA-N 0 0 349.394 2.077 50 30 EEEARN C[C@@H]1CCc2sc3ncnc(N4CCN(CC#N)CC4)c3c2C1 ZINC000019972625 278627606 /nfs/dbraw/zinc/62/76/06/278627606.db2.gz OTVCQSFXPFRHQP-GFCCVEGCSA-N 0 0 327.457 2.462 50 30 EEEARN Cc1cc(CN2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)on1 ZINC000028743498 280478383 /nfs/dbraw/zinc/47/83/83/280478383.db2.gz ABLVLDFPHCDLIM-UHFFFAOYSA-N 0 0 327.344 2.085 50 30 EEEARN CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 ZINC000005377115 462657544 /nfs/dbraw/zinc/65/75/44/462657544.db2.gz TZHILZQQHPRLHL-CRQJOFGKSA-N 0 0 338.454 2.006 50 30 EEEARN C=C(C)COc1ccc(C(=O)N2CCC3(CNC(=O)C3)CC2)cc1 ZINC000065375263 462759989 /nfs/dbraw/zinc/75/99/89/462759989.db2.gz AKSSJQDFGNFTLH-UHFFFAOYSA-N 0 0 328.412 2.384 50 30 EEEARN COc1ccc2c(c1)c(C(=O)N1CCn3nc(C#N)cc3C1)c(C)n2C ZINC000065397842 462763704 /nfs/dbraw/zinc/76/37/04/462763704.db2.gz YNQQODGTDILLMG-UHFFFAOYSA-N 0 0 349.394 2.220 50 30 EEEARN Cc1cccc([C@H](C(=O)N2CCCn3nc(C#N)cc3C2)N(C)C)c1 ZINC000065397349 462764411 /nfs/dbraw/zinc/76/44/11/462764411.db2.gz NURZDTLZESFMOE-GOSISDBHSA-N 0 0 337.427 2.098 50 30 EEEARN C=CCOc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 ZINC000015953682 462966573 /nfs/dbraw/zinc/96/65/73/462966573.db2.gz SPHHOWLSFQWFJE-YZGWKJHDSA-N 0 0 344.455 2.405 50 30 biogenic EEEARN CCc1c(C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(OC)nn1 ZINC000024547906 463089132 /nfs/dbraw/zinc/08/91/32/463089132.db2.gz XZDSUTXBVBFEQQ-UHFFFAOYSA-N 0 0 348.366 2.357 50 30 EEEARN COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2C#N)C1 ZINC000095519292 463102187 /nfs/dbraw/zinc/10/21/87/463102187.db2.gz RVXXUQREVXHKKT-MRXNPFEDSA-N 0 0 338.411 2.421 50 30 EEEARN Cc1ccsc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000026176024 463153246 /nfs/dbraw/zinc/15/32/46/463153246.db2.gz LKYUYGDYSKNWRW-UHFFFAOYSA-N 0 0 341.440 2.355 50 30 EEEARN CN(CC(=O)OC1CCCCC1)S(=O)(=O)c1ccccc1C#N ZINC000029460856 463258578 /nfs/dbraw/zinc/25/85/78/463258578.db2.gz GNGMDQDMFDKCTP-UHFFFAOYSA-N 0 0 336.413 2.055 50 30 EEEARN N#Cc1ccc(OCCN2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000029662014 463268220 /nfs/dbraw/zinc/26/82/20/463268220.db2.gz NISUJCOBFKHJPP-UHFFFAOYSA-N 0 0 327.428 2.271 50 30 EEEARN COc1cccc(O[C@@H](C)c2ccnc3nc(/N=C/N(C)C)nn32)c1 ZINC000100912177 463375847 /nfs/dbraw/zinc/37/58/47/463375847.db2.gz NMLNEGBYAUUKFJ-MKFNJMOCSA-N 0 0 340.387 2.494 50 30 EEEARN Cc1ccc(C(N)=O)c(OCC(=O)NC2(C#N)CCCCCC2)c1 ZINC000032907133 463401387 /nfs/dbraw/zinc/40/13/87/463401387.db2.gz HHCAYMFMIIYXBD-UHFFFAOYSA-N 0 0 329.400 2.206 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000104055537 463407982 /nfs/dbraw/zinc/40/79/82/463407982.db2.gz CEQIFSRTPJYEOJ-HIFRSBDPSA-N 0 0 334.335 2.247 50 30 EEEARN CS(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1 ZINC000071326962 463414804 /nfs/dbraw/zinc/41/48/04/463414804.db2.gz HSMAFRZJVUURKN-UHFFFAOYSA-N 0 0 347.421 2.088 50 30 EEEARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1nc[nH]n1 ZINC000033175349 463415425 /nfs/dbraw/zinc/41/54/25/463415425.db2.gz CINOVWCMFLHUJS-UHFFFAOYSA-N 0 0 344.400 2.305 50 30 EEEARN CCOC(=O)[C@@H]1CCc2nc(N)c(C#N)c(-c3cc(C#N)n(C)c3)c2C1 ZINC000071638886 463419108 /nfs/dbraw/zinc/41/91/08/463419108.db2.gz XNAPKLQNFAHTQG-LLVKDONJSA-N 0 0 349.394 2.081 50 30 EEEARN CC[C@@H]1CN(C(=O)C2(C#N)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071708122 463419830 /nfs/dbraw/zinc/41/98/30/463419830.db2.gz DPINVZIKDNTSPM-MRXNPFEDSA-N 0 0 325.412 2.330 50 30 EEEARN C=CCN(Cc1cccc(OC)c1)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 ZINC000055413622 518784496 /nfs/dbraw/zinc/78/44/96/518784496.db2.gz WDEUKPLRHFYDMM-HIFRSBDPSA-N 0 0 347.484 2.225 50 30 EEEARN C=CCNc1nc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000003508502 518962147 /nfs/dbraw/zinc/96/21/47/518962147.db2.gz HXKCSQKCQMZFKQ-VXGBXAGGSA-N 0 0 337.445 2.402 50 30 EEEARN CC[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000036213910 523816444 /nfs/dbraw/zinc/81/64/44/523816444.db2.gz RZPVMLYMMDRJDM-INIZCTEOSA-N 0 0 327.384 2.379 50 30 EEEARN COc1ccc(NC(=NS(C)(=O)=O)NCc2ccccc2)cc1 ZINC000033116334 524377230 /nfs/dbraw/zinc/37/72/30/524377230.db2.gz ZVLVAQPABIGTRZ-UHFFFAOYSA-N 0 0 333.413 2.213 50 30 EEEARN Cn1ccc(NC(=O)[C@@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000102297811 1199007443 /nfs/dbraw/zinc/00/74/43/1199007443.db2.gz MLUDGJVEOHRYIX-IRBQFCFKSA-N 0 0 328.759 2.434 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1/C=C\c1ccccc1OC ZINC000033446645 768819666 /nfs/dbraw/zinc/81/96/66/768819666.db2.gz JCFGNHSQKKWCNT-CMUBDUJZSA-N 0 0 328.368 2.393 50 30 EEEARN CC(C)CN(CC#Cc1ccccc1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000055108177 214274946 /nfs/dbraw/zinc/27/49/46/214274946.db2.gz LGDNTSISUDCCFN-IBGZPJMESA-N 0 0 341.499 2.159 50 30 EEEARN Cc1ccc(O)c(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 ZINC000049609751 214022946 /nfs/dbraw/zinc/02/29/46/214022946.db2.gz HYEODOBOQLFOCS-UHFFFAOYSA-N 0 0 334.379 2.304 50 30 EEEARN COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CCC3)c1 ZINC000100197495 219094268 /nfs/dbraw/zinc/09/42/68/219094268.db2.gz SCADXOTUDJDJAA-GFCCVEGCSA-N 0 0 328.368 2.085 50 30 EEEARN CCOC(=O)c1nnsc1NC=Nc1ccc(NC(C)=O)cc1 ZINC000004477824 210197878 /nfs/dbraw/zinc/19/78/78/210197878.db2.gz MHRDLTTWAAOQRM-UHFFFAOYSA-N 0 0 333.373 2.445 50 30 EEEARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCC1 ZINC000008036740 529837874 /nfs/dbraw/zinc/83/78/74/529837874.db2.gz DAMSVLHBCFMMEV-UHFFFAOYSA-N 0 0 348.834 2.163 50 30 EEEARN CN(C(=O)COC(=O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000003316264 210004776 /nfs/dbraw/zinc/00/47/76/210004776.db2.gz KXELPMKYSAOWES-UHFFFAOYSA-N 0 0 330.384 2.271 50 30 EEEARN Cc1oc(C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)NC1CC1 ZINC000038489303 213211437 /nfs/dbraw/zinc/21/14/37/213211437.db2.gz WHOXGQPDUCFURZ-UHFFFAOYSA-N 0 0 345.380 2.153 50 30 EEEARN CN1CCN(S(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000035288742 213018536 /nfs/dbraw/zinc/01/85/36/213018536.db2.gz CQLRKHPRACPSLN-SFHVURJKSA-N 0 0 341.436 2.236 50 30 EEEARN Cc1oc(NC(=O)CN2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C ZINC000072270567 216093049 /nfs/dbraw/zinc/09/30/49/216093049.db2.gz KTARVILKNMLDLM-CQSZACIVSA-N 0 0 341.415 2.320 50 30 EEEARN COc1cc([C@@H](c2c(C)[nH][nH]c2=O)C(C#N)C#N)cc(OC)c1OC ZINC000000076307 209403453 /nfs/dbraw/zinc/40/34/53/209403453.db2.gz YVDMFAPZHWFUEE-OAHLLOKOSA-N 0 0 342.355 2.245 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000101348032 291301827 /nfs/dbraw/zinc/30/18/27/291301827.db2.gz OWWUNWWEYSRQAA-LYSGOOTNSA-N 0 0 331.343 2.081 50 30 EEEARN C=CCOc1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1 ZINC000023109639 212348711 /nfs/dbraw/zinc/34/87/11/212348711.db2.gz ZIECMXUXRWOXML-DTQAZKPQSA-N 0 0 343.452 2.469 50 30 EEEARN Fc1cnc(N=NCc2ccc3c(c2)OCO3)nc1N1CCCC1 ZINC000226094977 242089278 /nfs/dbraw/zinc/08/92/78/242089278.db2.gz KSRZKDNPIAANAW-UWVJOHFNSA-N 0 0 329.335 2.391 50 30 EEEARN N=C(NOC(=O)c1ccc(Cl)cc1)c1ncc([N+](=O)[O-])s1 ZINC000013658509 211602021 /nfs/dbraw/zinc/60/20/21/211602021.db2.gz DWTASHGCZIDBGZ-UHFFFAOYSA-N 0 0 326.721 2.182 50 30 EEEARN CCCCCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000012934530 211487539 /nfs/dbraw/zinc/48/75/39/211487539.db2.gz KSXWSPGKRKTXFO-UHFFFAOYSA-N 0 0 337.445 2.189 50 30 EEEARN CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N(C)C)o2)cc1 ZINC000012421054 211374682 /nfs/dbraw/zinc/37/46/82/211374682.db2.gz ZFROCQNHXHUXQZ-UHFFFAOYSA-N 0 0 348.428 2.310 50 30 EEEARN C=CCNC(=O)Cn1c(CO)cnc1SCc1ccc(C)cc1 ZINC000009827538 211125292 /nfs/dbraw/zinc/12/52/92/211125292.db2.gz KGUOXAYUDKKWNV-UHFFFAOYSA-N 0 0 331.441 2.278 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1C#N ZINC000009235866 211055949 /nfs/dbraw/zinc/05/59/49/211055949.db2.gz QKDSUYSTLCCLSI-UHFFFAOYSA-N 0 0 347.321 2.092 50 30 EEEARN Cc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc32)n1C ZINC000008987231 211027409 /nfs/dbraw/zinc/02/74/09/211027409.db2.gz ITZIAFAROSVCGJ-UHFFFAOYSA-N 0 0 327.369 2.472 50 30 EEEARN CO/N=C\NC(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000008681043 277306640 /nfs/dbraw/zinc/30/66/40/277306640.db2.gz MDSUSHUVDGYWPQ-BLLLJJGKSA-N 0 0 327.340 2.436 50 30 EEEARN C=CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000100972527 277856717 /nfs/dbraw/zinc/85/67/17/277856717.db2.gz RHZTVBRKKWEYHJ-HRYUNSTCSA-N 0 0 328.390 2.020 50 30 EEEARN N#Cc1cccc([C@@H]2c3[nH]cnc3CCN2Cc2cccnc2N)c1 ZINC000072422279 294967938 /nfs/dbraw/zinc/96/79/38/294967938.db2.gz XXBQHDCMSQPUAD-GOSISDBHSA-N 0 0 330.395 2.406 50 30 EEEARN Cc1ccc(S(=O)(=O)OC[C@H](O)COCc2ccccc2)cc1 ZINC000002504680 462595702 /nfs/dbraw/zinc/59/57/02/462595702.db2.gz HBMUWOSOGHUWSS-MRXNPFEDSA-N 0 0 336.409 2.278 50 30 EEEARN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3nc(O)cs3)cc2)o1 ZINC000002546627 462595807 /nfs/dbraw/zinc/59/58/07/462595807.db2.gz JBBGZNGOESDXJA-VIZOYTHASA-N 0 0 330.325 2.408 50 30 EEEARN COc1cccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000000084635 462541797 /nfs/dbraw/zinc/54/17/97/462541797.db2.gz JMIFKZVJHDWDID-GZTJUZNOSA-N 0 0 329.381 2.110 50 30 EEEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000000436812 462563812 /nfs/dbraw/zinc/56/38/12/462563812.db2.gz QXZBAFPRLJEXAA-MDWZMJQESA-N 0 0 325.371 2.277 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OCC)cc2)C1=O ZINC000001166135 462578129 /nfs/dbraw/zinc/57/81/29/462578129.db2.gz ZNLSDZPQTPBRAF-GXDHUFHOSA-N 0 0 345.376 2.298 50 30 EEEARN CCn1ncc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1C ZINC000005489536 462661087 /nfs/dbraw/zinc/66/10/87/462661087.db2.gz XUXCBZSUJGNRQG-INIZCTEOSA-N 0 0 329.400 2.352 50 30 EEEARN NN=C(c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1ccccc1O ZINC000006025589 462674649 /nfs/dbraw/zinc/67/46/49/462674649.db2.gz PJTXXBJEZXRNPS-MNAFEPAFSA-N 0 0 344.758 2.091 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1cccs1 ZINC000075156025 462688225 /nfs/dbraw/zinc/68/82/25/462688225.db2.gz OMRVAAHGPWVLDQ-GFCCVEGCSA-N 0 0 349.799 2.061 50 30 EEEARN CSc1nc2n(n1)[C@@H](c1cn(C)nc1C)C1C(=O)CCCC1=N2 ZINC000006921593 462712390 /nfs/dbraw/zinc/71/23/90/462712390.db2.gz MDTGNJAHFUMBRW-ZDUSSCGKSA-N 0 0 330.417 2.064 50 30 EEEARN N#Cc1cnc(SCC(=O)N(C2=CCCCC2)C2CC2)nc1N ZINC000007813618 462752342 /nfs/dbraw/zinc/75/23/42/462752342.db2.gz YRGPDROQWUZLBE-UHFFFAOYSA-N 0 0 329.429 2.471 50 30 EEEARN O=C(c1ccco1)N1CCCN(Cc2cc(C#CCO)cs2)CC1 ZINC000065380846 462761324 /nfs/dbraw/zinc/76/13/24/462761324.db2.gz YIHLBRAOWCYASX-UHFFFAOYSA-N 0 0 344.436 2.033 50 30 EEEARN N#Cc1nncn1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008278055 462775933 /nfs/dbraw/zinc/77/59/33/462775933.db2.gz CSVSZICZUHVKCH-QGZVFWFLSA-N 0 0 331.379 2.250 50 30 EEEARN N#Cc1ccc(OC[C@H](O)COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000008726194 462793283 /nfs/dbraw/zinc/79/32/83/462793283.db2.gz FUKJKRZHFWWZHI-ZDUSSCGKSA-N 0 0 332.287 2.424 50 30 EEEARN N#Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 ZINC000012655084 462861664 /nfs/dbraw/zinc/86/16/64/462861664.db2.gz QSIITDHPGFSIQN-UHFFFAOYSA-N 0 0 334.335 2.090 50 30 EEEARN CCc1csc(Cn2cc(-c3cc(C#CCO)cs3)nn2)n1 ZINC000091933644 462914672 /nfs/dbraw/zinc/91/46/72/462914672.db2.gz HJZBZADFMXAQPF-UHFFFAOYSA-N 0 0 330.438 2.418 50 30 EEEARN CNC(=S)N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1 ZINC000015009392 462938177 /nfs/dbraw/zinc/93/81/77/462938177.db2.gz JXTXYYGIZOJJNG-NGYBGAFCSA-N 0 0 339.783 2.489 50 30 EEEARN C/C(CCS(=O)(=O)c1ccc2ccccc2c1)=N\NC(N)=S ZINC000015938084 462966498 /nfs/dbraw/zinc/96/64/98/462966498.db2.gz HFUDVNIWONUBGH-GZTJUZNOSA-N 0 0 335.454 2.213 50 30 EEEARN COc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N ZINC000018240437 463009421 /nfs/dbraw/zinc/00/94/21/463009421.db2.gz ONQBWENTOXHISF-UHFFFAOYSA-N 0 0 339.380 2.147 50 30 EEEARN N#CCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000024002255 463075557 /nfs/dbraw/zinc/07/55/57/463075557.db2.gz ZRXRYQRZFPATGI-UHFFFAOYSA-N 0 0 348.255 2.213 50 30 EEEARN C[C@@H](c1cccnc1)N1C(=O)C[C@@H](N(C)Cc2ccc(C#N)cc2)C1=O ZINC000101026193 463376003 /nfs/dbraw/zinc/37/60/03/463376003.db2.gz BCPYPJCFCJSFSD-KBXCAEBGSA-N 0 0 348.406 2.274 50 30 EEEARN CC[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)c1ncnn1CC ZINC000244899864 464465556 /nfs/dbraw/zinc/46/55/56/464465556.db2.gz ZRSCVSBNOQWJGQ-MRXNPFEDSA-N 0 0 340.427 2.302 50 30 EEEARN C#CCNC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000018486840 518276758 /nfs/dbraw/zinc/27/67/58/518276758.db2.gz IMOOMKHDKLJZNG-UHFFFAOYSA-N 0 0 326.425 2.045 50 30 EEEARN C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)n[nH]1 ZINC000012884438 518779850 /nfs/dbraw/zinc/77/98/50/518779850.db2.gz BCAMICOOPGXXFP-UHFFFAOYSA-N 0 0 343.865 2.409 50 30 EEEARN C=CCn1c(COC)nnc1SCC(=O)NCc1ccccc1 ZINC000004868796 519183133 /nfs/dbraw/zinc/18/31/33/519183133.db2.gz NRKOASIRNFGTOO-UHFFFAOYSA-N 0 0 332.429 2.019 50 30 EEEARN C=CCn1cc(CNCc2cc3c(cc2OC)OCCO3)c(C)n1 ZINC000055108734 519281277 /nfs/dbraw/zinc/28/12/77/519281277.db2.gz VNUFOYAMIJZNPJ-UHFFFAOYSA-N 0 0 329.400 2.447 50 30 EEEARN COc1ccc(C(C)=NNc2nnc(SCC#N)[nH]2)cc1OC ZINC000006854970 523364623 /nfs/dbraw/zinc/36/46/23/523364623.db2.gz JLKGWSYLQNWGNW-MFOYZWKCSA-N 0 0 332.389 2.274 50 30 EEEARN COc1ccc(F)cc1[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[C@H](O)C1 ZINC000244866341 524334890 /nfs/dbraw/zinc/33/48/90/524334890.db2.gz VUHZOWZPOAMQLH-CJBNDPTMSA-N 0 0 343.358 2.276 50 30 EEEARN O=S(=O)(N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1 ZINC000000197749 527203598 /nfs/dbraw/zinc/20/35/98/527203598.db2.gz KLXDNWLGFVGXGL-LICLKQGHSA-N 0 0 348.449 2.493 50 30 EEEARN N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC001772819080 1410372864 /nfs/dbraw/zinc/37/28/64/1410372864.db2.gz PITIEIZAXVMQTB-QGZVFWFLSA-N 0 0 347.422 2.117 50 30 EEEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1c[nH]nc1-n1cnnn1 ZINC000063871803 214774817 /nfs/dbraw/zinc/77/48/17/214774817.db2.gz QOTZOMVUQMDCEO-KBPBESRZSA-N 0 0 339.403 2.067 50 30 EEEARN N#Cc1nc(=O)n(-c2ccccc2)c(N)c1N=Cc1ccc(F)cc1 ZINC000100413509 219098182 /nfs/dbraw/zinc/09/81/82/219098182.db2.gz MEJPJOLXJYWCEV-JTSMEYIUSA-N 0 0 333.326 2.406 50 30 EEEARN CC1(C)CC(=O)C=C(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)O1 ZINC000065384943 214883792 /nfs/dbraw/zinc/88/37/92/214883792.db2.gz NXAUTXRSHKTBGC-JKSUJKDBSA-N 0 0 347.386 2.154 50 30 EEEARN N#Cc1cc2c(ccn([C@H](CO)CC3CCCCC3)c2=O)[nH]c1=O ZINC000067817901 215219787 /nfs/dbraw/zinc/21/97/87/215219787.db2.gz YWONGQGLCJJHRP-AWEZNQCLSA-N 0 0 327.384 2.065 50 30 EEEARN N#Cc1c(N)nc(-c2ccccc2OCC(N)=O)cc1-c1ccco1 ZINC000071754139 215811857 /nfs/dbraw/zinc/81/18/57/215811857.db2.gz TVKZTSBHFJOZSP-UHFFFAOYSA-N 0 0 334.335 2.327 50 30 EEEARN COc1nccc(N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1C#N ZINC000072144692 216030920 /nfs/dbraw/zinc/03/09/20/216030920.db2.gz IGAVCXZDLJUKNR-AWEZNQCLSA-N 0 0 340.358 2.314 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000023732063 212392482 /nfs/dbraw/zinc/39/24/82/212392482.db2.gz NQLMLGSYCBCODM-UHFFFAOYSA-N 0 0 347.465 2.126 50 30 EEEARN O=C1N/C(=N\N=C/c2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000016755488 211933149 /nfs/dbraw/zinc/93/31/49/211933149.db2.gz ZZLUSLRYGSCJKP-LWLPBDFMSA-N 0 0 344.352 2.352 50 30 EEEARN C=CCCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012042506 211283272 /nfs/dbraw/zinc/28/32/72/211283272.db2.gz OJDQQXZYWJIELI-OAHLLOKOSA-N 0 0 347.463 2.154 50 30 EEEARN C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000007873290 210858734 /nfs/dbraw/zinc/85/87/34/210858734.db2.gz ZCAFORKUMGAXBJ-GFCCVEGCSA-N 0 0 342.351 2.379 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000097495031 219029929 /nfs/dbraw/zinc/02/99/29/219029929.db2.gz OZZHCUJQRGBEEY-MRXNPFEDSA-N 0 0 325.368 2.258 50 30 biogenic EEEARN N#CC1(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCCC1 ZINC000021603122 258057110 /nfs/dbraw/zinc/05/71/10/258057110.db2.gz OQTHVXDKWBLZBW-UHFFFAOYSA-N 0 0 333.413 2.249 50 30 EEEARN CC(NN1C(=O)c2ccccc2C1=O)=C1C(=O)c2ccccc2C1=O ZINC000100004542 275401385 /nfs/dbraw/zinc/40/13/85/275401385.db2.gz NZIODKQHKFNKCB-KEBDBYFISA-N 0 0 332.315 2.354 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2ccccc2OC)C(=O)CC1(C)C ZINC000100318933 277387256 /nfs/dbraw/zinc/38/72/56/277387256.db2.gz KIWNOSNYBRBEMS-AUECHBEKSA-N 0 0 331.368 2.348 50 30 EEEARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1O ZINC000012347282 295233105 /nfs/dbraw/zinc/23/31/05/295233105.db2.gz HJAMWWBDUCNNFF-ZDUSSCGKSA-N 0 0 327.340 2.394 50 30 EEEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccncc2)cc1 ZINC000001299880 462578895 /nfs/dbraw/zinc/57/88/95/462578895.db2.gz YEFCDWCTHNZMIM-VCHYOVAHSA-N 0 0 339.380 2.298 50 30 EEEARN COC(=O)C(N=Nc1ccc(SC(F)(F)F)cc1)C(=O)OC ZINC000001465968 462583780 /nfs/dbraw/zinc/58/37/80/462583780.db2.gz CVBOIECETDAKEU-UHFFFAOYSA-N 0 0 336.291 2.412 50 30 EEEARN N#Cc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000005699910 462667403 /nfs/dbraw/zinc/66/74/03/462667403.db2.gz BMHLVZXSYZPXFH-UHFFFAOYSA-N 0 0 339.370 2.425 50 30 EEEARN CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C#N)c1 ZINC000006680308 462697375 /nfs/dbraw/zinc/69/73/75/462697375.db2.gz RGHZPVQYRJETHA-UHFFFAOYSA-N 0 0 335.410 2.122 50 30 EEEARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)c1 ZINC000007045805 462718396 /nfs/dbraw/zinc/71/83/96/462718396.db2.gz SOAOQCGPASXYLG-JTQLQIEISA-N 0 0 341.396 2.252 50 30 EEEARN C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008267051 462776103 /nfs/dbraw/zinc/77/61/03/462776103.db2.gz YDSQFFSSTCGLIV-AWEZNQCLSA-N 0 0 344.411 2.257 50 30 EEEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000008735014 462793679 /nfs/dbraw/zinc/79/36/79/462793679.db2.gz IEWAUNRXATZTSB-CYBMUJFWSA-N 0 0 338.363 2.413 50 30 EEEARN COc1ccccc1OCC#CCNS(=O)(=O)Cc1ccccc1 ZINC000090610430 462802998 /nfs/dbraw/zinc/80/29/98/462802998.db2.gz WTRZFZDYVSOLMN-UHFFFAOYSA-N 0 0 345.420 2.197 50 30 EEEARN N#Cc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 ZINC000012794235 462868126 /nfs/dbraw/zinc/86/81/26/462868126.db2.gz SZJSQSGPPDAKIM-UHFFFAOYSA-N 0 0 326.337 2.075 50 30 EEEARN N#Cc1ncn(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 ZINC000014143324 462913725 /nfs/dbraw/zinc/91/37/25/462913725.db2.gz IXVLMUFWDAWJOY-UHFFFAOYSA-N 0 0 334.364 2.163 50 30 EEEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccccc1 ZINC000015919941 462966514 /nfs/dbraw/zinc/96/65/14/462966514.db2.gz PLUYFFJSGJBNAP-INIZCTEOSA-N 0 0 341.338 2.396 50 30 EEEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH+]1CCC(C(C)(C)O)CC1)C2 ZINC000077504674 462997327 /nfs/dbraw/zinc/99/73/27/462997327.db2.gz IAHWGZCXWFGFPS-AWEZNQCLSA-N 0 0 347.459 2.108 50 30 EEEARN N#Cc1ccc(OCCN2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000027142188 463184016 /nfs/dbraw/zinc/18/40/16/463184016.db2.gz MKYRDPGBDCWJGM-GOSISDBHSA-N 0 0 339.395 2.311 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCc1ccccn1 ZINC000029162051 463245294 /nfs/dbraw/zinc/24/52/94/463245294.db2.gz OPUXTDOTGPACFN-CYBMUJFWSA-N 0 0 333.351 2.417 50 30 EEEARN N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc2c(c1)NC(=O)CO2 ZINC000032829281 463397723 /nfs/dbraw/zinc/39/77/23/463397723.db2.gz SUEJLIFMNPBSTG-UHFFFAOYSA-N 0 0 328.309 2.344 50 30 EEEARN CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N(C)C)c1C#N ZINC000032850664 463399095 /nfs/dbraw/zinc/39/90/95/463399095.db2.gz GLHPPECKIFJNFW-SECBINFHSA-N 0 0 333.413 2.186 50 30 EEEARN CCOC(=O)[C@H]1CCc2nc(N)c(C#N)c(-c3cc(C#N)n(C)c3)c2C1 ZINC000071638888 463419551 /nfs/dbraw/zinc/41/95/51/463419551.db2.gz XNAPKLQNFAHTQG-NSHDSACASA-N 0 0 349.394 2.081 50 30 EEEARN COc1ccc(C(C)=NNc2nnc(SCC#N)[nH]2)c(OC)c1 ZINC000253470687 465015317 /nfs/dbraw/zinc/01/53/17/465015317.db2.gz IDJUFFVJVXWFCY-UHFFFAOYSA-N 0 0 332.389 2.274 50 30 EEEARN C#CCSc1nncn1C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000033248052 518339506 /nfs/dbraw/zinc/33/95/06/518339506.db2.gz IIWDRAPIQCUMMQ-VURMDHGXSA-N 0 0 329.381 2.374 50 30 EEEARN C=CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008316842 518886697 /nfs/dbraw/zinc/88/66/97/518886697.db2.gz YOPCGJWPZJAOBL-UHFFFAOYSA-N 0 0 336.457 2.096 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(NC2CC2)s1 ZINC000007577532 519807694 /nfs/dbraw/zinc/80/76/94/519807694.db2.gz MDOHXJXYXFWMSG-CYBMUJFWSA-N 0 0 325.463 2.259 50 30 EEEARN COc1ccc(CCNC(=O)[C@@H](C)ON=C(N)c2ccccc2)cc1 ZINC000021700797 523965351 /nfs/dbraw/zinc/96/53/51/523965351.db2.gz IZYYRYSGIHAFCD-CQSZACIVSA-N 0 0 341.411 2.080 50 30 EEEARN O=C(CC1S/C(=N\c2ccccn2)NC1=O)NCc1ccccc1 ZINC000027577299 527186471 /nfs/dbraw/zinc/18/64/71/527186471.db2.gz OWDTZKOEEOYWBU-CYBMUJFWSA-N 0 0 340.408 2.007 50 30 EEEARN O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccco1)c1ccc(F)cc1 ZINC000015109805 527672297 /nfs/dbraw/zinc/67/22/97/527672297.db2.gz QZXSWQXTLRYDLG-OAHLLOKOSA-N 0 0 345.326 2.379 50 30 EEEARN C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC001198015785 1284927940 /nfs/dbraw/zinc/92/79/40/1284927940.db2.gz OTOVAIVCCVKOJC-KRWDZBQOSA-N 0 0 343.471 2.142 50 30 EEEARN C=CCN(Cc1ccccc1C)S(=O)(=O)N1CCC[C@@H]1COC ZINC000952961167 796077513 /nfs/dbraw/zinc/07/75/13/796077513.db2.gz QSJFLWCSJVRDCA-QGZVFWFLSA-N 0 0 338.473 2.339 50 30 EEEARN CC(C)CN(CC#Cc1ccccc1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000055108175 214275299 /nfs/dbraw/zinc/27/52/99/214275299.db2.gz LGDNTSISUDCCFN-LJQANCHMSA-N 0 0 341.499 2.159 50 30 EEEARN CN(C)N1C(=O)C[C@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O ZINC000001430765 282151519 /nfs/dbraw/zinc/15/15/19/282151519.db2.gz RPZAXJXWEBLCNQ-GFCCVEGCSA-N 0 0 328.368 2.215 50 30 EEEARN COc1ccc(-n2c(C)cc(CN=Nc3nnc(C)n3N)c2C)cc1 ZINC000004649290 210236334 /nfs/dbraw/zinc/23/63/34/210236334.db2.gz CIIFLMIFCQOPBP-VXLYETTFSA-N 0 0 339.403 2.162 50 30 EEEARN Cc1nn2c(nnc(C#N)c2N)c1-c1ccc(Br)cc1 ZINC000101427648 282306855 /nfs/dbraw/zinc/30/68/55/282306855.db2.gz RRINBDYXLIVRCJ-UHFFFAOYSA-N 0 0 329.161 2.146 50 30 EEEARN COc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)c(OC)c1OC ZINC000003907191 210091784 /nfs/dbraw/zinc/09/17/84/210091784.db2.gz GXMWCXQARDDAAB-CQSZACIVSA-N 0 0 344.371 2.182 50 30 EEEARN CCCS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000067714476 215193437 /nfs/dbraw/zinc/19/34/37/215193437.db2.gz RVZKTWJMGSUSFI-OAHLLOKOSA-N 0 0 335.473 2.100 50 30 EEEARN Cc1nnc([C@@]23COC[C@@H]2CN(c2ccc(Cl)cc2C#N)C3)o1 ZINC000685941863 539989279 /nfs/dbraw/zinc/98/92/79/539989279.db2.gz JSNHYAOUZMUHJO-LRDDRELGSA-N 0 0 330.775 2.308 50 30 EEEARN Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/c1ccc(O)cc1O ZINC000000500902 209637021 /nfs/dbraw/zinc/63/70/21/209637021.db2.gz KRMGEEJPEDVZMY-DJKKODMXSA-N 0 0 334.335 2.480 50 30 EEEARN N#C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000104394468 237086479 /nfs/dbraw/zinc/08/64/79/237086479.db2.gz XWDJWHWVFZBUOW-SJLPKXTDSA-N 0 0 349.390 2.083 50 30 EEEARN C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCC)nc2c1=O ZINC000072429304 216220036 /nfs/dbraw/zinc/22/00/36/216220036.db2.gz YNKTZYJHKYGDJK-UHFFFAOYSA-N 0 0 340.383 2.309 50 30 EEEARN N#Cc1ccc(OC2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000130592008 223163771 /nfs/dbraw/zinc/16/37/71/223163771.db2.gz UZSLUILXGHMVGG-UHFFFAOYSA-N 0 0 337.335 2.299 50 30 EEEARN N#Cc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000021934912 212265729 /nfs/dbraw/zinc/26/57/29/212265729.db2.gz FSOKJOOHCDIXBU-UHFFFAOYSA-N 0 0 335.407 2.320 50 30 EEEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000021784031 212249214 /nfs/dbraw/zinc/24/92/14/212249214.db2.gz RLUASWJOULVPRH-SECBINFHSA-N 0 0 345.380 2.346 50 30 EEEARN C#CCOc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OC ZINC000015107529 211802634 /nfs/dbraw/zinc/80/26/34/211802634.db2.gz XAALLJKFFZJMMW-SNVBAGLBSA-N 0 0 329.381 2.220 50 30 EEEARN CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000011371636 211214100 /nfs/dbraw/zinc/21/41/00/211214100.db2.gz UAPWMAFWAXKUHY-MEBBXXQBSA-N 0 0 338.433 2.093 50 30 EEEARN C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C)c3Cl)C[C@]2(C(=O)[O-])C1 ZINC000091915399 218087787 /nfs/dbraw/zinc/08/77/87/218087787.db2.gz YBTOCIKDVUQUQV-FZKQIMNGSA-N 0 0 348.830 2.293 50 30 EEEARN C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000006729621 210693031 /nfs/dbraw/zinc/69/30/31/210693031.db2.gz MBORLIJDWZYGLI-UHFFFAOYSA-N 0 0 342.848 2.430 50 30 EEEARN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000334158653 285191189 /nfs/dbraw/zinc/19/11/89/285191189.db2.gz ZKIMDSJVNKXMKF-UWVGGRQHSA-P 0 0 338.261 2.411 50 30 EEEARN COc1ccc(-c2cc(N3CCOCC3)c(C#N)c(=O)o2)cc1OC ZINC000035245750 132389800 /nfs/dbraw/zinc/38/98/00/132389800.db2.gz PQHXWZSLPDCYEY-UHFFFAOYSA-N 0 0 342.351 2.032 50 30 EEEARN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000037171562 132393293 /nfs/dbraw/zinc/39/32/93/132393293.db2.gz KIGKXHFDUVSBJG-MRVPVSSYSA-N 0 0 341.297 2.118 50 30 EEEARN CCN(CCOC)C(=O)c1ccc(-c2cnc3c(C#N)cnn3c2)cc1 ZINC000534665474 468271913 /nfs/dbraw/zinc/27/19/13/468271913.db2.gz TUPRVXJMNVMWPH-UHFFFAOYSA-N 0 0 349.394 2.376 50 30 EEEARN C#C[C@@](C)(CC)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000000033788 462540277 /nfs/dbraw/zinc/54/02/77/462540277.db2.gz DDXBVUCDFHMRFN-SFHVURJKSA-N 0 0 342.420 2.267 50 30 EEEARN CCOC(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)n(C)n1 ZINC000002798386 462603572 /nfs/dbraw/zinc/60/35/72/462603572.db2.gz SKWAQTATGSTCLG-UHFFFAOYSA-N 0 0 332.385 2.399 50 30 EEEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(OC)cc2)C1=O ZINC000002902278 462606578 /nfs/dbraw/zinc/60/65/78/462606578.db2.gz FQEGTMPPWZJHSU-HXUWFJFHSA-N 0 0 335.359 2.136 50 30 EEEARN N#Cc1ccccc1OCC(=O)OCC(=O)N1CCc2ccccc21 ZINC000003279251 462614657 /nfs/dbraw/zinc/61/46/57/462614657.db2.gz ZHKFRUQEFUJQOR-UHFFFAOYSA-N 0 0 336.347 2.070 50 30 EEEARN CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)cc1 ZINC000004181502 462628765 /nfs/dbraw/zinc/62/87/65/462628765.db2.gz QHABDZVHFXVBPH-RACUKVQNSA-N 0 0 335.407 2.284 50 30 EEEARN CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 ZINC000005216345 462649570 /nfs/dbraw/zinc/64/95/70/462649570.db2.gz SDBGKGISJZKUGD-FJOSAAFMSA-N 0 0 338.454 2.006 50 30 EEEARN C=CCN(CC=C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000005214751 462649707 /nfs/dbraw/zinc/64/97/07/462649707.db2.gz YTAIUXJLYYZGDJ-UHFFFAOYSA-N 0 0 333.457 2.338 50 30 EEEARN N#Cc1cccnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000007051391 462720048 /nfs/dbraw/zinc/72/00/48/462720048.db2.gz IGTNYHYNGACHDY-UHFFFAOYSA-N 0 0 327.365 2.090 50 30 EEEARN Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)C[C@H]1O ZINC000065395378 462762176 /nfs/dbraw/zinc/76/21/76/462762176.db2.gz MOFSBAJOTQNIJS-HUUCEWRRSA-N 0 0 327.409 2.314 50 30 EEEARN COc1ccc(OC[C@H](O)COc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000008734636 462792950 /nfs/dbraw/zinc/79/29/50/462792950.db2.gz MCSZJFUMOMCLJP-CYBMUJFWSA-N 0 0 344.323 2.294 50 30 EEEARN CN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(C#N)cc1 ZINC000008937468 462797999 /nfs/dbraw/zinc/79/79/99/462797999.db2.gz OJAOPUNMGKJTKV-UHFFFAOYSA-N 0 0 338.363 2.367 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)Nc1cccs1 ZINC000090743910 462807901 /nfs/dbraw/zinc/80/79/01/462807901.db2.gz ABAYDKVVUSUSQE-UHFFFAOYSA-N 0 0 329.381 2.051 50 30 EEEARN CC#CC(=O)N1CCC(Cc2ccc(OC)cc2)(C(=O)OCC)CC1 ZINC000012835264 462871220 /nfs/dbraw/zinc/87/12/20/462871220.db2.gz MLIJWKBLYJMKRO-UHFFFAOYSA-N 0 0 343.423 2.433 50 30 EEEARN N#Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000012900153 462874743 /nfs/dbraw/zinc/87/47/43/462874743.db2.gz BWTXXYIPVWBVMB-LJQANCHMSA-N 0 0 335.407 2.362 50 30 EEEARN COc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC ZINC000013732031 462902237 /nfs/dbraw/zinc/90/22/37/462902237.db2.gz IDKGSFGKIHWLDC-UHFFFAOYSA-N 0 0 331.397 2.185 50 30 EEEARN N#Cc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000016035315 462968505 /nfs/dbraw/zinc/96/85/05/462968505.db2.gz DIKUFQVOUVRXTC-UHFFFAOYSA-N 0 0 347.330 2.195 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C#N)c1 ZINC000016626213 462984791 /nfs/dbraw/zinc/98/47/91/462984791.db2.gz HGLJSPXLOIUGKT-UHFFFAOYSA-N 0 0 347.371 2.200 50 30 EEEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000024021168 463076514 /nfs/dbraw/zinc/07/65/14/463076514.db2.gz QYBPUIRZGRVHTO-NSHDSACASA-N 0 0 349.346 2.190 50 30 EEEARN CC(C)(C)NC(=O)CN1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000025436317 463124577 /nfs/dbraw/zinc/12/45/77/463124577.db2.gz PJNPNAZEKSPWQH-UHFFFAOYSA-N 0 0 346.450 2.120 50 30 EEEARN CC(=O)C1=C(C)OC(=O)[C@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000096232814 463222989 /nfs/dbraw/zinc/22/29/89/463222989.db2.gz ZIAABZSMKFSPKJ-AWEZNQCLSA-N 0 0 345.248 2.276 50 30 EEEARN COCc1cc(C)n(Cc2nc(-c3ccccc3)no2)c(=O)c1C#N ZINC000096234396 463223170 /nfs/dbraw/zinc/22/31/70/463223170.db2.gz YNUOEUCKQHHZBQ-UHFFFAOYSA-N 0 0 336.351 2.273 50 30 EEEARN C=CCn1c(SCC(=O)NCCC(C)C)nc2ncccc2c1=O ZINC000031614934 463348024 /nfs/dbraw/zinc/34/80/24/463348024.db2.gz UDZBDDPCGQDWAI-UHFFFAOYSA-N 0 0 346.456 2.232 50 30 EEEARN CCOc1ccc(S(=O)(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000032577578 463381530 /nfs/dbraw/zinc/38/15/30/463381530.db2.gz KPGSVZMJUQKYPR-WJDWOHSUSA-N 0 0 349.368 2.306 50 30 EEEARN COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc(OC)c1C ZINC000104055639 463408195 /nfs/dbraw/zinc/40/81/95/463408195.db2.gz AMJQDIDRMPTTPL-CYBMUJFWSA-N 0 0 339.351 2.368 50 30 EEEARN COc1ccc(CNC(=NS(C)(=O)=O)Nc2ccccc2)cc1 ZINC000033116427 463413254 /nfs/dbraw/zinc/41/32/54/463413254.db2.gz PSXAEHRXMRXZJZ-UHFFFAOYSA-N 0 0 333.413 2.213 50 30 EEEARN C=CCn1c(-c2cccs2)cn2cc(C(=O)N(C)C)nc2c1=O ZINC000072448034 463511431 /nfs/dbraw/zinc/51/14/31/463511431.db2.gz IZDAYDBIIONGIJ-UHFFFAOYSA-N 0 0 328.397 2.112 50 30 EEEARN N#CC1(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCCC1 ZINC000107362783 463568063 /nfs/dbraw/zinc/56/80/63/463568063.db2.gz UXINQEUBXGOEGU-QZTJIDSGSA-N 0 0 339.439 2.182 50 30 EEEARN C[C@@H]1CCC[C@@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000245253907 464469809 /nfs/dbraw/zinc/46/98/09/464469809.db2.gz RLYPQFNJRZEZOM-JKIFEVAISA-N 0 0 343.427 2.454 50 30 EEEARN Cc1cccc(-n2nnnc2SCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000002651059 534569360 /nfs/dbraw/zinc/56/93/60/534569360.db2.gz ORLQJSLAEPIMNN-MRXNPFEDSA-N 0 0 344.444 2.117 50 30 EEEARN COc1ccc(-c2cnnc(N=NCc3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000004351320 523157776 /nfs/dbraw/zinc/15/77/76/523157776.db2.gz HZOAUTKXMRDKAU-LZYBPNLTSA-N 0 0 340.299 2.494 50 30 EEEARN COc1ccc(C(=N)NOC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000004725378 523371947 /nfs/dbraw/zinc/37/19/47/523371947.db2.gz CRDUOAIBASQECN-UHFFFAOYSA-N 0 0 345.311 2.089 50 30 EEEARN Cc1ccc(C(=O)C2CCN(CC(=O)NCCC#N)CC2)c(C)c1 ZINC000026643735 526033777 /nfs/dbraw/zinc/03/37/77/526033777.db2.gz VABMWXLZKSIQGF-UHFFFAOYSA-N 0 0 327.428 2.228 50 30 EEEARN CC(C)(C)OC(=O)N1CC[C@H](CCOS(C)(=O)=O)C(F)(F)C1 ZINC000390822859 564092827 /nfs/dbraw/zinc/09/28/27/564092827.db2.gz LUFOKRAKBXHRJO-SNVBAGLBSA-N 0 0 343.392 2.245 50 30 EEEARN CC(C)c1noc(C2CCN(C(=O)c3cc(C#N)cn3C)CC2)n1 ZINC000952975594 796119346 /nfs/dbraw/zinc/11/93/46/796119346.db2.gz ZIYVFIQIMQJSFB-UHFFFAOYSA-N 0 0 327.388 2.423 50 30 EEEARN Cc1cccnc1C(=O)NC[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC001506398454 1114595123 /nfs/dbraw/zinc/59/51/23/1114595123.db2.gz DADJAQJQONMWEB-OAHLLOKOSA-N 0 0 335.411 2.303 50 30 EEEARN C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000051316046 214087955 /nfs/dbraw/zinc/08/79/55/214087955.db2.gz WBQBRELMYIOBJD-UHFFFAOYSA-N 0 0 349.390 2.296 50 30 EEEARN C=CCNC(=O)C[C@@H](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000004704283 210253328 /nfs/dbraw/zinc/25/33/28/210253328.db2.gz LBUARZMWSRMMRW-OAHLLOKOSA-N 0 0 347.434 2.193 50 30 EEEARN C=CCN(C(=O)c1ccc(OCC(=C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000055405052 214320622 /nfs/dbraw/zinc/32/06/22/214320622.db2.gz VLMIOBLKRDNEIY-MRXNPFEDSA-N 0 0 349.452 2.457 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1Cl ZINC000100968104 219112808 /nfs/dbraw/zinc/11/28/08/219112808.db2.gz WJAIALNSNAKJTF-BETUJISGSA-N 0 0 343.770 2.101 50 30 EEEARN Cc1nnc(=O)[nH]c1NN=Cc1cccc(OCc2ccccc2)c1 ZINC000003946847 210093643 /nfs/dbraw/zinc/09/36/43/210093643.db2.gz NMTDGFDXNALCFQ-YBFXNURJSA-N 0 0 335.367 2.498 50 30 EEEARN Cn1nc(C(F)(F)F)c(C#N)c1OS(=O)(=O)c1ccccc1 ZINC000012955705 282802581 /nfs/dbraw/zinc/80/25/81/282802581.db2.gz JUNJBRBVQZBRPK-UHFFFAOYSA-N 0 0 331.275 2.078 50 30 EEEARN COc1cccc(C=NN2C(=S)N=NC2c2ccncc2)c1O ZINC000001302832 209723375 /nfs/dbraw/zinc/72/33/75/209723375.db2.gz WBHCXZGBZHYDIE-RQZCQDPDSA-N 0 0 327.369 2.225 50 30 EEEARN C=CCN(C(=O)C1CC1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004245 213055388 /nfs/dbraw/zinc/05/53/88/213055388.db2.gz ITKGPBCCMJEUFE-GFCCVEGCSA-N 0 0 332.400 2.414 50 30 EEEARN N#Cc1ccccc1NC(=O)CCn1cnc2cc(F)ccc2c1=O ZINC000023175178 212358637 /nfs/dbraw/zinc/35/86/37/212358637.db2.gz INSULZBOWBUKNR-UHFFFAOYSA-N 0 0 336.326 2.436 50 30 EEEARN C#CCN1C(=O)S/C(=C\c2c(OC)cc(OC)cc2OC)C1=O ZINC000013880800 211654715 /nfs/dbraw/zinc/65/47/15/211654715.db2.gz VPEFCNNHCRZQBW-ZROIWOOFSA-N 0 0 333.365 2.382 50 30 EEEARN C=C(C)COc1c(I)cc(C(N)=O)cc1OC ZINC000006701717 210685625 /nfs/dbraw/zinc/68/56/25/210685625.db2.gz OQYMMTZTYGIMOY-UHFFFAOYSA-N 0 0 347.152 2.354 50 30 EEEARN C#CCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@H]1C(=O)NCC=C ZINC000055060708 258014852 /nfs/dbraw/zinc/01/48/52/258014852.db2.gz NWCSEIFDWJHGES-SJORKVTESA-N 0 0 328.412 2.350 50 30 EEEARN O=C1Nc2ccccc2C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015773562 275024939 /nfs/dbraw/zinc/02/49/39/275024939.db2.gz AFHKABYLKKFVNS-UHFFFAOYSA-N 0 0 327.256 2.271 50 30 EEEARN CCCCC(=O)N/C(C)=C1/C(=O)c2ccccc2S(=O)(=O)N1C ZINC000009341275 276226108 /nfs/dbraw/zinc/22/61/08/276226108.db2.gz XENPECMLAQBUDS-PTNGSMBKSA-N 0 0 336.413 2.041 50 30 EEEARN C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1 ZINC000000156575 290326632 /nfs/dbraw/zinc/32/66/32/290326632.db2.gz XKQNKHVBKYENMF-LBPRGKRZSA-N 0 0 341.392 2.484 50 30 EEEARN Cn1c(Oc2ccc(Cl)cc2Cl)c(C#N)c(=O)n(C)c1=O ZINC000022194219 294169448 /nfs/dbraw/zinc/16/94/48/294169448.db2.gz UAZCRFULOCHWSU-UHFFFAOYSA-N 0 0 326.139 2.055 50 30 EEEARN COc1cc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)ccc1O ZINC000012347349 295021982 /nfs/dbraw/zinc/02/19/82/295021982.db2.gz LHAYPQUJVPMBCX-ZDUSSCGKSA-N 0 0 327.340 2.394 50 30 EEEARN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000334158654 465040774 /nfs/dbraw/zinc/04/07/74/465040774.db2.gz ZKIMDSJVNKXMKF-VHSXEESVSA-P 0 0 338.261 2.411 50 30 EEEARN C=CCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000079507 462541088 /nfs/dbraw/zinc/54/10/88/462541088.db2.gz YTCOAKPNLWIBQT-UHFFFAOYSA-N 0 0 342.424 2.210 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000381168 462558284 /nfs/dbraw/zinc/55/82/84/462558284.db2.gz AGBBFQVUQLAPOB-UKRRQHHQSA-N 0 0 346.339 2.058 50 30 EEEARN COc1cccc(CN(C)S(=O)(=O)c2ccccc2C#N)c1OC ZINC000005938518 462672494 /nfs/dbraw/zinc/67/24/94/462672494.db2.gz AFSVESJFAPIMRN-UHFFFAOYSA-N 0 0 346.408 2.396 50 30 EEEARN O=S(=O)(NCC#CCN1CCc2ccccc2C1)c1cccs1 ZINC000075165078 462690204 /nfs/dbraw/zinc/69/02/04/462690204.db2.gz KPLIEIDDMKTXBG-UHFFFAOYSA-N 0 0 346.477 2.088 50 30 EEEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(N)=O ZINC000006728920 462700715 /nfs/dbraw/zinc/70/07/15/462700715.db2.gz HGVBUNSJNASOML-UHFFFAOYSA-N 0 0 332.429 2.183 50 30 EEEARN C=CCn1c2cc(OC)c(OC)cc2c(=O)n(-c2ccccc2)c1=O ZINC000006759876 462703165 /nfs/dbraw/zinc/70/31/65/462703165.db2.gz CZUDFAZTNBDARE-UHFFFAOYSA-N 0 0 338.363 2.356 50 30 EEEARN C=CCNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 ZINC000008316663 462777848 /nfs/dbraw/zinc/77/78/48/462777848.db2.gz APIPKENAMYKHJZ-UHFFFAOYSA-N 0 0 329.253 2.028 50 30 EEEARN CCc1cc(N(C)CC(=O)N(C)C)n2c3ccccc3nc2c1C#N ZINC000008338085 462780287 /nfs/dbraw/zinc/78/02/87/462780287.db2.gz KPKKXNQUCOENRC-UHFFFAOYSA-N 0 0 335.411 2.446 50 30 EEEARN N#Cc1ccc(OCCSc2nnnn2-c2ccc(O)cc2)cc1 ZINC000012778920 462868643 /nfs/dbraw/zinc/86/86/43/462868643.db2.gz GSFITBDNKUEGPX-UHFFFAOYSA-N 0 0 339.380 2.411 50 30 EEEARN Fc1cnc(N=NCc2c[nH]c3ccccc23)nc1N1CCOCC1 ZINC000066318416 462874111 /nfs/dbraw/zinc/87/41/11/462874111.db2.gz CKHRWRGRXBDZBY-FBHDLOMBSA-N 0 0 340.362 2.380 50 30 EEEARN CN1CCc2c(C#N)c(N3CCCC3)nc(NC[C@@H]3CCCO3)c2C1 ZINC000013815063 462905077 /nfs/dbraw/zinc/90/50/77/462905077.db2.gz LHSWENZCBXDEPN-AWEZNQCLSA-N 0 0 341.459 2.132 50 30 EEEARN COc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2C)cc1O ZINC000032575697 463381932 /nfs/dbraw/zinc/38/19/32/463381932.db2.gz DQTUTDSNYZRFNI-YVLHZVERSA-N 0 0 334.397 2.330 50 30 EEEARN O=S(=O)(N/N=C\c1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000032575689 463382085 /nfs/dbraw/zinc/38/20/85/463382085.db2.gz FUBFJNUJTBFCHQ-PXNMLYILSA-N 0 0 328.752 2.497 50 30 EEEARN C#CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000032825562 463397603 /nfs/dbraw/zinc/39/76/03/463397603.db2.gz RCZJQXWHWOVBEF-INIZCTEOSA-N 0 0 326.440 2.336 50 30 EEEARN CCC(C)(C)NC(=NS(C)(=O)=O)Nc1ccc(OC)c(OC)c1 ZINC000033116400 463412923 /nfs/dbraw/zinc/41/29/23/463412923.db2.gz QMIHAKNBUBBQJT-UHFFFAOYSA-N 0 0 343.449 2.210 50 30 EEEARN COc1ccccc1CNC(=NS(C)(=O)=O)Nc1ccccc1 ZINC000033116435 463413171 /nfs/dbraw/zinc/41/31/71/463413171.db2.gz ULBUBYWCCQPBEX-UHFFFAOYSA-N 0 0 333.413 2.213 50 30 EEEARN CCOC(=O)[C@@H]1CCc2nc(N)c(C#N)c(-c3cc(CC)[nH]n3)c2C1 ZINC000071758841 463421723 /nfs/dbraw/zinc/42/17/23/463421723.db2.gz GMMZGWOCDOWYFL-SNVBAGLBSA-N 0 0 339.399 2.156 50 30 EEEARN CN1CCN(c2ncc3c(c2C#N)N(Cc2ccccc2)CC3)CC1 ZINC000033868768 463425879 /nfs/dbraw/zinc/42/58/79/463425879.db2.gz ABSNOEAXXXQIOL-UHFFFAOYSA-N 0 0 333.439 2.268 50 30 EEEARN N#Cc1cccc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)c1 ZINC000225634510 464176261 /nfs/dbraw/zinc/17/62/61/464176261.db2.gz QKWKSLNTFHDCDW-INIZCTEOSA-N 0 0 349.346 2.008 50 30 EEEARN C=CCn1cnnc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000008719208 519284728 /nfs/dbraw/zinc/28/47/28/519284728.db2.gz IFHFFEXVPGMHBA-UHFFFAOYSA-N 0 0 331.401 2.153 50 30 EEEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCC#N ZINC000030813983 522008586 /nfs/dbraw/zinc/00/85/86/522008586.db2.gz URNDLTHTKODDFL-NVMNQCDNSA-N 0 0 327.300 2.347 50 30 EEEARN N#CC1(NC(=O)CSc2nncn2-c2ccccc2F)CCCC1 ZINC000004891134 526438352 /nfs/dbraw/zinc/43/83/52/526438352.db2.gz CCHYZRFPTNTSFH-UHFFFAOYSA-N 0 0 345.403 2.451 50 30 EEEARN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H]2[C@H](O)C[C@@H]2C1 ZINC001772818368 1410372531 /nfs/dbraw/zinc/37/25/31/1410372531.db2.gz RDKUDPDXVKYDBO-KWCYVHTRSA-N 0 0 348.449 2.083 50 30 EEEARN CC[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccnn1C ZINC000952986371 796152910 /nfs/dbraw/zinc/15/29/10/796152910.db2.gz LSVKXTYCFPHMQX-MRXNPFEDSA-N 0 0 325.412 2.424 50 30 EEEARN C=C(C)COc1cccc(C(=O)N[C@@H](COC)c2ccnn2C)c1 ZINC000055308525 214304929 /nfs/dbraw/zinc/30/49/29/214304929.db2.gz AMQOLPZVTZCURS-INIZCTEOSA-N 0 0 329.400 2.493 50 30 EEEARN CCCN(CC1CC1)C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000003331520 210009554 /nfs/dbraw/zinc/00/95/54/210009554.db2.gz XEFJZOIEZFAALI-UHFFFAOYSA-N 0 0 330.384 2.129 50 30 EEEARN CCc1c(C)nn(CCn2ccc3nc(O)c(C#N)cc3c2=O)c1C ZINC000067743261 215201036 /nfs/dbraw/zinc/20/10/36/215201036.db2.gz GIHICVFJFABUTJ-UHFFFAOYSA-N 0 0 337.383 2.050 50 30 EEEARN Cc1nnc([C@@]23COC[C@@H]2CN(c2nc(C)c(C#N)cc2Cl)C3)o1 ZINC000685941422 539989809 /nfs/dbraw/zinc/98/98/09/539989809.db2.gz WYGIZYVZIFFJRF-LRDDRELGSA-N 0 0 345.790 2.011 50 30 EEEARN CCOC(=O)COc1nc(C)c(Br)c(COC)c1C#N ZINC000000121451 209435668 /nfs/dbraw/zinc/43/56/68/209435668.db2.gz BGUJCHGAJOTXGD-UHFFFAOYSA-N 0 0 343.177 2.113 50 30 EEEARN N#Cc1c2c(sc1-n1cccc1/C=N/NC(N)=S)CCCC2 ZINC000000068023 209397901 /nfs/dbraw/zinc/39/79/01/209397901.db2.gz OUFZEWRFDKATDT-GIJQJNRQSA-N 0 0 329.454 2.456 50 30 EEEARN Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072475258 216252777 /nfs/dbraw/zinc/25/27/77/216252777.db2.gz IPVRRRZKHRFCRZ-UHFFFAOYSA-N 0 0 328.416 2.058 50 30 EEEARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(C#N)ccc1F ZINC000010927012 211196273 /nfs/dbraw/zinc/19/62/73/211196273.db2.gz XNEHGKGHKZCHGK-NSHDSACASA-N 0 0 345.399 2.296 50 30 EEEARN CCc1ccc(-c2nnn(CC(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000007040742 208574556 /nfs/dbraw/zinc/57/45/56/208574556.db2.gz VHFYVZROZQIMPW-UHFFFAOYSA-N 0 0 332.367 2.413 50 30 EEEARN COc1ccc(C(=O)O/N=C2\c3ccccc3N(C)C2=O)cc1OC ZINC000004559236 533351326 /nfs/dbraw/zinc/35/13/26/533351326.db2.gz ACHFOCGLAZZWOA-KNTRCKAVSA-N 0 0 340.335 2.241 50 30 EEEARN N#CC1(NC(=O)CN2CCN(c3ccccc3Cl)CC2)CCCC1 ZINC000034858806 132388375 /nfs/dbraw/zinc/38/83/75/132388375.db2.gz XZHBCIYRBAERJT-UHFFFAOYSA-N 0 0 346.862 2.415 50 30 EEEARN COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)ccc1O ZINC000001429566 277388805 /nfs/dbraw/zinc/38/88/05/277388805.db2.gz RBOXPDYRAXWZAE-GFCCVEGCSA-N 0 0 330.384 2.200 50 30 EEEARN COc1nccc(N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1C#N ZINC000077487325 278093196 /nfs/dbraw/zinc/09/31/96/278093196.db2.gz DNWRXPBAJSMKNS-UHFFFAOYSA-N 0 0 336.395 2.432 50 30 EEEARN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2c(C(N)=O)cnn21 ZINC000040267542 295386291 /nfs/dbraw/zinc/38/62/91/295386291.db2.gz JMIBRDUNFHNCNZ-MRXNPFEDSA-N 0 0 338.367 2.013 50 30 EEEARN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229219866 464194439 /nfs/dbraw/zinc/19/44/39/464194439.db2.gz DNUBYVQBTSGRIX-HUUCEWRRSA-N 0 0 329.448 2.320 50 30 EEEARN CCOc1cc(C(=O)N(CC#N)CC#N)cc(OCC)c1OCC ZINC000000030215 462539929 /nfs/dbraw/zinc/53/99/29/462539929.db2.gz NTLTXWSXOXRWHM-UHFFFAOYSA-N 0 0 331.372 2.372 50 30 EEEARN COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000000381120 462557833 /nfs/dbraw/zinc/55/78/33/462557833.db2.gz KBGAOLYEZDMEMH-HOCLYGCPSA-N 0 0 331.368 2.159 50 30 EEEARN N#Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1 ZINC000002647136 462597732 /nfs/dbraw/zinc/59/77/32/462597732.db2.gz KYTQBXCLMCSDPV-UHFFFAOYSA-N 0 0 337.379 2.412 50 30 EEEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccccc2)c(O)c1O ZINC000003044871 462610293 /nfs/dbraw/zinc/61/02/93/462610293.db2.gz IOLKNIWFDVCXQV-LZYBPNLTSA-N 0 0 328.353 2.233 50 30 EEEARN C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000004192114 462629530 /nfs/dbraw/zinc/62/95/30/462629530.db2.gz JKCQZOMLVXRUMF-STQMWFEESA-N 0 0 342.873 2.099 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccccc1OCC ZINC000004716212 462637041 /nfs/dbraw/zinc/63/70/41/462637041.db2.gz NZLUNQKSQAEUPW-HNNXBMFYSA-N 0 0 341.371 2.090 50 30 EEEARN COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc(Cl)c1O ZINC000005853817 462670707 /nfs/dbraw/zinc/67/07/07/462670707.db2.gz IWIRAPRROYTNEH-GFCCVEGCSA-N 0 0 326.805 2.436 50 30 EEEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000006315660 462681607 /nfs/dbraw/zinc/68/16/07/462681607.db2.gz WNMFFNOKNGCIIR-UHFFFAOYSA-N 0 0 347.330 2.195 50 30 EEEARN C=CCN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 ZINC000007991010 462762054 /nfs/dbraw/zinc/76/20/54/462762054.db2.gz RCBCZQLPDWILLA-ZDUSSCGKSA-N 0 0 348.200 2.085 50 30 EEEARN Cc1nnc(N2CC[C@H](CNc3ccc(C#N)cn3)C2)c(C#N)c1C ZINC000065496647 462781846 /nfs/dbraw/zinc/78/18/46/462781846.db2.gz WWKKBOOHVBSWOH-OAHLLOKOSA-N 0 0 333.399 2.170 50 30 EEEARN CCCN1CCC[C@@]2(CCN(c3ccnc(OC)c3C#N)C2)C1=O ZINC000091319941 462873005 /nfs/dbraw/zinc/87/30/05/462873005.db2.gz RMMIPMMFGJEVPK-SFHVURJKSA-N 0 0 328.416 2.191 50 30 EEEARN COc1ccc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000014247723 462921427 /nfs/dbraw/zinc/92/14/27/462921427.db2.gz ODJUHATXHGBALK-UHFFFAOYSA-N 0 0 349.434 2.454 50 30 EEEARN CC1=C/C(=N\OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC1=O ZINC000015856814 462965403 /nfs/dbraw/zinc/96/54/03/462965403.db2.gz XGFXABCFSLSADL-FYWRMAATSA-N 0 0 336.325 2.131 50 30 EEEARN O=C1N/C(=N\N=C/c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000016755484 462989918 /nfs/dbraw/zinc/98/99/18/462989918.db2.gz ZZLUSLRYGSCJKP-WPBJZHHJSA-N 0 0 344.352 2.352 50 30 EEEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCC(C(N)=O)CC1 ZINC000016768502 462990269 /nfs/dbraw/zinc/99/02/69/462990269.db2.gz SWYMANFNKWJACV-ONEGZZNKSA-N 0 0 328.397 2.480 50 30 EEEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccccn1 ZINC000016956072 462991447 /nfs/dbraw/zinc/99/14/47/462991447.db2.gz SQEALKIOWACUMB-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN COc1ccc(/C=C/C(=O)C(C(N)=O)=C2SCS2)c(OC)c1 ZINC000051329737 463031796 /nfs/dbraw/zinc/03/17/96/463031796.db2.gz MHAGNUMRXXKBOE-GQCTYLIASA-N 0 0 337.422 2.421 50 30 EEEARN Cc1nn(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(=O)c(C#N)c1C ZINC000029502387 463259637 /nfs/dbraw/zinc/25/96/37/463259637.db2.gz DLBFEIULFXGARL-CYBMUJFWSA-N 0 0 342.374 2.091 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000029585820 463262868 /nfs/dbraw/zinc/26/28/68/463262868.db2.gz SDQNLCJXHWZGMS-UHFFFAOYSA-N 0 0 346.394 2.325 50 30 EEEARN N#Cc1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N ZINC000100593668 463374204 /nfs/dbraw/zinc/37/42/04/463374204.db2.gz GCRZDZKWKPIVGJ-UHFFFAOYSA-N 0 0 341.374 2.243 50 30 EEEARN N#CC(C(=O)NCc1ccccc1)=C(O)C=Cc1ccc2c(c1)OCO2 ZINC000104257552 463410417 /nfs/dbraw/zinc/41/04/17/463410417.db2.gz TVFDWZHBCNKNCX-QKIRZYONSA-N 0 0 348.358 2.454 50 30 EEEARN CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1C#N ZINC000071767360 463424570 /nfs/dbraw/zinc/42/45/70/463424570.db2.gz JMIDAGKGKUISCB-VKAVYKQESA-N 0 0 331.357 2.008 50 30 EEEARN Cc1ccc(-c2noc(CNC(=O)N3CCC(C#N)CC3)n2)cc1 ZINC000534588977 468267116 /nfs/dbraw/zinc/26/71/16/468267116.db2.gz FHAVJBLMVYEFFR-UHFFFAOYSA-N 0 0 325.372 2.490 50 30 EEEARN C=CCN1C[C@@H](C(=O)N(CC)CCOc2ccccc2F)CCC1=O ZINC000055387467 518871108 /nfs/dbraw/zinc/87/11/08/518871108.db2.gz JCKRQTIGZMIIJZ-HNNXBMFYSA-N 0 0 348.418 2.478 50 30 EEEARN C=CCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000002966442 518887910 /nfs/dbraw/zinc/88/79/10/518887910.db2.gz KVXAPFYLIVCPJB-UHFFFAOYSA-N 0 0 348.399 2.323 50 30 EEEARN Cc1ccc(N(CCC#N)C(=O)Cn2cnc([N+](=O)[O-])c2)cc1C ZINC000031804818 524898367 /nfs/dbraw/zinc/89/83/67/524898367.db2.gz PACMQSSTNJJIBU-UHFFFAOYSA-N 0 0 327.344 2.355 50 30 EEEARN C=CCNC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000011934358 526658193 /nfs/dbraw/zinc/65/81/93/526658193.db2.gz SQMPZQYCSHDQPL-UHFFFAOYSA-N 0 0 328.412 2.382 50 30 EEEARN C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@H](COC)C1 ZINC000952961202 796077699 /nfs/dbraw/zinc/07/76/99/796077699.db2.gz XFVVKPNZUAULFK-AWEZNQCLSA-N 0 0 344.502 2.339 50 30 EEEARN CCc1nc(SCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 ZINC000009246871 201771234 /nfs/dbraw/zinc/77/12/34/201771234.db2.gz USRCPNIZNNVPKJ-UHFFFAOYSA-N 0 0 345.468 2.345 50 30 EEEARN CCOC(=O)C1=C(C)NC(=Cc2cc(OC)c(OC)c(OC)c2)C1=O ZINC000019859105 202024389 /nfs/dbraw/zinc/02/43/89/202024389.db2.gz OKRJZJPCAGJAJR-GHXNOFRVSA-N 0 0 347.367 2.063 50 30 EEEARN N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccc(F)cc2)c1=O ZINC000002204494 283114903 /nfs/dbraw/zinc/11/49/03/283114903.db2.gz PVVMARQVVLPOJG-UHFFFAOYSA-N 0 0 346.321 2.068 50 30 EEEARN N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cccs2)CC1 ZINC000023732709 202109019 /nfs/dbraw/zinc/10/90/19/202109019.db2.gz VRSSDFUJPJMJQX-UHFFFAOYSA-N 0 0 347.465 2.126 50 30 EEEARN N#Cc1ccccc1COC(=O)CCn1cnc2ccccc2c1=O ZINC000026128544 202138651 /nfs/dbraw/zinc/13/86/51/202138651.db2.gz PUZUQKRBYFNJNJ-UHFFFAOYSA-N 0 0 333.347 2.402 50 30 EEEARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000030942905 202201454 /nfs/dbraw/zinc/20/14/54/202201454.db2.gz NAWBNOOKTPXHMP-OAHLLOKOSA-N 0 0 336.395 2.069 50 30 EEEARN C=CCn1c(=O)c2ccccc2nc1S[C@@H]1CCCCNC1=O ZINC000032871678 212859619 /nfs/dbraw/zinc/85/96/19/212859619.db2.gz VCGVOIAHKLVWDS-CQSZACIVSA-N 0 0 329.425 2.343 50 30 EEEARN N#Cc1nc(CF)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000035681906 202307939 /nfs/dbraw/zinc/30/79/39/202307939.db2.gz WWRSBARDTUKZJR-UHFFFAOYSA-N 0 0 344.346 2.067 50 30 EEEARN N#Cc1nccnc1O[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000225481106 241886674 /nfs/dbraw/zinc/88/66/74/241886674.db2.gz VXHOKSCJLPGWJQ-ROJDOSBLSA-N 0 0 334.379 2.431 50 30 EEEARN COC(=O)CSCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004105570 201589217 /nfs/dbraw/zinc/58/92/17/201589217.db2.gz AOZGDKSSIPBKTO-JYRVWZFOSA-N 0 0 342.333 2.197 50 30 EEEARN CCOC(=O)[C@H]1CCc2nc(N)c(C#N)c(-c3cc(CC)[nH]n3)c2C1 ZINC000071758840 203109214 /nfs/dbraw/zinc/10/92/14/203109214.db2.gz GMMZGWOCDOWYFL-JTQLQIEISA-N 0 0 339.399 2.156 50 30 EEEARN COc1ccccc1N1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C)C1 ZINC000072411249 203217103 /nfs/dbraw/zinc/21/71/03/203217103.db2.gz STYJYIPIAWSTIG-CQSZACIVSA-N 0 0 336.395 2.313 50 30 EEEARN CC[C@@H](c1ccnn1C)n1cc(-c2cc(C#CCO)cs2)nn1 ZINC000091551838 218021679 /nfs/dbraw/zinc/02/16/79/218021679.db2.gz GYRWZIGDJWSAFP-AWEZNQCLSA-N 0 0 327.413 2.083 50 30 EEEARN C=CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1ccccn1 ZINC000017071652 258016313 /nfs/dbraw/zinc/01/63/13/258016313.db2.gz FKCWWTDCCYIQIX-UHFFFAOYSA-N 0 0 343.372 2.381 50 30 EEEARN COc1cccc(C(=N)NOC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000013523059 258056117 /nfs/dbraw/zinc/05/61/17/258056117.db2.gz BBXVQKBAZTWSBD-UHFFFAOYSA-N 0 0 329.312 2.010 50 30 EEEARN N#Cc1cnn2cc(-c3ccc(C(=O)NC[C@H]4CCOC4)cc3)cnc12 ZINC000534649948 468270894 /nfs/dbraw/zinc/27/08/94/468270894.db2.gz VQSUUYIOPAWFGC-CYBMUJFWSA-N 0 0 347.378 2.034 50 30 EEEARN C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000001236221 462578250 /nfs/dbraw/zinc/57/82/50/462578250.db2.gz ACICRKOLNTYEII-GJZGRUSLSA-N 0 0 336.482 2.062 50 30 EEEARN CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 ZINC000005216341 462650020 /nfs/dbraw/zinc/65/00/20/462650020.db2.gz SDBGKGISJZKUGD-JJLJGCLUSA-N 0 0 338.454 2.006 50 30 EEEARN CN(C)S(=O)(=O)c1ccc2oc(SCCCC#N)nc2c1 ZINC000007254290 462728128 /nfs/dbraw/zinc/72/81/28/462728128.db2.gz FKCXSEFDJWLMPD-UHFFFAOYSA-N 0 0 325.415 2.474 50 30 EEEARN Cc1sc2ncn(CC(=O)N[C@@](C)(C#N)C(C)C)c(=O)c2c1C ZINC000007382823 462732806 /nfs/dbraw/zinc/73/28/06/462732806.db2.gz CXEHALCDFYPNJL-INIZCTEOSA-N 0 0 332.429 2.129 50 30 EEEARN Cc1nc2ccccc2n1CCNC(=O)COc1ccc(C#N)cc1 ZINC000008134840 462769732 /nfs/dbraw/zinc/76/97/32/462769732.db2.gz LLPDEPZLVKUYJB-UHFFFAOYSA-N 0 0 334.379 2.412 50 30 EEEARN C[C@@H]1CCC[C@@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000009805727 462807079 /nfs/dbraw/zinc/80/70/79/462807079.db2.gz RLYPQFNJRZEZOM-CKEIUWERSA-N 0 0 343.427 2.454 50 30 EEEARN N#CC1(NC(=O)CNc2ccccc2C(=O)NC2CC2)CCCCC1 ZINC000010763249 462822999 /nfs/dbraw/zinc/82/29/99/462822999.db2.gz SLQPUPHKCSUQNP-UHFFFAOYSA-N 0 0 340.427 2.333 50 30 EEEARN CCc1nnc(NC(=O)CCc2c(C)nn(CCC#N)c2C)s1 ZINC000013017170 462881821 /nfs/dbraw/zinc/88/18/21/462881821.db2.gz ZKIGWIOIIZUDCB-UHFFFAOYSA-N 0 0 332.433 2.399 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000013582998 462896628 /nfs/dbraw/zinc/89/66/28/462896628.db2.gz NMKYUBDIARGHNB-FRRDWIJNSA-N 0 0 340.383 2.024 50 30 EEEARN COc1nccc(N2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1C#N ZINC000091932230 462914877 /nfs/dbraw/zinc/91/48/77/462914877.db2.gz ZSYLNGGLOJUNJW-IBGZPJMESA-N 0 0 340.427 2.191 50 30 EEEARN N#Cc1ncn(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000014144252 462915077 /nfs/dbraw/zinc/91/50/77/462915077.db2.gz NTIKFWJGPGIAJQ-MRXNPFEDSA-N 0 0 341.371 2.256 50 30 EEEARN COCCN1C(N)=C(c2nc3ccccc3[nH]2)C(=O)[C@@H]1c1ccccc1 ZINC000102901397 463392428 /nfs/dbraw/zinc/39/24/28/463392428.db2.gz LQUCUKUKCKBQSG-KRWDZBQOSA-N 0 0 348.406 2.463 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000104055547 463408579 /nfs/dbraw/zinc/40/85/79/463408579.db2.gz CEQIFSRTPJYEOJ-ZFWWWQNUSA-N 0 0 334.335 2.247 50 30 EEEARN O=C1C=C(NC2=C[C@@H]3O[C@H](c4ccccc4)OC[C@H]3OC2=O)CCC1 ZINC000034828741 463429775 /nfs/dbraw/zinc/42/97/75/463429775.db2.gz WIDOMGFQDHPMIW-YQVWRLOYSA-N 0 0 341.363 2.136 50 30 EEEARN CC1(C)C[C@@H](CN2CCN(c3ccccc3C#N)C(=O)C2)CCO1 ZINC000082137630 463518137 /nfs/dbraw/zinc/51/81/37/463518137.db2.gz CPTMEQULMYTALZ-HNNXBMFYSA-N 0 0 327.428 2.412 50 30 EEEARN Cc1c(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cc(C#N)n1C ZINC000223226847 464139266 /nfs/dbraw/zinc/13/92/66/464139266.db2.gz YKITVLUZNSGBGR-IBGZPJMESA-N 0 0 339.443 2.251 50 30 EEEARN COc1ccc(/C=N/[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004371448 523451621 /nfs/dbraw/zinc/45/16/21/523451621.db2.gz UGPNXGYAEZANPN-NGJGBPPBSA-N 0 0 330.340 2.117 50 30 EEEARN Cc1cc(C)n(CCCNC(=O)c2ccc(C#CC(C)(C)O)o2)n1 ZINC000244787510 524521879 /nfs/dbraw/zinc/52/18/79/524521879.db2.gz PYJSUOFVGJIQPZ-UHFFFAOYSA-N 0 0 329.400 2.035 50 30 EEEARN C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002468941 676484677 /nfs/dbraw/zinc/48/46/77/676484677.db2.gz SJTKZGOTDFJUKA-HUUCEWRRSA-N 0 0 329.356 2.418 50 30 EEEARN CSC(=NS(=O)(=O)c1cccs1)NCc1cccnc1 ZINC000006146477 1204510824 /nfs/dbraw/zinc/51/08/24/1204510824.db2.gz VDXIPSGNYLGPLX-UHFFFAOYSA-N 0 0 327.456 2.341 50 30 EEEARN C=CCOc1ccc(C[N@@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cc1OC ZINC000901951132 1236700838 /nfs/dbraw/zinc/70/08/38/1236700838.db2.gz BWNOWPWOEHGOON-BEFAXECRSA-N 0 0 347.411 2.183 50 30 EEEARN N#Cc1cc2c(nc1N1CCC(Cn3cnccc3=O)CC1)CCCC2 ZINC000585636656 792890440 /nfs/dbraw/zinc/89/04/40/792890440.db2.gz LOCWVWOFFILVAA-UHFFFAOYSA-N 0 0 349.438 2.305 50 30 EEEARN COc1cccc(CNC(=O)COc2ccccc2C#N)c1OC ZINC000006750549 201694759 /nfs/dbraw/zinc/69/47/59/201694759.db2.gz JMTBRYLJBCRGRZ-UHFFFAOYSA-N 0 0 326.352 2.271 50 30 EEEARN N#Cc1ccc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000004251217 210153322 /nfs/dbraw/zinc/15/33/22/210153322.db2.gz NZVSWVDBWWJESS-UHFFFAOYSA-N 0 0 333.347 2.471 50 30 EEEARN C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004005739 210098633 /nfs/dbraw/zinc/09/86/33/210098633.db2.gz JLQPQZNXOIIXPL-STQMWFEESA-N 0 0 329.356 2.418 50 30 EEEARN Cc1ccccc1CCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000018104770 201993008 /nfs/dbraw/zinc/99/30/08/201993008.db2.gz GBPZUYDINJLSLE-UHFFFAOYSA-N 0 0 337.423 2.463 50 30 EEEARN Cc1cc(C)n(/N=C\c2c(O)ccc3ccccc32)c(=O)c1C(N)=O ZINC000019535084 202010679 /nfs/dbraw/zinc/01/06/79/202010679.db2.gz LQPFHENLTRTCEW-FBHDLOMBSA-N 0 0 335.363 2.305 50 30 EEEARN CSc1ccc(C=Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 ZINC000019618655 202015483 /nfs/dbraw/zinc/01/54/83/202015483.db2.gz QPQLBWNXLXSAMB-VCHYOVAHSA-N 0 0 348.453 2.121 50 30 EEEARN CSc1ccc(CNC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 ZINC000021354065 202064247 /nfs/dbraw/zinc/06/42/47/202064247.db2.gz YEUQVLXRMJBPRM-UHFFFAOYSA-N 0 0 341.436 2.375 50 30 EEEARN O=C(C(Br)=CNCCCn1ccnc1)C(F)(F)F ZINC000105904870 219590492 /nfs/dbraw/zinc/59/04/92/219590492.db2.gz RTNJJZOUMQXKQJ-SOFGYWHQSA-N 0 0 326.116 2.231 50 30 EEEARN CCn1c2ccccc2n(C[C@H](O)COc2ccc(C#N)cc2)c1=O ZINC000032885767 202239973 /nfs/dbraw/zinc/23/99/73/202239973.db2.gz YBTNZIQFAMITRD-HNNXBMFYSA-N 0 0 337.379 2.134 50 30 EEEARN CCOC(=O)c1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CCC3)cc1 ZINC000032985394 202246486 /nfs/dbraw/zinc/24/64/86/202246486.db2.gz SKJZYUCOLLSIKQ-UHFFFAOYSA-N 0 0 336.347 2.405 50 30 EEEARN Cn1c2ccccc2nc1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000033106661 202249779 /nfs/dbraw/zinc/24/97/79/202249779.db2.gz XABVNMUTZROSNY-UHFFFAOYSA-N 0 0 345.406 2.407 50 30 EEEARN CN(/N=C/c1ccccc1[N+](=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000000182780 201445501 /nfs/dbraw/zinc/44/55/01/201445501.db2.gz JWFCIYUATFIWCR-MHWRWJLKSA-N 0 0 344.352 2.010 50 30 EEEARN COC(C)(C)C(=O)N1C[C@H](Nc2ccc(C#N)cn2)[C@@H](C2CC2)C1 ZINC000092020411 203663569 /nfs/dbraw/zinc/66/35/69/203663569.db2.gz RWZXYBNHTKNSFY-CABCVRRESA-N 0 0 328.416 2.027 50 30 EEEARN CCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(O)cc2O)cc1 ZINC000017068799 211950057 /nfs/dbraw/zinc/95/00/57/211950057.db2.gz CCQMVXAKPNQECF-BOPFTXTBSA-N 0 0 334.397 2.363 50 30 EEEARN C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccccc1C#N ZINC000008010184 205848271 /nfs/dbraw/zinc/84/82/71/205848271.db2.gz LFBQQXWMXSLZIJ-CYBMUJFWSA-N 0 0 349.346 2.379 50 30 EEEARN N#Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000032994633 274922103 /nfs/dbraw/zinc/92/21/03/274922103.db2.gz OBVBWCWONLEKIK-UHFFFAOYSA-N 0 0 325.280 2.490 50 30 EEEARN C#CCN1c2ccccc2C(=O)N2[C@H]1c1ccccc1C(=O)N2CC#C ZINC000004708742 277688385 /nfs/dbraw/zinc/68/83/85/277688385.db2.gz ABEXROUWUJSZKJ-IBGZPJMESA-N 0 0 341.370 2.285 50 30 EEEARN CCn1ncc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1C ZINC000005489538 288758825 /nfs/dbraw/zinc/75/88/25/288758825.db2.gz XUXCBZSUJGNRQG-MRXNPFEDSA-N 0 0 329.400 2.352 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000000377300 462557148 /nfs/dbraw/zinc/55/71/48/462557148.db2.gz FNEAMGZQLBPEED-CYBMUJFWSA-N 0 0 335.306 2.429 50 30 EEEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000000079054 462541301 /nfs/dbraw/zinc/54/13/01/462541301.db2.gz FKXMLLYKADPKNS-LBPRGKRZSA-N 0 0 340.408 2.451 50 30 EEEARN CC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002471681 462593922 /nfs/dbraw/zinc/59/39/22/462593922.db2.gz JNADRNQPTMRGAE-OAHLLOKOSA-N 0 0 341.285 2.446 50 30 EEEARN CCCc1cc(=O)[nH]c(NN=Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000003947100 462626709 /nfs/dbraw/zinc/62/67/09/462626709.db2.gz IPHIBKPLWPIGFS-CXUHLZMHSA-N 0 0 331.332 2.085 50 30 EEEARN Cn1c2ccccc2s/c1=N\N=C\c1ccc(OCC(N)=O)cc1 ZINC000004818984 462638525 /nfs/dbraw/zinc/63/85/25/462638525.db2.gz VWTSEIJOYQPWDD-HCDAPJTOSA-N 0 0 340.408 2.039 50 30 EEEARN C=CCNC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000005305158 462654506 /nfs/dbraw/zinc/65/45/06/462654506.db2.gz GVWUABATCQCOSP-UHFFFAOYSA-N 0 0 337.354 2.500 50 30 EEEARN N#Cc1ccc(COC(=O)CCN2C(=O)COc3ccccc32)cc1 ZINC000006940681 462712336 /nfs/dbraw/zinc/71/23/36/462712336.db2.gz VAHPPUMPVJDHKV-UHFFFAOYSA-N 0 0 336.347 2.417 50 30 EEEARN Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1C(F)(F)F ZINC000007061744 462719856 /nfs/dbraw/zinc/71/98/56/462719856.db2.gz TWQCXAIZGNENCG-UHFFFAOYSA-N 0 0 341.318 2.436 50 30 EEEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000007726757 462747371 /nfs/dbraw/zinc/74/73/71/462747371.db2.gz GPFRMFYEOSMZQC-UHFFFAOYSA-N 0 0 341.392 2.486 50 30 EEEARN COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1ccccc1 ZINC000008828966 462795509 /nfs/dbraw/zinc/79/55/09/462795509.db2.gz AMJALWSLNUODKC-VCHYOVAHSA-N 0 0 329.381 2.082 50 30 EEEARN C=CC[C@]1(CO)CCCN(S(=O)(=O)Cc2ccccc2F)C1 ZINC000091896190 462911655 /nfs/dbraw/zinc/91/16/55/462911655.db2.gz GOJYAGZWTFRHBE-INIZCTEOSA-N 0 0 327.421 2.306 50 30 EEEARN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014737263 462931267 /nfs/dbraw/zinc/93/12/67/462931267.db2.gz JBQGIAQEIGKUNC-UHFFFAOYSA-N 0 0 331.353 2.287 50 30 EEEARN C=CCCC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 ZINC000095386135 463073727 /nfs/dbraw/zinc/07/37/27/463073727.db2.gz VIKGXQIPYCIVHV-OAHLLOKOSA-N 0 0 342.447 2.041 50 30 EEEARN C[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)N1CCOCC1 ZINC000096346191 463236312 /nfs/dbraw/zinc/23/63/12/463236312.db2.gz WJAMKUCSTSGICM-LBPRGKRZSA-N 0 0 330.363 2.485 50 30 EEEARN CNC(=O)[C@H](C#N)C(=O)CCCc1ccc(Br)s1 ZINC000102700102 463390149 /nfs/dbraw/zinc/39/01/49/463390149.db2.gz UZHLXVDPWNMFPS-SECBINFHSA-N 0 0 329.219 2.288 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)c1OC ZINC000103502709 463403823 /nfs/dbraw/zinc/40/38/23/463403823.db2.gz MAGAWHARMBZCAR-MYSGNRETSA-N 0 0 328.368 2.048 50 30 EEEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cc(C#CCO)cs1 ZINC000071497857 463416191 /nfs/dbraw/zinc/41/61/91/463416191.db2.gz JEWZVHSWZHVMIR-UHFFFAOYSA-N 0 0 349.419 2.317 50 30 EEEARN C=CCOc1ccccc1/C=C1/C(=O)N(C)C(=O)N(CCC)C1=O ZINC000575443037 468143688 /nfs/dbraw/zinc/14/36/88/468143688.db2.gz PIYKTVJPHKIBJF-OWBHPGMISA-N 0 0 328.368 2.465 50 30 EEEARN COc1ccccc1CC(=N)NOC(=O)c1ccc2c(c1)OCO2 ZINC000018173074 524377511 /nfs/dbraw/zinc/37/75/11/524377511.db2.gz SDKCTMRGFQYBEZ-UHFFFAOYSA-N 0 0 328.324 2.305 50 30 EEEARN C#CCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OCC ZINC000002818635 678276768 /nfs/dbraw/zinc/27/67/68/678276768.db2.gz ZZCQVAIVBGHEFW-UHFFFAOYSA-N 0 0 330.336 2.317 50 30 EEEARN O=C1Oc2ccccc2C(=O)C1=CNCc1nc(-c2ccco2)no1 ZINC000828327194 1204933703 /nfs/dbraw/zinc/93/37/03/1204933703.db2.gz IGEKIEUBITXLJO-DHZHZOJOSA-N 0 0 337.291 2.105 50 30 EEEARN C=C(C)COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)cc1 ZINC000952961658 796077783 /nfs/dbraw/zinc/07/77/83/796077783.db2.gz OWBNYYAMLIVIIU-KRWDZBQOSA-N 0 0 345.443 2.179 50 30 EEEARN CC#CCn1c2cc(C(=O)[O-])ccc2n(C[C@@H]2CCC[N@H+]2CC)c1=O ZINC000055283532 214301281 /nfs/dbraw/zinc/30/12/81/214301281.db2.gz ASXZXUHXLIAGJD-HNNXBMFYSA-N 0 0 341.411 2.009 50 30 EEEARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000010328789 201796855 /nfs/dbraw/zinc/79/68/55/201796855.db2.gz LBOAGELUFITUHR-UHFFFAOYSA-N 0 0 329.381 2.376 50 30 EEEARN COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(C#N)c1 ZINC000024350449 202115255 /nfs/dbraw/zinc/11/52/55/202115255.db2.gz FRRBPKNZVIRBRE-UHFFFAOYSA-N 0 0 342.376 2.096 50 30 EEEARN Cc1ccc(C)c(OC[C@H](O)Cn2nc(C)c(C)c(C#N)c2=O)c1C ZINC000028915743 202178632 /nfs/dbraw/zinc/17/86/32/202178632.db2.gz UCQLAHCJOARZLI-MRXNPFEDSA-N 0 0 341.411 2.097 50 30 EEEARN Cc1cc(C(=O)N2CC(C(=O)Nc3cc(Cl)ccc3C#N)C2)no1 ZINC000070810994 202337872 /nfs/dbraw/zinc/33/78/72/202337872.db2.gz IRZSDWXTNIABER-UHFFFAOYSA-N 0 0 344.758 2.219 50 30 EEEARN CCOc1cc(C#N)ccc1OCC(=O)NCc1ccnc(OC)c1 ZINC000036692911 202329396 /nfs/dbraw/zinc/32/93/96/202329396.db2.gz XHSJYUIOSXJJNB-UHFFFAOYSA-N 0 0 341.367 2.056 50 30 EEEARN C=CCNc1ncnc2c1CCN(C(=O)c1onc3ccccc31)CC2 ZINC000072462964 216245665 /nfs/dbraw/zinc/24/56/65/216245665.db2.gz VVMTYNLCOULVAC-UHFFFAOYSA-N 0 0 349.394 2.457 50 30 EEEARN CN(C)c1ncnc2c1CN(CCCOc1ccc(C#N)cc1)CC2 ZINC000097202335 201383915 /nfs/dbraw/zinc/38/39/15/201383915.db2.gz HQTDGIUFHOAERC-UHFFFAOYSA-N 0 0 337.427 2.241 50 30 EEEARN COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1C[C@H]1CCCO1 ZINC000000381130 201466716 /nfs/dbraw/zinc/46/67/16/201466716.db2.gz BWYNYTLNIVQSCS-MLGOLLRUSA-N 0 0 331.368 2.159 50 30 EEEARN COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)c(OC)c1 ZINC000102800672 204050346 /nfs/dbraw/zinc/05/03/46/204050346.db2.gz WTHSDQPIMUAVJH-IBOXJLQUSA-N 0 0 339.347 2.413 50 30 EEEARN C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCCCC)c1=O ZINC000012127857 211300017 /nfs/dbraw/zinc/30/00/17/211300017.db2.gz IVBRYHWDDFVLKE-CYBMUJFWSA-N 0 0 333.432 2.265 50 30 EEEARN C=CCOc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC ZINC000010268695 211159133 /nfs/dbraw/zinc/15/91/33/211159133.db2.gz LFMUNXOXWFFCPX-QGZVFWFLSA-N 0 0 340.379 2.216 50 30 EEEARN C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC ZINC000005042747 210372417 /nfs/dbraw/zinc/37/24/17/210372417.db2.gz ZWERCYSZBKSWFT-MRXNPFEDSA-N 0 0 346.383 2.451 50 30 EEEARN N#CCCN(C(=O)Cn1nccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000119734543 257974962 /nfs/dbraw/zinc/97/49/62/257974962.db2.gz JSYHSMVOJQRJDG-UHFFFAOYSA-N 0 0 333.735 2.392 50 30 EEEARN O=C1N/C(=N/S(=O)(=O)c2ccccc2)S/C1=C\c1cccnc1 ZINC000006140748 280276819 /nfs/dbraw/zinc/27/68/19/280276819.db2.gz RSYDPBQSNWRHDG-LCYFTJDESA-N 0 0 345.405 2.030 50 30 EEEARN Fc1ccccc1C=NN1C(=S)NNC1=C1N=NC2=C1CCC2 ZINC000005626308 294769990 /nfs/dbraw/zinc/76/99/90/294769990.db2.gz QWGHPUXPLFMXDV-CAOOACKPSA-N 0 0 328.376 2.467 50 30 EEEARN N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2sccc2N)cc1 ZINC000222736074 294935188 /nfs/dbraw/zinc/93/51/88/294935188.db2.gz RBAGBCPYQXKQEN-HUUCEWRRSA-N 0 0 343.408 2.168 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000203806 462547452 /nfs/dbraw/zinc/54/74/52/462547452.db2.gz CASIIJPPNUDTTI-CYBMUJFWSA-N 0 0 344.323 2.059 50 30 EEEARN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl ZINC000003346947 462617063 /nfs/dbraw/zinc/61/70/63/462617063.db2.gz CBYOFEVVNIXERF-UHFFFAOYSA-N 0 0 349.799 2.372 50 30 EEEARN Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C#N)cc1 ZINC000005172870 462648291 /nfs/dbraw/zinc/64/82/91/462648291.db2.gz DNRVECOTDLRJLQ-UHFFFAOYSA-N 0 0 337.379 2.309 50 30 EEEARN CN1C(=O)N(CC(=O)Nc2ccc(C#N)cc2)C(=O)C12CCCCC2 ZINC000006006493 462674439 /nfs/dbraw/zinc/67/44/39/462674439.db2.gz SFWFHHXMDOTQOQ-UHFFFAOYSA-N 0 0 340.383 2.094 50 30 EEEARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000009953440 462809632 /nfs/dbraw/zinc/80/96/32/462809632.db2.gz POOYMMZAQLLYBK-IBGZPJMESA-N 0 0 349.346 2.254 50 30 EEEARN C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2OC)C1 ZINC000091365235 462875437 /nfs/dbraw/zinc/87/54/37/462875437.db2.gz NTQOVTALYBSPQL-INIZCTEOSA-N 0 0 325.430 2.035 50 30 EEEARN C[C@H](Sc1nnnn1C(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000016290776 462974104 /nfs/dbraw/zinc/97/41/04/462974104.db2.gz SONLKJGFIRTMRN-NSHDSACASA-N 0 0 336.465 2.251 50 30 EEEARN C[C@H]1CCc2sc3ncnc(N4CCN(CC#N)CC4)c3c2C1 ZINC000019972626 463023798 /nfs/dbraw/zinc/02/37/98/463023798.db2.gz OTVCQSFXPFRHQP-LBPRGKRZSA-N 0 0 327.457 2.462 50 30 EEEARN COc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000026017761 463147929 /nfs/dbraw/zinc/14/79/29/463147929.db2.gz FLPLBQWLMHVCCA-LLVKDONJSA-N 0 0 340.335 2.456 50 30 EEEARN C=CCNC(=O)CCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 ZINC000035373363 463430912 /nfs/dbraw/zinc/43/09/12/463430912.db2.gz WQVOJJUGJRMEEE-UHFFFAOYSA-N 0 0 338.367 2.121 50 30 EEEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3C=C[C@@H]4[C@H]3[C@@H]3[C@H]2C=C[C@@H]3[C@@H]4O)cc1 ZINC000257359134 463789372 /nfs/dbraw/zinc/78/93/72/463789372.db2.gz YOVMTSGKEVCVEO-PKKJPQALSA-N 0 0 344.432 2.294 50 30 EEEARN Cc1cc(N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)nc(C)c1C#N ZINC000253378379 464996471 /nfs/dbraw/zinc/99/64/71/464996471.db2.gz CKCLDAYBLOFHJF-OKILXGFUSA-N 0 0 339.447 2.118 50 30 EEEARN C=CCN(Cc1ccccc1OC)C(=O)C1CCN(C(C)=O)CC1 ZINC000055281153 518786658 /nfs/dbraw/zinc/78/66/58/518786658.db2.gz MVFKRKIFHYWDOE-UHFFFAOYSA-N 0 0 330.428 2.468 50 30 EEEARN C=CCNC(=O)CSc1nnnn1-c1cccc2ccccc21 ZINC000005016343 518900060 /nfs/dbraw/zinc/90/00/60/518900060.db2.gz FJMRJCXXHFJULB-UHFFFAOYSA-N 0 0 325.397 2.210 50 30 EEEARN C=CCOc1ccc(Br)cc1/C=C1\NC(=S)NC1=O ZINC000004093725 519019017 /nfs/dbraw/zinc/01/90/17/519019017.db2.gz DPDGOPZCCCNPDV-YFHOEESVSA-N 0 0 339.214 2.359 50 30 EEEARN Cc1noc(C)c1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000003420696 526474278 /nfs/dbraw/zinc/47/42/78/526474278.db2.gz SOZWYPGZDCSXPV-UHFFFAOYSA-N 0 0 327.340 2.395 50 30 EEEARN CN(C)/C=N/c1c(C#N)n2c(c1C(=O)NCc1ccccc1)CCC2 ZINC000015724584 1225655753 /nfs/dbraw/zinc/65/57/53/1225655753.db2.gz CJMUIWIHVOIVLC-LPYMAVHISA-N 0 0 335.411 2.457 50 30 EEEARN C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1C(C)C ZINC000012075138 799757915 /nfs/dbraw/zinc/75/79/15/799757915.db2.gz PRSKOGAGBIZCRH-MRXNPFEDSA-N 0 0 333.476 2.099 50 30 EEEARN C=CCNC(=O)C[C@H](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000004704282 210253469 /nfs/dbraw/zinc/25/34/69/210253469.db2.gz LBUARZMWSRMMRW-HNNXBMFYSA-N 0 0 347.434 2.193 50 30 EEEARN COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(C)cc1 ZINC000013470922 201896752 /nfs/dbraw/zinc/89/67/52/201896752.db2.gz KLXPZXMGFWZKIO-VXLYETTFSA-N 0 0 343.408 2.390 50 30 aggregator EEEARN C=CCN(C(=O)C1CC1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004246 213055657 /nfs/dbraw/zinc/05/56/57/213055657.db2.gz ITKGPBCCMJEUFE-LBPRGKRZSA-N 0 0 332.400 2.414 50 30 EEEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)c1ccccc1 ZINC000034863337 202279399 /nfs/dbraw/zinc/27/93/99/202279399.db2.gz OTVQWMJUJFSYFC-UHFFFAOYSA-N 0 0 343.408 2.410 50 30 EEEARN Cc1oc(NC(=O)CN2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C ZINC000072270566 202360010 /nfs/dbraw/zinc/36/00/10/202360010.db2.gz KTARVILKNMLDLM-AWEZNQCLSA-N 0 0 341.415 2.320 50 30 EEEARN C#CCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 ZINC000022690915 212317206 /nfs/dbraw/zinc/31/72/06/212317206.db2.gz BXIXIPHUWOSQQK-SJLPKXTDSA-N 0 0 328.412 2.134 50 30 EEEARN CCOC(=O)C(C#N)=NNc1ccc(I)cc1 ZINC000000358193 201463611 /nfs/dbraw/zinc/46/36/11/201463611.db2.gz XZONIVBHDUGRDS-XNTDXEJSSA-N 0 0 343.124 2.146 50 30 EEEARN CN(CCC#N)C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000003317733 201566106 /nfs/dbraw/zinc/56/61/06/201566106.db2.gz LRJQTWQYNUPWCT-VMPITWQZSA-N 0 0 338.310 2.216 50 30 EEEARN C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000004701849 201613325 /nfs/dbraw/zinc/61/33/25/201613325.db2.gz AEPONBGLDZUAGO-SFQUDFHCSA-N 0 0 332.381 2.160 50 30 EEEARN N#Cc1cc2c(ccn(CCc3nc4cc(F)ccc4[nH]3)c2=O)nc1O ZINC000067872541 202942447 /nfs/dbraw/zinc/94/24/47/202942447.db2.gz MIVXJWKRLRREKD-UHFFFAOYSA-N 0 0 349.325 2.232 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl ZINC000100968108 204000538 /nfs/dbraw/zinc/00/05/38/204000538.db2.gz WJAIALNSNAKJTF-CHWSQXEVSA-N 0 0 343.770 2.101 50 30 EEEARN C=CC/N=c1\sc(C(=O)Nc2ccccc2)cc(=O)n1CC=C ZINC000015319479 211814607 /nfs/dbraw/zinc/81/46/07/211814607.db2.gz NJHYPYCGUGVZGJ-ZCXUNETKSA-N 0 0 327.409 2.435 50 30 EEEARN N#Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000003221699 206449416 /nfs/dbraw/zinc/44/94/16/206449416.db2.gz PGRDFPRFXPDDOM-UHFFFAOYSA-N 0 0 337.379 2.412 50 30 EEEARN C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000012379628 211359876 /nfs/dbraw/zinc/35/98/76/211359876.db2.gz OUXKPDIGWVAZJM-HNNXBMFYSA-N 0 0 341.411 2.199 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)ccc1OC ZINC000004066592 207084962 /nfs/dbraw/zinc/08/49/62/207084962.db2.gz LNFDCCFVCFDXQE-OAHLLOKOSA-N 0 0 348.424 2.226 50 30 EEEARN O=S1(=O)C[C@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000334158183 304812873 /nfs/dbraw/zinc/81/28/73/304812873.db2.gz WACGEWALAZOZOJ-VXNVDRBHSA-P 0 0 338.261 2.411 50 30 EEEARN N#Cc1cnc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cn1 ZINC000123513755 222288986 /nfs/dbraw/zinc/28/89/86/222288986.db2.gz GTVXHMNYUTTZJC-MRXNPFEDSA-N 0 0 343.818 2.487 50 30 EEEARN COc1cccc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2=O)c1 ZINC000085479340 462551515 /nfs/dbraw/zinc/55/15/15/462551515.db2.gz UAMKOPJTMAFZAP-UHFFFAOYSA-N 0 0 335.363 2.056 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000443739 462563610 /nfs/dbraw/zinc/56/36/10/462563610.db2.gz GFCXXUDGARUXQC-OAHLLOKOSA-N 0 0 339.307 2.479 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000549848 462570049 /nfs/dbraw/zinc/57/00/49/462570049.db2.gz ORZOBXWUPAGSNK-OAHLLOKOSA-N 0 0 339.307 2.479 50 30 EEEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/[C@H]2CCS(=O)(=O)C2)o1 ZINC000001814007 462587296 /nfs/dbraw/zinc/58/72/96/462587296.db2.gz QOGIMXDROXUXQT-UJFYRASASA-N 0 0 334.353 2.461 50 30 EEEARN C=CCN1C(=O)C(=Cc2cc(C)n(CCOC)c2C)C(=O)NC1=S ZINC000002233353 462591483 /nfs/dbraw/zinc/59/14/83/462591483.db2.gz UGKHROOPTYBWEM-GXDHUFHOSA-N 0 0 347.440 2.404 50 30 EEEARN CS(=O)(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 ZINC000003332107 462617372 /nfs/dbraw/zinc/61/73/72/462617372.db2.gz BFQYYZNHHLNHIA-UHFFFAOYSA-N 0 0 330.365 2.287 50 30 EEEARN C=C(C)Cn1c(=O)c2c(nc3n2cc(C)n3C2CCCC2)n(C)c1=O ZINC000004945187 462640776 /nfs/dbraw/zinc/64/07/76/462640776.db2.gz OCTDOTAJUMGUSV-UHFFFAOYSA-N 0 0 341.415 2.149 50 30 EEEARN COc1ccc(CN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005020332 462644267 /nfs/dbraw/zinc/64/42/67/462644267.db2.gz VSPUOXDZZXQXBQ-UHFFFAOYSA-N 0 0 334.379 2.284 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 ZINC000005210496 462649895 /nfs/dbraw/zinc/64/98/95/462649895.db2.gz FASYEJKXWJDIAF-UHFFFAOYSA-N 0 0 332.385 2.149 50 30 EEEARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C#N ZINC000006166027 462678930 /nfs/dbraw/zinc/67/89/30/462678930.db2.gz AXTKVYRADDAPPW-SNVBAGLBSA-N 0 0 338.458 2.488 50 30 EEEARN COc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O ZINC000006701341 462698429 /nfs/dbraw/zinc/69/84/29/462698429.db2.gz WQKFUVSZZMFAAM-UHFFFAOYSA-N 0 0 325.368 2.293 50 30 EEEARN N#Cc1ccccc1COC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000007244477 462726899 /nfs/dbraw/zinc/72/68/99/462726899.db2.gz VISQBVPIQSEAFH-UHFFFAOYSA-N 0 0 333.347 2.471 50 30 EEEARN Cc1nn(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)c(C#N)c1C ZINC000007385032 462733662 /nfs/dbraw/zinc/73/36/62/462733662.db2.gz SXBYJQHXZYWRNA-UHFFFAOYSA-N 0 0 341.758 2.484 50 30 EEEARN C#CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000008710340 462792299 /nfs/dbraw/zinc/79/22/99/462792299.db2.gz NJMATIRONGJFON-UHFFFAOYSA-N 0 0 342.420 2.467 50 30 EEEARN C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000008986983 462798060 /nfs/dbraw/zinc/79/80/60/462798060.db2.gz JMYAYQLMWKCULT-UHFFFAOYSA-N 0 0 346.452 2.218 50 30 EEEARN CCCc1nnsc1C(=O)NCC#CCOc1ccccc1OC ZINC000090610402 462802919 /nfs/dbraw/zinc/80/29/19/462802919.db2.gz RSRAXCFPFOVRIR-UHFFFAOYSA-N 0 0 345.424 2.311 50 30 EEEARN C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000012609979 462859470 /nfs/dbraw/zinc/85/94/70/462859470.db2.gz JDDXWBXZOYDQLI-MNOVXSKESA-N 0 0 339.424 2.389 50 30 EEEARN CCCn1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(C)n1 ZINC000091321688 462872554 /nfs/dbraw/zinc/87/25/54/462872554.db2.gz JYLOPNWWBHXFFN-UHFFFAOYSA-N 0 0 337.427 2.436 50 30 EEEARN COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nnnn21 ZINC000013130888 462886056 /nfs/dbraw/zinc/88/60/56/462886056.db2.gz MRXNACXGQHZJLD-HNNXBMFYSA-N 0 0 325.372 2.340 50 30 EEEARN CN1c2ccccc2C(=O)/C(=N\Nc2ccc(F)cc2)S1(=O)=O ZINC000013465979 462894240 /nfs/dbraw/zinc/89/42/40/462894240.db2.gz ATEHTMDTQJPFCO-OBGWFSINSA-N 0 0 333.344 2.214 50 30 EEEARN CC[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)cc1 ZINC000014143880 462915040 /nfs/dbraw/zinc/91/50/40/462915040.db2.gz IUKGSPPFYXCRFF-LBPRGKRZSA-N 0 0 348.204 2.180 50 30 EEEARN C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1sccc1C#N ZINC000014676299 462929553 /nfs/dbraw/zinc/92/95/53/462929553.db2.gz LBEQOXVFRIQWKW-MRVPVSSYSA-N 0 0 336.446 2.481 50 30 EEEARN N#Cc1cc2c(ccn(Cc3c[nH]nc3-c3cccs3)c2=O)nc1O ZINC000067967615 463074434 /nfs/dbraw/zinc/07/44/34/463074434.db2.gz WYWDGKCTLTYHAT-UHFFFAOYSA-N 0 0 349.375 2.474 50 30 EEEARN C=CCn1ncc(CN2CCN(c3noc(C(C)C)n3)CC2)c1C ZINC000067975762 463075662 /nfs/dbraw/zinc/07/56/62/463075662.db2.gz BOPVSKTXZNCQHA-UHFFFAOYSA-N 0 0 330.436 2.206 50 30 EEEARN Cc1nnnn1CCC(=O)N(CC#Cc1ccccc1)C1CCCC1 ZINC000055108838 463286368 /nfs/dbraw/zinc/28/63/68/463286368.db2.gz VNYGDKXDUPGQAH-UHFFFAOYSA-N 0 0 337.427 2.195 50 30 EEEARN C=CCN1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2C)CC1 ZINC000097179358 463341076 /nfs/dbraw/zinc/34/10/76/463341076.db2.gz KIMVMEBRAIKNMZ-UHFFFAOYSA-N 0 0 330.432 2.032 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C ZINC000100318948 463373300 /nfs/dbraw/zinc/37/33/00/463373300.db2.gz QTQAXYDCNKGTPR-BRADTZPFSA-N 0 0 346.339 2.248 50 30 EEEARN N#Cc1nccnc1O[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000225481143 464163514 /nfs/dbraw/zinc/16/35/14/464163514.db2.gz VXHOKSCJLPGWJQ-FDMDGMSGSA-N 0 0 334.379 2.431 50 30 EEEARN COc1ccc(CC(=O)ONC(=N)c2cccc(C)c2)cc1OC ZINC000005012925 523913031 /nfs/dbraw/zinc/91/30/31/523913031.db2.gz LMKZXPVXUOWBAM-UHFFFAOYSA-N 0 0 328.368 2.418 50 30 EEEARN Cc1cc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000013957036 524193999 /nfs/dbraw/zinc/19/39/99/524193999.db2.gz WQEYVUQJDXEFMY-UHFFFAOYSA-N 0 0 344.283 2.289 50 30 EEEARN COc1nccc(N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1C#N ZINC000222874649 537146197 /nfs/dbraw/zinc/14/61/97/537146197.db2.gz XLGFGXWVUGDXAM-KRWDZBQOSA-N 0 0 339.399 2.012 50 30 EEEARN C=CCS[C@H](C)C(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000055196318 214287420 /nfs/dbraw/zinc/28/74/20/214287420.db2.gz NJBNAQNRKDHXHF-OAHLLOKOSA-N 0 0 334.485 2.131 50 30 EEEARN CNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N ZINC000012421143 201845892 /nfs/dbraw/zinc/84/58/92/201845892.db2.gz MPMRVAXMXSKLGJ-UHFFFAOYSA-N 0 0 332.385 2.039 50 30 EEEARN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000685940181 539988832 /nfs/dbraw/zinc/98/88/32/539988832.db2.gz MWDRQTKHZSTBQK-INIZCTEOSA-N 0 0 338.415 2.105 50 30 EEEARN N#Cc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000020027048 202029181 /nfs/dbraw/zinc/02/91/81/202029181.db2.gz FGMVFRHCACIVBU-UHFFFAOYSA-N 0 0 334.423 2.315 50 30 EEEARN N#CCCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1 ZINC000020725491 202053284 /nfs/dbraw/zinc/05/32/84/202053284.db2.gz PYSKRYZIAWMFDU-MRXNPFEDSA-N 0 0 346.818 2.478 50 30 EEEARN N#CCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000024169809 202113639 /nfs/dbraw/zinc/11/36/39/202113639.db2.gz WIYRWWPMHCKXQH-UHFFFAOYSA-N 0 0 348.255 2.213 50 30 EEEARN CC(C)NS(=O)(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC000026707999 202148255 /nfs/dbraw/zinc/14/82/55/202148255.db2.gz OPYMQEADMAXYOW-UHFFFAOYSA-N 0 0 330.413 2.252 50 30 EEEARN N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000028040966 202163683 /nfs/dbraw/zinc/16/36/83/202163683.db2.gz ZENUSDZBECFPLL-UHFFFAOYSA-N 0 0 342.424 2.032 50 30 EEEARN C[C@H](NC(=O)c1ccco1)C(=O)OCc1cn2ccccc2c1C#N ZINC000032682329 202230300 /nfs/dbraw/zinc/23/03/00/202230300.db2.gz FBGTYWYSZGUXKW-LBPRGKRZSA-N 0 0 337.335 2.266 50 30 EEEARN C=CCN(C(=O)CN1CSCC1=O)c1nc2c(s1)CCCC2 ZINC000032966772 212882741 /nfs/dbraw/zinc/88/27/41/212882741.db2.gz WZFHUONNRSQDKL-UHFFFAOYSA-N 0 0 337.470 2.074 50 30 EEEARN C=CCN1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000426474115 241294846 /nfs/dbraw/zinc/29/48/46/241294846.db2.gz FUIYTKVQPXRNJA-SFHVURJKSA-N 0 0 339.443 2.138 50 30 EEEARN Cc1nn2c(nc(C)cc2N2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000072476615 203231807 /nfs/dbraw/zinc/23/18/07/203231807.db2.gz OLBGIVUBRCZSSV-UHFFFAOYSA-N 0 0 347.426 2.248 50 30 EEEARN Cc1ccc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)c(O)c1 ZINC000077457517 203389145 /nfs/dbraw/zinc/38/91/45/203389145.db2.gz QPOBKIHIIGPWAS-AWEZNQCLSA-N 0 0 349.390 2.450 50 30 EEEARN C=CC[C@]1(CO)CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 ZINC000091820338 218072202 /nfs/dbraw/zinc/07/22/02/218072202.db2.gz XUHNARIYQYKQAU-KRWDZBQOSA-N 0 0 339.457 2.343 50 30 EEEARN N#Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000012879335 207256595 /nfs/dbraw/zinc/25/65/95/207256595.db2.gz AVIOXQOPWZOLTG-UHFFFAOYSA-N 0 0 335.407 2.320 50 30 EEEARN N#CCCN(CCc1ccccn1)CN1C(=O)c2ccccc2C1=O ZINC000013281648 207377315 /nfs/dbraw/zinc/37/73/15/207377315.db2.gz UQBLHCYQHGNRNJ-UHFFFAOYSA-N 0 0 334.379 2.093 50 30 EEEARN C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000007463270 258043039 /nfs/dbraw/zinc/04/30/39/258043039.db2.gz OWHWLYFZCOFVMI-BBRMVZONSA-N 0 0 333.384 2.092 50 30 EEEARN Nc1ncc(C(F)(F)F)cc1C#CCN1C(=O)c2ccccc2C1=O ZINC000043828057 295370895 /nfs/dbraw/zinc/37/08/95/295370895.db2.gz XGNIRVNYMUNFTD-UHFFFAOYSA-N 0 0 345.280 2.330 50 30 EEEARN C[C@@](O)(CNc1cc(C#N)ccc1C(F)(F)F)CN1CCOCC1 ZINC000125524843 323325888 /nfs/dbraw/zinc/32/58/88/323325888.db2.gz NIHUWXICTUBCAO-OAHLLOKOSA-N 0 0 343.349 2.072 50 30 EEEARN CCCCOc1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000334158297 465040631 /nfs/dbraw/zinc/04/06/31/465040631.db2.gz FGOUQTNSDCTYOG-ZIAGYGMSSA-P 0 0 341.478 2.283 50 30 EEEARN CCc1nc(C)c(C(=O)NC2CCN(c3ncccc3C#N)CC2)o1 ZINC000534675149 468273147 /nfs/dbraw/zinc/27/31/47/468273147.db2.gz MYEDVOCVIURYJY-UHFFFAOYSA-N 0 0 339.399 2.211 50 30 EEEARN CCO[C@@H]1N(C)C(=O)C(C#N)=NN1c1cccc(C(F)(F)F)c1 ZINC000001408837 462581737 /nfs/dbraw/zinc/58/17/37/462581737.db2.gz ZUWZWYQBRHWAEK-CYBMUJFWSA-N 0 0 326.278 2.183 50 30 EEEARN O=C1Nc2ccccc2/C1=N\CCC/N=C1/c2ccccc2NC1=O ZINC000003120137 462611118 /nfs/dbraw/zinc/61/11/18/462611118.db2.gz PVGVAFGSBBEZKK-UHFFFAOYSA-N 0 0 332.363 2.259 50 30 EEEARN COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2OS(C)(=O)=O)cc1 ZINC000004321770 462631628 /nfs/dbraw/zinc/63/16/28/462631628.db2.gz JGYPACBWHLPULQ-DLBZAZTESA-N 0 0 348.376 2.356 50 30 EEEARN Cc1cc(CN=Nc2nnc(C)n2N)c(C)n1-c1ccc(F)cc1 ZINC000004622078 462635325 /nfs/dbraw/zinc/63/53/25/462635325.db2.gz RYKQZEORMXVJNI-DJKKODMXSA-N 0 0 327.367 2.293 50 30 EEEARN C=CCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000005676533 462665845 /nfs/dbraw/zinc/66/58/45/462665845.db2.gz VTINVXWCVGOSCN-UHFFFAOYSA-N 0 0 337.228 2.062 50 30 EEEARN C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000005687075 462666599 /nfs/dbraw/zinc/66/65/99/462666599.db2.gz YXZVRWVQISMPBS-MLGOLLRUSA-N 0 0 338.363 2.041 50 30 EEEARN COC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1 ZINC000007051557 462719543 /nfs/dbraw/zinc/71/95/43/462719543.db2.gz VKNATLFMFJAFAN-UHFFFAOYSA-N 0 0 327.365 2.471 50 30 EEEARN Cc1noc(C)c1/C=C/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000007652956 462743757 /nfs/dbraw/zinc/74/37/57/462743757.db2.gz GMXDECKRCCZPLS-MDZDMXLPSA-N 0 0 334.397 2.438 50 30 EEEARN N#Cc1c2c(sc1NC(=O)CSc1nnnn1C1CC1)CCC2 ZINC000008232444 462774118 /nfs/dbraw/zinc/77/41/18/462774118.db2.gz IQWXGQJQRFYKFK-UHFFFAOYSA-N 0 0 346.441 2.161 50 30 EEEARN Cc1cc(-c2onc(C)c2C(=N)NOC(=O)c2ccccc2)no1 ZINC000008536197 462788438 /nfs/dbraw/zinc/78/84/38/462788438.db2.gz DYOHOGRWEJXBMV-UHFFFAOYSA-N 0 0 326.312 2.424 50 30 EEEARN COCCCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000009485943 462804241 /nfs/dbraw/zinc/80/42/41/462804241.db2.gz NXFDPNFYGUJZFT-UHFFFAOYSA-N 0 0 329.425 2.359 50 30 EEEARN C[C@@H](Sc1nc2ncccn2n1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000014093052 462910448 /nfs/dbraw/zinc/91/04/48/462910448.db2.gz PDQJTCOXPHGRQK-GFCCVEGCSA-N 0 0 344.444 2.290 50 30 EEEARN C=CCN(Cc1nc2c(ccc(C)c2C)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000067947885 463071665 /nfs/dbraw/zinc/07/16/65/463071665.db2.gz NSHJYLVMSWOAIF-CQSZACIVSA-N 0 0 333.457 2.355 50 30 EEEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1snnc1C ZINC000100875968 463375200 /nfs/dbraw/zinc/37/52/00/463375200.db2.gz YBWRIBNKDFCUGM-PEZBUJJGSA-N 0 0 332.385 2.376 50 30 EEEARN CSC(NS(=O)(=O)c1ccc(C)cc1)=C(C(C)=O)C(C)=O ZINC000101150490 463376540 /nfs/dbraw/zinc/37/65/40/463376540.db2.gz ISMQUVLWVSAGDW-PFONDFGASA-N 0 0 327.427 2.239 50 30 EEEARN Cc1sc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(C#N)c1C ZINC000103053049 463394313 /nfs/dbraw/zinc/39/43/13/463394313.db2.gz SHALZIRGVWMPSI-TXEJJXNPSA-N 0 0 343.408 2.126 50 30 EEEARN C=CCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000033088959 463412467 /nfs/dbraw/zinc/41/24/67/463412467.db2.gz CWBMWQYKCJFAMG-UHFFFAOYSA-N 0 0 333.185 2.236 50 30 EEEARN Cn1cc(C#N)cc1C(=O)N1CCCN(Cc2ccccc2F)CC1 ZINC000081728815 463484133 /nfs/dbraw/zinc/48/41/33/463484133.db2.gz PKIBRVQLIVLFBY-UHFFFAOYSA-N 0 0 340.402 2.384 50 30 EEEARN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn3c2CCCC3)cc1 ZINC000125617589 463562030 /nfs/dbraw/zinc/56/20/30/463562030.db2.gz JNMJBWRZEROMRS-AWEZNQCLSA-N 0 0 338.367 2.189 50 30 EEEARN N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccccc1 ZINC000226075400 464183866 /nfs/dbraw/zinc/18/38/66/464183866.db2.gz SJQSKMOFIMXZTC-LSDHHAIUSA-N 0 0 329.363 2.488 50 30 EEEARN N#CC1CCN(C(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)CC1 ZINC000584887723 468955665 /nfs/dbraw/zinc/95/56/65/468955665.db2.gz GAGXGFVZMCZIIB-KRWDZBQOSA-N 0 0 342.443 2.302 50 30 EEEARN C[C@](C#N)(NC(=O)COC(=O)Cc1c(F)cccc1Cl)C1CC1 ZINC000005508444 525135524 /nfs/dbraw/zinc/13/55/24/525135524.db2.gz DOAKWMSHZHQVKA-MRXNPFEDSA-N 0 0 338.766 2.373 50 30 EEEARN N#CCOc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(F)cc21 ZINC000005451926 526476541 /nfs/dbraw/zinc/47/65/41/526476541.db2.gz BWJNSTKRHZTBEY-GOSISDBHSA-N 0 0 340.310 2.141 50 30 EEEARN C=CCN1C[C@H](C(=O)N(CC)CCOc2ccc(C)cc2)CC1=O ZINC000952961132 796076822 /nfs/dbraw/zinc/07/68/22/796076822.db2.gz NGPAEXQWABHQRO-MRXNPFEDSA-N 0 0 330.428 2.257 50 30 EEEARN C=CCN(Cc1ccccc1C)S(=O)(=O)N1CCC[C@H]1COC ZINC000952961166 796077436 /nfs/dbraw/zinc/07/74/36/796077436.db2.gz QSJFLWCSJVRDCA-KRWDZBQOSA-N 0 0 338.473 2.339 50 30 EEEARN COCC(=O)Nc1ccc(NC(=O)c2cc(C#N)cn2C)cc1C ZINC000952967896 796130668 /nfs/dbraw/zinc/13/06/68/796130668.db2.gz IXQOFYVINWQWPF-UHFFFAOYSA-N 0 0 326.356 2.042 50 30 EEEARN N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000055564273 214330641 /nfs/dbraw/zinc/33/06/41/214330641.db2.gz TZCPFMZYXDMCSN-UHFFFAOYSA-N 0 0 338.386 2.458 50 30 EEEARN CS(=O)(=O)Cc1ccc(C(=O)OCc2ccccc2C#N)cc1 ZINC000007019783 201709575 /nfs/dbraw/zinc/70/95/75/201709575.db2.gz KXHWUSGLYUJJGY-UHFFFAOYSA-N 0 0 329.377 2.460 50 30 EEEARN Cc1cc(C)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1C#N ZINC000007615973 201724179 /nfs/dbraw/zinc/72/41/79/201724179.db2.gz XKDWSKMTVAFHHB-UHFFFAOYSA-N 0 0 329.787 2.307 50 30 EEEARN N#Cc1ncn(Cc2nc3sc4c(c3c(N)n2)CCCCC4)n1 ZINC000012543110 201853100 /nfs/dbraw/zinc/85/31/00/201853100.db2.gz IGYZCSLYSJYSNZ-UHFFFAOYSA-N 0 0 325.401 2.054 50 30 EEEARN O=[N+]([O-])c1cc(S(=O)(=O)N=C2CCCCCN2)ccc1Cl ZINC000013140401 201886079 /nfs/dbraw/zinc/88/60/79/201886079.db2.gz QFQYKSPPXHGFMQ-UHFFFAOYSA-N 0 0 331.781 2.499 50 30 EEEARN C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004005741 210098529 /nfs/dbraw/zinc/09/85/29/210098529.db2.gz JLQPQZNXOIIXPL-QWHCGFSZSA-N 0 0 329.356 2.418 50 30 EEEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000036848410 202332877 /nfs/dbraw/zinc/33/28/77/202332877.db2.gz WNFNIUHJXXPTHH-LJQANCHMSA-N 0 0 333.347 2.208 50 30 EEEARN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000036848409 202333650 /nfs/dbraw/zinc/33/36/50/202333650.db2.gz WNFNIUHJXXPTHH-IBGZPJMESA-N 0 0 333.347 2.208 50 30 EEEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2cccnc2)cc1 ZINC000001243925 201501317 /nfs/dbraw/zinc/50/13/17/201501317.db2.gz CPBAUKPBMVIBSC-GIJQJNRQSA-N 0 0 339.380 2.298 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1F)CC(=O)N2 ZINC000021784884 212250690 /nfs/dbraw/zinc/25/06/90/212250690.db2.gz XROWQQSQLAFLJO-VIFPVBQESA-N 0 0 347.346 2.248 50 30 EEEARN CC(C)=CC(=O)N1CCc2ncnc(N3CCC[C@@H](C#N)C3)c2CC1 ZINC000072447567 203225909 /nfs/dbraw/zinc/22/59/09/203225909.db2.gz MRVJKKLJTYCVBV-HNNXBMFYSA-N 0 0 339.443 2.110 50 30 EEEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCCC2)cc1 ZINC000101783130 206326720 /nfs/dbraw/zinc/32/67/20/206326720.db2.gz BFTBKOAKYFFPBW-ZCXUNETKSA-N 0 0 335.473 2.274 50 30 EEEARN C=C(C)CNC(=S)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012859969 211470860 /nfs/dbraw/zinc/47/08/60/211470860.db2.gz MDPMMRZVZUDMRR-INIZCTEOSA-N 0 0 337.464 2.239 50 30 EEEARN C=CCN(CC=C)C(=O)[C@@H]1Cc2nc(NC(=O)CC)sc2C(=O)C1 ZINC000012281175 211333953 /nfs/dbraw/zinc/33/39/53/211333953.db2.gz BKEJBBNBOOAQLA-LLVKDONJSA-N 0 0 347.440 2.437 50 30 EEEARN N#Cc1ccc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000119760420 221395440 /nfs/dbraw/zinc/39/54/40/221395440.db2.gz VEWHZHBAPZGVPP-ZDUSSCGKSA-N 0 0 348.834 2.398 50 30 EEEARN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)cn1 ZINC000299794039 258099219 /nfs/dbraw/zinc/09/92/19/258099219.db2.gz HXDSCPNYGMAAMC-QGZVFWFLSA-N 0 0 336.399 2.134 50 30 EEEARN N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 ZINC000000303280 135648342 /nfs/dbraw/zinc/64/83/42/135648342.db2.gz ZLRRDKIDYWBDRB-UHFFFAOYSA-N 0 0 345.399 2.208 50 30 EEEARN C=CCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 ZINC000012584903 275422018 /nfs/dbraw/zinc/42/20/18/275422018.db2.gz MBFCALLOLRYZSN-OAHLLOKOSA-N 0 0 344.459 2.144 50 30 EEEARN C#CCNC(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 ZINC000022690909 277693042 /nfs/dbraw/zinc/69/30/42/277693042.db2.gz BXIXIPHUWOSQQK-WMZOPIPTSA-N 0 0 328.412 2.134 50 30 EEEARN Cc1ccc2nc3c(cc(C#N)c(=N)n3Cc3ccccc3)c(=O)n2c1 ZINC000100321040 281163270 /nfs/dbraw/zinc/16/32/70/281163270.db2.gz SKXOASPOUXSPLY-UHFFFAOYSA-N 0 0 341.374 2.357 50 30 EEEARN COC(=O)C(C#N)=C(c1ccc(O)cc1)C1C(=O)CC(C)(C)CC1=O ZINC000000032886 462540030 /nfs/dbraw/zinc/54/00/30/462540030.db2.gz LJIDEIIKTAZZTL-ZDUSSCGKSA-N 0 0 341.363 2.417 50 30 EEEARN O=C1C=CC(=NS(=O)(=O)c2ccc(Br)cc2)C=C1 ZINC000000189768 462546751 /nfs/dbraw/zinc/54/67/51/462546751.db2.gz UDJBFYWOEXXDON-UHFFFAOYSA-N 0 0 326.171 2.274 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000381166 462558158 /nfs/dbraw/zinc/55/81/58/462558158.db2.gz AGBBFQVUQLAPOB-HIFRSBDPSA-N 0 0 346.339 2.058 50 30 EEEARN COc1cc(Br)cc(C=Nn2cn[nH]c2=S)c1O ZINC000000534466 462569528 /nfs/dbraw/zinc/56/95/28/462569528.db2.gz UWPOCJHBDJAXER-YIXHJXPBSA-N 0 0 329.179 2.300 50 30 EEEARN COc1ccc(OC)c(NC2=NCC(=O)N2Cc2ccccc2)c1 ZINC000004131086 462627671 /nfs/dbraw/zinc/62/76/71/462627671.db2.gz DRVCWUWLDBBCPB-UHFFFAOYSA-N 0 0 325.368 2.323 50 30 EEEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000004738074 462636120 /nfs/dbraw/zinc/63/61/20/462636120.db2.gz ZZLUSLRYGSCJKP-BPKVKKHESA-N 0 0 344.352 2.352 50 30 EEEARN CCOc1ccc(C(=O)NCC(=O)OCc2ccccc2C#N)cc1 ZINC000005223379 462651614 /nfs/dbraw/zinc/65/16/14/462651614.db2.gz JXWCKORQSVPLAT-UHFFFAOYSA-N 0 0 338.363 2.430 50 30 EEEARN CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000129019995 462684876 /nfs/dbraw/zinc/68/48/76/462684876.db2.gz BMAVBOPNXWUWEX-LBPRGKRZSA-N 0 0 335.212 2.297 50 30 EEEARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)cc2)C1 ZINC000006747252 462701991 /nfs/dbraw/zinc/70/19/91/462701991.db2.gz JTNKGXIZPQLPPG-HNNXBMFYSA-N 0 0 349.456 2.339 50 30 EEEARN C=C(C)CNC(=S)N1C[C@H](C(=O)NCCC)Oc2ccccc21 ZINC000007102432 462721849 /nfs/dbraw/zinc/72/18/49/462721849.db2.gz ZZGZDYKSKICWLF-OAHLLOKOSA-N 0 0 333.457 2.231 50 30 EEEARN COc1cc(C=Nn2cnnc2)ccc1OC(=O)c1cccs1 ZINC000008629901 462790589 /nfs/dbraw/zinc/79/05/89/462790589.db2.gz RCALTLYCCNWLJR-UHFFFAOYSA-N 0 0 328.353 2.450 50 30 EEEARN COc1ccccc1OCC#CCNC(=O)c1cnc2ccccc2n1 ZINC000090610394 462802647 /nfs/dbraw/zinc/80/26/47/462802647.db2.gz BUEMLSYISGGLAZ-UHFFFAOYSA-N 0 0 347.374 2.451 50 30 EEEARN N#Cc1cnc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1N ZINC000010323237 462817327 /nfs/dbraw/zinc/81/73/27/462817327.db2.gz SCGPWCBPRYFNLM-CYBMUJFWSA-N 0 0 343.387 2.182 50 30 EEEARN N#Cc1cc2c(ccn(Cc3ccccc3)c2=O)nc1N1CCOCC1 ZINC000012376632 462852057 /nfs/dbraw/zinc/85/20/57/462852057.db2.gz VKQKKIAAVREVMB-UHFFFAOYSA-N 0 0 346.390 2.153 50 30 EEEARN N#Cc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000012821289 462871429 /nfs/dbraw/zinc/87/14/29/462871429.db2.gz TWSUVMMAFPSLSM-UHFFFAOYSA-N 0 0 341.392 2.350 50 30 EEEARN N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 ZINC000091412408 462877748 /nfs/dbraw/zinc/87/77/48/462877748.db2.gz SUJFTLOWXJSMPM-DOTOQJQBSA-N 0 0 333.395 2.089 50 30 EEEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCOCC2)c1C#N ZINC000012989865 462879371 /nfs/dbraw/zinc/87/93/71/462879371.db2.gz ZHVJDXWGRXNHMS-UHFFFAOYSA-N 0 0 338.411 2.237 50 30 EEEARN N#Cc1ccc(F)c(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1 ZINC000014123164 462912560 /nfs/dbraw/zinc/91/25/60/462912560.db2.gz VECXOWRBMBEQEC-UHFFFAOYSA-N 0 0 339.248 2.025 50 30 EEEARN C[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000119611655 462916162 /nfs/dbraw/zinc/91/61/62/462916162.db2.gz SZSGOFGKGURSCF-AWEZNQCLSA-N 0 0 348.406 2.364 50 30 EEEARN Cc1ccc(C#N)c(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 ZINC000067695484 463038886 /nfs/dbraw/zinc/03/88/86/463038886.db2.gz DBQQYSYHKOMDFG-JKSUJKDBSA-N 0 0 337.379 2.345 50 30 EEEARN C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000121874346 463208981 /nfs/dbraw/zinc/20/89/81/463208981.db2.gz ZPMKGRLDKAMYCX-LPHOPBHVSA-N 0 0 335.492 2.364 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000101329424 463377441 /nfs/dbraw/zinc/37/74/41/463377441.db2.gz NWUXBZWNOPUFOF-QIIPPGSGSA-N 0 0 346.358 2.039 50 30 EEEARN C=CCn1nnsc1=NCC(=O)c1ccc(Br)cc1 ZINC000102265509 463385595 /nfs/dbraw/zinc/38/55/95/463385595.db2.gz YZISOSCEPJZERK-WYMLVPIESA-N 0 0 339.218 2.072 50 30 EEEARN C=CCNC(=O)[C@@H](C)OC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000032850601 463399169 /nfs/dbraw/zinc/39/91/69/463399169.db2.gz URGODYGPCALARA-GFCCVEGCSA-N 0 0 347.802 2.432 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)cc1OC ZINC000103502435 463403364 /nfs/dbraw/zinc/40/33/64/463403364.db2.gz OGAYGSLLFMFKSX-VFADXPBXSA-N 0 0 342.395 2.438 50 30 EEEARN CCOCCCNC(=O)C(C#N)=C(O)C=C(C)c1ccc(F)cc1 ZINC000103682060 463406394 /nfs/dbraw/zinc/40/63/94/463406394.db2.gz VKGHFELPNOMXJS-KVNDZABWSA-N 0 0 332.375 2.481 50 30 EEEARN COC(=O)[C@@H]1C[C@H]2CC(C)=CC(=O)[C@@]2(S(=O)(=O)c2ccccc2)C1 ZINC000071786199 463424562 /nfs/dbraw/zinc/42/45/62/463424562.db2.gz DEFURDMKANRPBC-HBUWYVDXSA-N 0 0 348.420 2.317 50 30 EEEARN CNc1nc(-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)ncc1F ZINC000426477531 467142752 /nfs/dbraw/zinc/14/27/52/467142752.db2.gz HTQKNZDNSPSULS-LBPRGKRZSA-N 0 0 339.374 2.700 50 30 EEEARN C=CCN(Cc1ccc(Cl)s1)Cc1nc(N)nc(N(C)C)n1 ZINC000023641632 518782202 /nfs/dbraw/zinc/78/22/02/518782202.db2.gz QIOORPPTLWZNLC-UHFFFAOYSA-N 0 0 338.868 2.423 50 30 EEEARN C=CCOc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000012698445 519034387 /nfs/dbraw/zinc/03/43/87/519034387.db2.gz RRTMTEPHIBBOFC-CYBMUJFWSA-N 0 0 342.447 2.278 50 30 EEEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@]1(O)C(=O)Nc2ccccc21 ZINC000000316471 527621405 /nfs/dbraw/zinc/62/14/05/527621405.db2.gz AJJYRWYJJMMKIT-WSSFADSRSA-N 0 0 337.331 2.228 50 30 EEEARN COc1ccccc1N1CCN(/N=C/c2ccc(O)c(O)c2)CC1 ZINC000000232165 537062743 /nfs/dbraw/zinc/06/27/43/537062743.db2.gz DNVXABBKUHQVDA-CPNJWEJPSA-N 0 0 327.384 2.263 50 30 EEEARN O=C(/C=C\c1ccc(I)o1)c1ccc[n+]([O-])c1 ZINC000004566684 210222029 /nfs/dbraw/zinc/22/20/29/210222029.db2.gz ILKDRLHDALJLNT-HYXAFXHYSA-N 0 0 341.104 2.414 50 30 EEEARN C=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1 ZINC000013150258 201887743 /nfs/dbraw/zinc/88/77/43/201887743.db2.gz BZRKWCUOVDGIPG-OWBHPGMISA-N 0 0 330.818 2.146 50 30 EEEARN CCC(=O)OC1=C(C(C)=O)N(C(C)C)S(=O)(=O)c2ccccc21 ZINC000020894017 202057223 /nfs/dbraw/zinc/05/72/23/202057223.db2.gz YJCPOGZUVJGKTJ-UHFFFAOYSA-N 0 0 337.397 2.310 50 30 EEEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCc1ccc(F)cc1 ZINC000007424975 283409193 /nfs/dbraw/zinc/40/91/93/283409193.db2.gz CFEZNUAHHUTUQH-UHFFFAOYSA-N 0 0 336.370 2.457 50 30 EEEARN CNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1C#N ZINC000071284822 203090142 /nfs/dbraw/zinc/09/01/42/203090142.db2.gz DANQSWOJDPHWHS-UHFFFAOYSA-N 0 0 336.373 2.023 50 30 EEEARN CC(C)(C)c1cc(-c2cnc(N3CCOCC3)nc2)c(C#N)c(N)n1 ZINC000071735937 203105157 /nfs/dbraw/zinc/10/51/57/203105157.db2.gz GZLWBUSTNSTPGQ-UHFFFAOYSA-N 0 0 338.415 2.127 50 30 EEEARN N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3cccs3)c2)CCO1 ZINC000106350001 204190873 /nfs/dbraw/zinc/19/08/73/204190873.db2.gz WNXIYCZYALDCSS-AWEZNQCLSA-N 0 0 341.392 2.105 50 30 EEEARN CCOc1ccc([C@H]2CCCN2C(=O)Cn2cnc(C#N)c2C#N)cc1 ZINC000126190198 205045063 /nfs/dbraw/zinc/04/50/63/205045063.db2.gz KOQDIAAXCLBBGR-QGZVFWFLSA-N 0 0 349.394 2.389 50 30 EEEARN C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000012421454 207143784 /nfs/dbraw/zinc/14/37/84/207143784.db2.gz KJIFNSITQOVFSQ-LPHOPBHVSA-N 0 0 334.435 2.127 50 30 EEEARN C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000000455030 257900633 /nfs/dbraw/zinc/90/06/33/257900633.db2.gz XLRJRMNHIHNRFB-UVTDQMKNSA-N 0 0 328.324 2.453 50 30 EEEARN C=CCN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CCC1=O ZINC000012218516 258017601 /nfs/dbraw/zinc/01/76/01/258017601.db2.gz VMTFPXUVFUNDDI-UHFFFAOYSA-N 0 0 340.345 2.495 50 30 EEEARN N#Cc1cnc(N2CCN(C(=O)CCCc3ccccc3)CC2)cn1 ZINC000123092451 222213518 /nfs/dbraw/zinc/21/35/18/222213518.db2.gz LEKJAQNJJGNCLS-UHFFFAOYSA-N 0 0 335.411 2.020 50 30 EEEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1 ZINC000012345661 295217739 /nfs/dbraw/zinc/21/77/39/295217739.db2.gz JJKIUNLIBITPPK-OAHLLOKOSA-N 0 0 325.372 2.340 50 30 EEEARN C=CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C ZINC000000068755 462540529 /nfs/dbraw/zinc/54/05/29/462540529.db2.gz GNNOSAVQILSUQP-PTNGSMBKSA-N 0 0 341.363 2.332 50 30 EEEARN Cc1ccc(C#N)c(N2CCN(Cc3cn4ccccc4n3)CC2)n1 ZINC000127602921 462568370 /nfs/dbraw/zinc/56/83/70/462568370.db2.gz CJQOAOSIVOERDA-UHFFFAOYSA-N 0 0 332.411 2.232 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000000546369 462570232 /nfs/dbraw/zinc/57/02/32/462570232.db2.gz TZATVPBHQRGROM-CQSZACIVSA-N 0 0 329.352 2.159 50 30 EEEARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000003474604 462619721 /nfs/dbraw/zinc/61/97/21/462619721.db2.gz XXDWQZUYBGOIED-UHFFFAOYSA-N 0 0 338.319 2.140 50 30 EEEARN Cc1c(O)ccc(C=NNc2nc3ccccc3n3cnnc23)c1O ZINC000004793768 462638260 /nfs/dbraw/zinc/63/82/60/462638260.db2.gz LHFLDSVQKJUNSZ-QGMBQPNBSA-N 0 0 334.339 2.443 50 30 EEEARN C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)NC1(C#N)CCCCC1 ZINC000007738409 462748304 /nfs/dbraw/zinc/74/83/04/462748304.db2.gz OHYFKVFBGVBWPO-CYBMUJFWSA-N 0 0 340.383 2.222 50 30 EEEARN O=C(N=C1NCCS1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009113443 462799165 /nfs/dbraw/zinc/79/91/65/462799165.db2.gz NWPUMQRSRITMHG-UHFFFAOYSA-N 0 0 334.401 2.030 50 30 EEEARN O=C(NCC#CCOc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000090730923 462808873 /nfs/dbraw/zinc/80/88/73/462808873.db2.gz GHVPQTYOFMPJDF-UHFFFAOYSA-N 0 0 330.384 2.429 50 30 EEEARN COCCN1CCC[C@]2(CCN(c3cc(C)c(C#N)c(C)n3)C2)C1=O ZINC000095382309 463072124 /nfs/dbraw/zinc/07/21/24/463072124.db2.gz DGHYYLPJTVPEFM-LJQANCHMSA-N 0 0 342.443 2.035 50 30 EEEARN COCCn1ccnc1C1CCN(c2ccnc(OC)c2C#N)CC1 ZINC000095500782 463094522 /nfs/dbraw/zinc/09/45/22/463094522.db2.gz MGYIUCGMTIPGKP-UHFFFAOYSA-N 0 0 341.415 2.189 50 30 EEEARN CC(=O)C1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000136529035 463243828 /nfs/dbraw/zinc/24/38/28/463243828.db2.gz OACSUKAIVHQATB-BBWFWOEESA-N 0 0 333.340 2.439 50 30 EEEARN C=CCn1c(Nc2ccc(OC)cc2)nc2c(C)nn(C)c2c1=O ZINC000032652640 463385086 /nfs/dbraw/zinc/38/50/86/463385086.db2.gz NJRLGXMYIZKWHG-UHFFFAOYSA-N 0 0 325.372 2.377 50 30 EEEARN C#CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000032825560 463397023 /nfs/dbraw/zinc/39/70/23/463397023.db2.gz RCZJQXWHWOVBEF-MRXNPFEDSA-N 0 0 326.440 2.336 50 30 EEEARN NC(=O)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038694760 463447185 /nfs/dbraw/zinc/44/71/85/463447185.db2.gz QNQILYKUOWQTEZ-INIZCTEOSA-N 0 0 342.420 2.309 50 30 EEEARN COc1cccc(N2CCN(Cc3cc(C#N)n(C)c3C)CC2=O)c1 ZINC000082120163 463516181 /nfs/dbraw/zinc/51/61/81/463516181.db2.gz VRWDYVUBAIMFST-UHFFFAOYSA-N 0 0 338.411 2.063 50 30 EEEARN CCCc1cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)n(C)n1 ZINC000082116323 463516253 /nfs/dbraw/zinc/51/62/53/463516253.db2.gz ZZRGJZQEBXOOMA-UHFFFAOYSA-N 0 0 337.427 2.207 50 30 EEEARN CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000110625252 463660422 /nfs/dbraw/zinc/66/04/22/463660422.db2.gz KUWDMGVAUOUFQR-MFKMUULPSA-N 0 0 328.821 2.400 50 30 EEEARN CC[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C(=O)N(C)C ZINC000584898324 468958660 /nfs/dbraw/zinc/95/86/60/468958660.db2.gz QHGQUMVUUIFZBS-INIZCTEOSA-N 0 0 342.443 2.120 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC000206603941 485528060 /nfs/dbraw/zinc/52/80/60/485528060.db2.gz FHRIRSMNEBRRBG-HNNXBMFYSA-N 0 0 325.416 2.037 50 30 EEEARN C=CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)C)CC1 ZINC000036254705 518916313 /nfs/dbraw/zinc/91/63/13/518916313.db2.gz ROGUYESCSZOGCJ-GOSISDBHSA-N 0 0 335.492 2.038 50 30 EEEARN C[C@](C#N)(NC(=O)CN1CCN(c2ccccc2Cl)CC1)C1CC1 ZINC000034868289 525135128 /nfs/dbraw/zinc/13/51/28/525135128.db2.gz MBDURLJCSZAFAL-GOSISDBHSA-N 0 0 346.862 2.270 50 30 EEEARN C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000822218744 1368092361 /nfs/dbraw/zinc/09/23/61/1368092361.db2.gz SDBITTRHSROXCY-UISQRTOZSA-N 0 0 334.456 2.233 50 30 EEEARN C=CCN(Cc1ccc(C)s1)S(=O)(=O)N1CCC[C@H]1COC ZINC000952961090 796077132 /nfs/dbraw/zinc/07/71/32/796077132.db2.gz JJQZFKQXHZCVJC-AWEZNQCLSA-N 0 0 344.502 2.400 50 30 EEEARN C=CCN1C[C@@H](C(=O)NC(C)(C)c2ccc(OC)c(OC)c2)CC1=O ZINC000820474773 798580722 /nfs/dbraw/zinc/58/07/22/798580722.db2.gz CHDCYXJKJUOTEF-ZDUSSCGKSA-N 0 0 346.427 2.090 50 30 EEEARN C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCCN1C(C)C ZINC000012075135 799758521 /nfs/dbraw/zinc/75/85/21/799758521.db2.gz PRSKOGAGBIZCRH-INIZCTEOSA-N 0 0 333.476 2.099 50 30 EEEARN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000004570843 210223568 /nfs/dbraw/zinc/22/35/68/210223568.db2.gz SUXSWKCWZYDIHZ-QGZVFWFLSA-N 0 0 338.363 2.381 50 30 EEEARN N#Cc1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)c(F)c1 ZINC000010198649 201795093 /nfs/dbraw/zinc/79/50/93/201795093.db2.gz UVSYXFJCXOUBNW-UHFFFAOYSA-N 0 0 329.722 2.141 50 30 EEEARN CC(C)(C)c1cc(NC(=O)Cn2cnc(C#N)n2)n(-c2ccccc2)n1 ZINC000014143496 201929539 /nfs/dbraw/zinc/92/95/39/201929539.db2.gz CIRFIMMUOUBLQZ-UHFFFAOYSA-N 0 0 349.398 2.272 50 30 EEEARN CC1(C)CC(=O)C=C(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)O1 ZINC000023619592 202105537 /nfs/dbraw/zinc/10/55/37/202105537.db2.gz JVMJCAXOXBBJEP-NSHDSACASA-N 0 0 348.424 2.162 50 30 EEEARN Cc1cc(C(F)(F)F)nn1CC(=N)NOC(=O)c1ccccc1 ZINC000036612126 202325755 /nfs/dbraw/zinc/32/57/55/202325755.db2.gz XDOQVRXIJNYJKF-UHFFFAOYSA-N 0 0 326.278 2.340 50 30 EEEARN Cc1cc(C(=O)NCC#CCOc2ccc3c(c2)OCO3)c(C)o1 ZINC000090730850 203010687 /nfs/dbraw/zinc/01/06/87/203010687.db2.gz RIHAVMWFXPZERD-UHFFFAOYSA-N 0 0 327.336 2.437 50 30 EEEARN C=CCn1cnc2c1c(=O)n(C(C)C)c(=O)n2-c1ccc(F)cc1 ZINC000037558867 204277215 /nfs/dbraw/zinc/27/72/15/204277215.db2.gz VFCDVQHJRYNNRU-UHFFFAOYSA-N 0 0 328.347 2.255 50 30 EEEARN C#Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000014977536 211781430 /nfs/dbraw/zinc/78/14/30/211781430.db2.gz UEMKLKVEKZRRIO-LJQANCHMSA-N 0 0 332.403 2.241 50 30 EEEARN COc1ccc(OC)c(NC(=O)ON2C(=O)c3ccccc3C2=O)c1 ZINC000000398368 206237269 /nfs/dbraw/zinc/23/72/69/206237269.db2.gz VIVRSLBVKPZRSF-UHFFFAOYSA-N 0 0 342.307 2.464 50 30 EEEARN C=CCn1c2ccccc2nc1N1CCC(C(=O)NCCOC)CC1 ZINC000012116472 211296517 /nfs/dbraw/zinc/29/65/17/211296517.db2.gz GFBOTBMUZGARMX-UHFFFAOYSA-N 0 0 342.443 2.201 50 30 EEEARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 ZINC000012759354 207246450 /nfs/dbraw/zinc/24/64/50/207246450.db2.gz CKVRMNRJTYGEBT-CJNGLKHVSA-N 0 0 349.456 2.187 50 30 EEEARN N#Cc1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000012783599 207243127 /nfs/dbraw/zinc/24/31/27/207243127.db2.gz NBIJYUABIIUUDO-UHFFFAOYSA-N 0 0 338.392 2.222 50 30 EEEARN C=CCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC ZINC000004918667 210324447 /nfs/dbraw/zinc/32/44/47/210324447.db2.gz AIOZCZVHDUONFR-OAHLLOKOSA-N 0 0 348.424 2.226 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(F)cc1 ZINC000006700062 258044986 /nfs/dbraw/zinc/04/49/86/258044986.db2.gz MONDWIQLMZXVKE-SNVBAGLBSA-N 0 0 336.392 2.321 50 30 EEEARN C=CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002170586 258016967 /nfs/dbraw/zinc/01/69/67/258016967.db2.gz YRJBPYUSWPVPES-KRWDZBQOSA-N 0 0 344.436 2.295 50 30 EEEARN C=C(C)Cn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001266755 258017624 /nfs/dbraw/zinc/01/76/24/258017624.db2.gz UWVUXKZVTWISKN-UHFFFAOYSA-N 0 0 328.397 2.151 50 30 EEEARN CCOc1ccc(NC(=O)N2CCO[C@@H](CCOC)C2)cc1C#N ZINC000299762459 258079194 /nfs/dbraw/zinc/07/91/94/258079194.db2.gz WZCMRBZWWMIJQZ-HNNXBMFYSA-N 0 0 333.388 2.226 50 30 EEEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)c(OC)c1 ZINC000000222595 295217931 /nfs/dbraw/zinc/21/79/31/295217931.db2.gz GYIURBTTYXIOKU-MRXNPFEDSA-N 0 0 326.356 2.317 50 30 EEEARN N#CCCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000032097128 303153510 /nfs/dbraw/zinc/15/35/10/303153510.db2.gz AEKBAUPFDUUTLU-MRXNPFEDSA-N 0 0 346.818 2.478 50 30 EEEARN CNC(=O)N(O)[C@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C ZINC000000060620 462540830 /nfs/dbraw/zinc/54/08/30/462540830.db2.gz LLUWLPIEHXDRJH-CULDGANSSA-N 0 0 328.419 2.083 50 30 EEEARN O=S(=O)(N/N=C/c1ccco1)c1ccc(Br)cc1 ZINC000000284806 462552064 /nfs/dbraw/zinc/55/20/64/462552064.db2.gz LRPFPVCSKOLMFB-MDWZMJQESA-N 0 0 329.175 2.355 50 30 EEEARN N#Cc1c2c(sc1NC(=O)Cn1ccc([N+](=O)[O-])n1)CCCC2 ZINC000001070326 462575942 /nfs/dbraw/zinc/57/59/42/462575942.db2.gz WMVCDGIGGWWSJL-UHFFFAOYSA-N 0 0 331.357 2.242 50 30 EEEARN COC(=O)c1cccc(/N=C/c2ccc(OCC(N)=O)cc2)c1C ZINC000004698840 462637156 /nfs/dbraw/zinc/63/71/56/462637156.db2.gz OXMVJAXJHZRQGY-KEBDBYFISA-N 0 0 326.352 2.396 50 30 EEEARN CCOC(=O)C(N=Nc1cc(C(N)=O)c(Cl)cc1Cl)C(C)=O ZINC000004989557 462641965 /nfs/dbraw/zinc/64/19/65/462641965.db2.gz SKYDZJXJLBJPHN-WOJGMQOQSA-N 0 0 346.170 2.012 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(F)c1 ZINC000005248941 462652491 /nfs/dbraw/zinc/65/24/91/462652491.db2.gz XJZPWOWBTUXLPV-MRXNPFEDSA-N 0 0 343.358 2.397 50 30 EEEARN C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000006156807 462678799 /nfs/dbraw/zinc/67/87/99/462678799.db2.gz ODYSOIBJTDPGMU-SNVBAGLBSA-N 0 0 342.804 2.193 50 30 EEEARN C[C@H](NC(=O)COc1ccccc1C#N)c1ccc(-n2cncn2)cc1 ZINC000006541002 462689972 /nfs/dbraw/zinc/68/99/72/462689972.db2.gz HGWYSLWTFKTBLU-AWEZNQCLSA-N 0 0 347.378 2.395 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 ZINC000006741781 462702061 /nfs/dbraw/zinc/70/20/61/462702061.db2.gz KTJXSOQAQXPZFM-UHFFFAOYSA-N 0 0 346.408 2.412 50 30 EEEARN C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)N(C)Cc1ccccc1 ZINC000007046167 462718520 /nfs/dbraw/zinc/71/85/20/462718520.db2.gz FOEMMKQCOZYRGM-LLVKDONJSA-N 0 0 327.413 2.070 50 30 EEEARN CCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C#N ZINC000007322064 462730262 /nfs/dbraw/zinc/73/02/62/462730262.db2.gz MQNHCBQMKXIXKR-UHFFFAOYSA-N 0 0 338.363 2.430 50 30 EEEARN Cc1nc(C(=O)NC2CCN(c3ncccc3C#N)CC2)cs1 ZINC000065403291 462764816 /nfs/dbraw/zinc/76/48/16/462764816.db2.gz NSCVDHCXUPBJRX-UHFFFAOYSA-N 0 0 327.413 2.117 50 30 EEEARN C[C@@]1(CCc2ccc(Oc3ncccc3C#N)cc2)NC(=O)NC1=O ZINC000008747254 462794282 /nfs/dbraw/zinc/79/42/82/462794282.db2.gz GVAOWQMBBZMGQI-SFHVURJKSA-N 0 0 336.351 2.276 50 30 EEEARN COc1ccc(CN(C)C(=O)COC(=O)c2ccc(C#N)cc2)cc1 ZINC000010808072 462822932 /nfs/dbraw/zinc/82/29/32/462822932.db2.gz HNVJJHSGMWHHBQ-UHFFFAOYSA-N 0 0 338.363 2.382 50 30 EEEARN CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000010843863 462823860 /nfs/dbraw/zinc/82/38/60/462823860.db2.gz YDMXRFFUJJMUPI-UHFFFAOYSA-N 0 0 345.399 2.016 50 30 EEEARN C=C(C)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000012815080 462869872 /nfs/dbraw/zinc/86/98/72/462869872.db2.gz JIZYCTREBHRGSG-IBGZPJMESA-N 0 0 342.395 2.493 50 30 EEEARN C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2C1=O ZINC000012797454 462870208 /nfs/dbraw/zinc/87/02/08/462870208.db2.gz QPHDEFGIZXDKIM-UHFFFAOYSA-N 0 0 338.367 2.071 50 30 EEEARN Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000014143640 462913699 /nfs/dbraw/zinc/91/36/99/462913699.db2.gz NSNIZGOYNLALBV-UHFFFAOYSA-N 0 0 349.350 2.169 50 30 EEEARN COCC[C@]1(O)CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1C ZINC000092001611 462917194 /nfs/dbraw/zinc/91/71/94/462917194.db2.gz GPYSCQLETHYSDC-AUUYWEPGSA-N 0 0 329.444 2.446 50 30 EEEARN N#Cc1ccc(OC[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 ZINC000014246725 462922036 /nfs/dbraw/zinc/92/20/36/462922036.db2.gz CMPYREQQXNSLTQ-HNNXBMFYSA-N 0 0 342.395 2.007 50 30 EEEARN CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc(C)s1 ZINC000096104849 463174142 /nfs/dbraw/zinc/17/41/42/463174142.db2.gz CCSSJLRFXVGXOJ-AWEZNQCLSA-N 0 0 343.408 2.371 50 30 EEEARN N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cn2)CC1 ZINC000122919912 463301484 /nfs/dbraw/zinc/30/14/84/463301484.db2.gz JSJFCCGHIBYYIC-UHFFFAOYSA-N 0 0 325.347 2.446 50 30 EEEARN C=CCN(CC=C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 ZINC000071771921 463425041 /nfs/dbraw/zinc/42/50/41/463425041.db2.gz WOOCPVYWSSJDNP-UHFFFAOYSA-N 0 0 330.413 2.070 50 30 EEEARN C=CCN(C(=O)[C@@H](C)OC(C)=O)c1nc(C)c(C(=O)OCC)s1 ZINC000036612011 463437610 /nfs/dbraw/zinc/43/76/10/463437610.db2.gz JAYNOLPBESODLB-SNVBAGLBSA-N 0 0 340.401 2.099 50 30 EEEARN C=CCN1CC2=C(C1=O)[C@H](c1c(OC)ccc3ccccc31)NC(=O)N2 ZINC000057531444 463498905 /nfs/dbraw/zinc/49/89/05/463498905.db2.gz JPYILDZFZCPUMK-SFHVURJKSA-N 0 0 349.390 2.485 50 30 EEEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3C=C[C@H]4[C@H]3[C@@H]3[C@H]2C=C[C@@H]3[C@@H]4O)cc1 ZINC000257359135 463789304 /nfs/dbraw/zinc/78/93/04/463789304.db2.gz YOVMTSGKEVCVEO-VCLRDMGRSA-N 0 0 344.432 2.294 50 30 EEEARN CCN1C(=O)/C(=C/c2ccc(Cl)nc2)SC1=Nn1cnnc1 ZINC000252428360 464955107 /nfs/dbraw/zinc/95/51/07/464955107.db2.gz ZQXUZSJKVIQLMP-CJWGJNLSSA-N 0 0 334.792 2.082 50 30 EEEARN Cc1cccc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c1 ZINC000013957767 524721642 /nfs/dbraw/zinc/72/16/42/524721642.db2.gz YMGYHJGOHPQTKP-UHFFFAOYSA-N 0 0 329.312 2.146 50 30 EEEARN Cc1ccc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1C ZINC000018161706 525397247 /nfs/dbraw/zinc/39/72/47/525397247.db2.gz FKFLKZKSNYWISP-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN Cc1ccc(C(=O)NCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000008746673 526154412 /nfs/dbraw/zinc/15/44/12/526154412.db2.gz YTLFSSSULOOPSN-CQSZACIVSA-N 0 0 332.363 2.478 50 30 EEEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(N(CCO)CCO)cc2)cc1 ZINC000002164985 527346303 /nfs/dbraw/zinc/34/63/03/527346303.db2.gz JFWPEGIUZVSGJG-QGOAFFKASA-N 0 0 329.356 2.136 50 30 EEEARN CN1CCN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)C[C@H]1CCO ZINC000426628348 536407198 /nfs/dbraw/zinc/40/71/98/536407198.db2.gz VZLBKAJIPBPOHH-HXUWFJFHSA-N 0 0 349.434 2.364 50 30 EEEARN C=CCN1C(=O)C(=C2c3ccccc3N(CCCC)C2=O)NC1=S ZINC000100870284 219110105 /nfs/dbraw/zinc/11/01/05/219110105.db2.gz HLTGVJSCWBTCDY-PFONDFGASA-N 0 0 341.436 2.447 50 30 EEEARN O=C(NC[C@@H]1CCCO1)c1ccc(NC=C2C(=O)CCCC2=O)cc1 ZINC000003623978 210069490 /nfs/dbraw/zinc/06/94/90/210069490.db2.gz MWSZCNAEZJNSHV-HNNXBMFYSA-N 0 0 342.395 2.213 50 30 EEEARN COc1cc(-c2cc(C(C)C)nc(N)c2C#N)ccc1OCC(N)=O ZINC000067650815 215174562 /nfs/dbraw/zinc/17/45/62/215174562.db2.gz NEWDOAOZLBODNB-UHFFFAOYSA-N 0 0 340.383 2.199 50 30 EEEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC[C@@H]1CCCO1 ZINC000029161611 212654646 /nfs/dbraw/zinc/65/46/46/212654646.db2.gz JYKLPHOINAMVGR-RYUDHWBXSA-N 0 0 326.356 2.001 50 30 EEEARN CN(/N=C/c1cc(Cl)ccc1O)C1=NS(=O)(=O)c2ccccc21 ZINC000000117451 209432192 /nfs/dbraw/zinc/43/21/92/209432192.db2.gz OIIYRSIUJNWFSI-RQZCQDPDSA-N 0 0 349.799 2.460 50 30 EEEARN N#Cc1ccc(OCCN2C(=O)C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000027275130 212550982 /nfs/dbraw/zinc/55/09/82/212550982.db2.gz ULMOTTXNIVKJHR-UHFFFAOYSA-N 0 0 341.367 2.061 50 30 EEEARN C=CCOc1ccccc1/C=C1/SC(N2CCN(C)CC2)=NC1=O ZINC000023109636 212348072 /nfs/dbraw/zinc/34/80/72/212348072.db2.gz SOLXUYNSAWGCLX-DTQAZKPQSA-N 0 0 343.452 2.469 50 30 EEEARN CC1(C)C[C@@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4O)CCO1 ZINC000019331538 212016867 /nfs/dbraw/zinc/01/68/67/212016867.db2.gz ZIFJKFKHHJEKHG-ZQAPWMODSA-N 0 0 347.503 2.210 50 30 biogenic EEEARN COc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1OC ZINC000013111604 211522796 /nfs/dbraw/zinc/52/27/96/211522796.db2.gz ZEHUTGJKFLTPQQ-SFQUDFHCSA-N 0 0 334.397 2.406 50 30 EEEARN CO/N=C\Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)=O ZINC000012351811 211354050 /nfs/dbraw/zinc/35/40/50/211354050.db2.gz QNXCTLQMEREIIY-NVMNQCDNSA-N 0 0 328.324 2.269 50 30 EEEARN C[C@@H](c1nn[nH]n1)n1cc(-c2ccccc2C#Cc2ccccc2)nn1 ZINC000091770265 218063266 /nfs/dbraw/zinc/06/32/66/218063266.db2.gz AGOQJXJHSGSNLM-AWEZNQCLSA-N 0 0 341.378 2.467 50 30 EEEARN C=C(C)Cn1c(=O)c2c(nc3n2c(C)c(C)n3[C@@H](C)CC)n(C)c1=O ZINC000010104235 275418362 /nfs/dbraw/zinc/41/83/62/275418362.db2.gz JHZRINUAMUHOOJ-NSHDSACASA-N 0 0 343.431 2.313 50 30 EEEARN COc1cc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)ccc1O ZINC000009047419 277366688 /nfs/dbraw/zinc/36/66/88/277366688.db2.gz RXRFWPWFSWLGEP-LCYFTJDESA-N 0 0 345.376 2.259 50 30 EEEARN Cc1cccc([C@@H](C(=O)N2CCCn3nc(C#N)cc3C2)N(C)C)c1 ZINC000065397348 281251934 /nfs/dbraw/zinc/25/19/34/281251934.db2.gz NURZDTLZESFMOE-SFHVURJKSA-N 0 0 337.427 2.098 50 30 EEEARN S=C(NCCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 ZINC000000072062 462541487 /nfs/dbraw/zinc/54/14/87/462541487.db2.gz GWGUZFYHVYTRTE-YBFXNURJSA-N 0 0 327.409 2.456 50 30 EEEARN COc1cc(/C=N/n2cnc3c(sc(=S)n3C)c2=O)ccc1O ZINC000000156816 462544333 /nfs/dbraw/zinc/54/43/33/462544333.db2.gz GPQKYVHYMFIOSY-OMCISZLKSA-N 0 0 348.409 2.122 50 30 EEEARN CCN1CCN(c2oc(-c3ccc(OC)c(OC)c3)nc2C#N)CC1 ZINC000005177654 462647908 /nfs/dbraw/zinc/64/79/08/462647908.db2.gz GGBUQTRAPILSTC-UHFFFAOYSA-N 0 0 342.399 2.372 50 30 EEEARN CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000005342406 462655990 /nfs/dbraw/zinc/65/59/90/462655990.db2.gz LBDWQOGLKVUGDZ-JJLJGCLUSA-N 0 0 338.454 2.088 50 30 EEEARN N#Cc1cc([N+](=O)[O-])cn(Cc2c(F)c(F)c(F)c(F)c2F)c1=O ZINC000007534800 462740039 /nfs/dbraw/zinc/74/00/39/462740039.db2.gz STMRQOZHYUJYRV-UHFFFAOYSA-N 0 0 345.183 2.372 50 30 EEEARN Nc1nnnn1N=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000008575283 462789420 /nfs/dbraw/zinc/78/94/20/462789420.db2.gz MZIQYGXEYOZXSW-UHFFFAOYSA-N 0 0 328.763 2.370 50 30 aggregator EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000012343814 462850399 /nfs/dbraw/zinc/85/03/99/462850399.db2.gz JHGWLACLZFAEBV-UHFFFAOYSA-N 0 0 344.436 2.123 50 30 EEEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N\OC(C)=O)CCC2 ZINC000013941934 462905997 /nfs/dbraw/zinc/90/59/97/462905997.db2.gz WENWTCKQEKYVPF-BOPFTXTBSA-N 0 0 338.385 2.487 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCO[C@@H](C)C3)sc2C1 ZINC000014139331 462913561 /nfs/dbraw/zinc/91/35/61/462913561.db2.gz XIOFORDSZYDHPS-RYUDHWBXSA-N 0 0 333.457 2.404 50 30 EEEARN C=CC[C@]1(CO)CCCN(S(=O)(=O)CCOc2ccccc2)C1 ZINC000092022788 462920121 /nfs/dbraw/zinc/92/01/21/462920121.db2.gz BVAOWEGQWJKMPF-KRWDZBQOSA-N 0 0 339.457 2.046 50 30 EEEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccncc2)cc1 ZINC000017124070 462996111 /nfs/dbraw/zinc/99/61/11/462996111.db2.gz RDGPFOSDNDSNSJ-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN N#Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000023955918 463074554 /nfs/dbraw/zinc/07/45/54/463074554.db2.gz SQCYXUVQTCXRTI-UHFFFAOYSA-N 0 0 335.407 2.320 50 30 EEEARN COc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cn1 ZINC000024049461 463076823 /nfs/dbraw/zinc/07/68/23/463076823.db2.gz YFUVSVWFCQXJGL-UHFFFAOYSA-N 0 0 327.388 2.389 50 30 EEEARN CN(CC(=O)NC1(C#N)CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC000032832563 463399142 /nfs/dbraw/zinc/39/91/42/463399142.db2.gz BHGGGGSKBXYBJZ-UHFFFAOYSA-N 0 0 343.427 2.232 50 30 EEEARN CSc1ncc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cn1 ZINC000071776549 463424531 /nfs/dbraw/zinc/42/45/31/463424531.db2.gz ULKSMCIHTKXNAK-UHFFFAOYSA-N 0 0 337.412 2.423 50 30 EEEARN CC[C@@H](C#N)S(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000108134334 463590993 /nfs/dbraw/zinc/59/09/93/463590993.db2.gz LKONXBIIFJRICU-LSDHHAIUSA-N 0 0 348.403 2.269 50 30 EEEARN CSC(NS(=O)(=O)c1ccc(C)cc1)=C(C(C)=O)C(C)=O ZINC000108614720 463619617 /nfs/dbraw/zinc/61/96/17/463619617.db2.gz ISMQUVLWVSAGDW-CCEZHUSRSA-N 0 0 327.427 2.239 50 30 EEEARN COc1ccc(OC)c(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000238856399 464439149 /nfs/dbraw/zinc/43/91/49/464439149.db2.gz VXFMJZDIOLMQTJ-UHFFFAOYSA-N 0 0 338.411 2.293 50 30 EEEARN C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 ZINC000000079523 518625942 /nfs/dbraw/zinc/62/59/42/518625942.db2.gz ULUBOWWPZXFXIV-UHFFFAOYSA-N 0 0 342.424 2.140 50 30 EEEARN C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000003050859 518887896 /nfs/dbraw/zinc/88/78/96/518887896.db2.gz MFUBKRCYSJEABV-UHFFFAOYSA-N 0 0 330.409 2.184 50 30 EEEARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N=C1NCCS1 ZINC000036724885 519820301 /nfs/dbraw/zinc/82/03/01/519820301.db2.gz CQJUGUFJLRGCBU-LBPRGKRZSA-N 0 0 339.848 2.313 50 30 EEEARN N#CCCNC(=O)CN(Cc1ccc(Br)cc1)C1CC1 ZINC000026332230 526460196 /nfs/dbraw/zinc/46/01/96/526460196.db2.gz JSTLXMBAZHUDLK-UHFFFAOYSA-N 0 0 336.233 2.443 50 30 EEEARN Cc1c(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(C#N)n1C ZINC000005559329 1204328335 /nfs/dbraw/zinc/32/83/35/1204328335.db2.gz CZJIABPIJAKGLU-OVCLIPMQSA-N 0 0 336.307 2.458 50 30 EEEARN C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@@H]1COC ZINC000952961188 796078210 /nfs/dbraw/zinc/07/82/10/796078210.db2.gz USJHIVVHFCTULF-CQSZACIVSA-N 0 0 330.475 2.092 50 30 EEEARN C=CCOc1cc(Cl)c(CN2CCS(=O)(=O)CC2)cc1OC ZINC000820491543 798580712 /nfs/dbraw/zinc/58/07/12/798580712.db2.gz BJXLWLKWZNZCFM-UHFFFAOYSA-N 0 0 345.848 2.144 50 30 EEEARN O=C1C(=NNc2ccccc2)c2ccccc2N1CN1CCOCC1 ZINC000100912338 219111082 /nfs/dbraw/zinc/11/10/82/219111082.db2.gz DEBHGCFLCCVNHZ-UZYVYHOESA-N 0 0 336.395 2.139 50 30 EEEARN N#Cc1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100967972 219112591 /nfs/dbraw/zinc/11/25/91/219112591.db2.gz CQOIPNYHXFJQOD-GJZGRUSLSA-N 0 0 325.368 2.062 50 30 EEEARN C=C(C)Cn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004170043 210138076 /nfs/dbraw/zinc/13/80/76/210138076.db2.gz LKXDAFYSVVPWHT-UHFFFAOYSA-N 0 0 342.424 2.459 50 30 EEEARN N#Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1Cl ZINC000003343913 210013033 /nfs/dbraw/zinc/01/30/33/210013033.db2.gz LVIKDRDUCQIMOS-UHFFFAOYSA-N 0 0 325.806 2.376 50 30 EEEARN CC[C@@H](c1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o1)N(C)C ZINC000003332122 210008989 /nfs/dbraw/zinc/00/89/89/210008989.db2.gz DMDJTTAZDUTRCJ-NHYWBVRUSA-N 0 0 339.465 2.229 50 30 EEEARN C=CCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1 ZINC000002948924 209944525 /nfs/dbraw/zinc/94/45/25/209944525.db2.gz ARXFQOTZTGBQAS-QINSGFPZSA-N 0 0 326.352 2.361 50 30 EEEARN CC1=C(C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)NC(=O)N1 ZINC000067847582 215230054 /nfs/dbraw/zinc/23/00/54/215230054.db2.gz LMICXPUNRVLVLQ-CYBMUJFWSA-N 0 0 338.411 2.046 50 30 EEEARN C=CCOC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067851256 215232128 /nfs/dbraw/zinc/23/21/28/215232128.db2.gz GIEIFUMJLRSKMM-CQSZACIVSA-N 0 0 342.399 2.073 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000000377301 290925518 /nfs/dbraw/zinc/92/55/18/290925518.db2.gz FNEAMGZQLBPEED-ZDUSSCGKSA-N 0 0 335.306 2.429 50 30 EEEARN C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccccc1C#N ZINC000024977328 212450631 /nfs/dbraw/zinc/45/06/31/212450631.db2.gz BQIPZXYUYFZIFJ-LBPRGKRZSA-N 0 0 334.335 2.390 50 30 EEEARN CCc1noc(C)c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023797015 212396807 /nfs/dbraw/zinc/39/68/07/212396807.db2.gz BVLBMVXNLPROOX-UHFFFAOYSA-N 0 0 338.411 2.375 50 30 EEEARN COC(=O)CC(C)(C)/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 ZINC000015746102 211849146 /nfs/dbraw/zinc/84/91/46/211849146.db2.gz CYCLBIGUAFAYPH-FOWTUZBSSA-N 0 0 326.418 2.239 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)CC(=O)N2 ZINC000004944212 210333988 /nfs/dbraw/zinc/33/39/88/210333988.db2.gz KNMNRFLYYQUELH-SNVBAGLBSA-N 0 0 329.356 2.108 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000004866138 210306977 /nfs/dbraw/zinc/30/69/77/210306977.db2.gz GWPGIRMBTHOMJP-UHFFFAOYSA-N 0 0 330.409 2.332 50 30 EEEARN N#Cc1ccc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000119760271 221394714 /nfs/dbraw/zinc/39/47/14/221394714.db2.gz VEWHZHBAPZGVPP-CYBMUJFWSA-N 0 0 348.834 2.398 50 30 EEEARN COc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000037133001 132393372 /nfs/dbraw/zinc/39/33/72/132393372.db2.gz UOCQLJIYZAXGIU-UHFFFAOYSA-N 0 0 338.411 2.293 50 30 EEEARN C=CCn1c(Oc2cc(C)ccc2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000000181239 462545570 /nfs/dbraw/zinc/54/55/70/462545570.db2.gz JJVPINNJXFOOJE-UHFFFAOYSA-N 0 0 340.383 2.029 50 30 EEEARN CNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000000459778 462564262 /nfs/dbraw/zinc/56/42/62/462564262.db2.gz FGCLIJJCCNFZEB-LZYBPNLTSA-N 0 0 334.357 2.291 50 30 EEEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000000614418 462572415 /nfs/dbraw/zinc/57/24/15/462572415.db2.gz IVQNOOLRQZTJCA-UHFFFAOYSA-N 0 0 340.408 2.400 50 30 EEEARN Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)cc1 ZINC000005152654 462645695 /nfs/dbraw/zinc/64/56/95/462645695.db2.gz QFZHOUMXAQGWIR-UHFFFAOYSA-N 0 0 342.358 2.238 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000005212748 462650128 /nfs/dbraw/zinc/65/01/28/462650128.db2.gz LOKJFDCEMMMFQA-UHFFFAOYSA-N 0 0 348.453 2.284 50 30 EEEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c(C)nn(C)c1C ZINC000005593698 462663797 /nfs/dbraw/zinc/66/37/97/462663797.db2.gz QCQDPITVLGBTDK-KRWDZBQOSA-N 0 0 329.400 2.178 50 30 EEEARN CCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1 ZINC000005728189 462667266 /nfs/dbraw/zinc/66/72/66/462667266.db2.gz MLNPGAFNRQNWKQ-INIZCTEOSA-N 0 0 329.400 2.352 50 30 EEEARN NN=C(c1nc2ccc(Cl)cc2[nH]c1=O)[C@H](O)c1ccccc1O ZINC000006025593 462674592 /nfs/dbraw/zinc/67/45/92/462674592.db2.gz PJTXXBJEZXRNPS-PJMHOZITSA-N 0 0 344.758 2.091 50 30 EEEARN COc1cccc(C[C@H]2S/C(=N\N=C\c3ccco3)NC2=O)c1 ZINC000006007306 462674933 /nfs/dbraw/zinc/67/49/33/462674933.db2.gz YWUOTTFOILBMLW-NGWPFTMJSA-N 0 0 329.381 2.452 50 30 EEEARN CCCOc1ccc(N2C(=O)C(=O)N(CC#N)C2=O)cc1OCCC ZINC000007509474 462738272 /nfs/dbraw/zinc/73/82/72/462738272.db2.gz KWLZNIXFWCHSMA-UHFFFAOYSA-N 0 0 345.355 2.083 50 30 EEEARN Cc1ccc(-c2nnn(CC(=O)OCc3ccc(C#N)cc3)n2)cc1 ZINC000007711242 462746867 /nfs/dbraw/zinc/74/68/67/462746867.db2.gz ADGYPZFULBDTPY-UHFFFAOYSA-N 0 0 333.351 2.264 50 30 EEEARN N#CCC[C@H](C#N)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000012894823 462874427 /nfs/dbraw/zinc/87/44/27/462874427.db2.gz KZMLZTMVYBYVAH-SECBINFHSA-N 0 0 331.719 2.402 50 30 EEEARN C=CCSc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1 ZINC000012975434 462878594 /nfs/dbraw/zinc/87/85/94/462878594.db2.gz XGJWYGFKJSQMJZ-UHFFFAOYSA-N 0 0 345.413 2.044 50 30 EEEARN NS(=O)(=O)c1ccc(CNC(=S)NC2CCCCC2)cc1 ZINC000013545182 462895783 /nfs/dbraw/zinc/89/57/83/462895783.db2.gz NPEWWESZMIFOGO-UHFFFAOYSA-N 0 0 327.475 2.042 50 30 EEEARN C#CCOC[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000049031856 462950971 /nfs/dbraw/zinc/95/09/71/462950971.db2.gz DEKDNSSFNBNJLB-LBPRGKRZSA-N 0 0 329.368 2.015 50 30 EEEARN CCOc1cc(C=NNC(N)=S)cc(Br)c1OC ZINC000016688296 462987336 /nfs/dbraw/zinc/98/73/36/462987336.db2.gz GMDVMFQFGSRNOR-UHFFFAOYSA-N 0 0 332.223 2.024 50 30 EEEARN CCc1ccc(S(=O)(=O)N/N=C2\c3cccc(C)c3NC2=O)cc1 ZINC000017071673 462994654 /nfs/dbraw/zinc/99/46/54/462994654.db2.gz GNUUIRPCVHRLMG-UHFFFAOYSA-N 0 0 343.408 2.192 50 30 EEEARN C=CCc1ccc(OC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000019772719 463020890 /nfs/dbraw/zinc/02/08/90/463020890.db2.gz KDUGLTZTMQVDGV-UXLLHSPISA-N 0 0 335.444 2.273 50 30 EEEARN CCOC(=O)N1CCC[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000025105780 463109723 /nfs/dbraw/zinc/10/97/23/463109723.db2.gz WQBZPRHGMUTFTK-MRXNPFEDSA-N 0 0 329.400 2.385 50 30 EEEARN COCCc1nc(C2(C#N)CCOCC2)n(-c2ccc(F)cc2F)n1 ZINC000096140337 463186399 /nfs/dbraw/zinc/18/63/99/463186399.db2.gz RKDDUXLWHGSQBY-UHFFFAOYSA-N 0 0 348.353 2.306 50 30 EEEARN N#Cc1cccc(NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000027907555 463208369 /nfs/dbraw/zinc/20/83/69/463208369.db2.gz MPVMEURXQQTQCS-UHFFFAOYSA-N 0 0 348.406 2.260 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)c3cc(Cl)ccc3O)CC2)c1 ZINC000030936711 463318466 /nfs/dbraw/zinc/31/84/66/463318466.db2.gz YYTTUWWRWFJQCF-UHFFFAOYSA-N 0 0 342.786 2.275 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000101329415 463377466 /nfs/dbraw/zinc/37/74/66/463377466.db2.gz KKHJGBIRUSYQPY-QIIPPGSGSA-N 0 0 346.358 2.039 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000101329411 463377492 /nfs/dbraw/zinc/37/74/92/463377492.db2.gz KKHJGBIRUSYQPY-DHSIGJKJSA-N 0 0 346.358 2.039 50 30 EEEARN CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc1C ZINC000032672374 463386802 /nfs/dbraw/zinc/38/68/02/463386802.db2.gz WXSBRYFKKCFKOD-JSGCOSHPSA-N 0 0 347.440 2.240 50 30 EEEARN Cc1nn(C)c(C)c1C=CC(O)=C(C#N)C(=O)NC1CCCCC1 ZINC000104047688 463408497 /nfs/dbraw/zinc/40/84/97/463408497.db2.gz CPXHNUFTXGGABH-YDZSZYSISA-N 0 0 328.416 2.208 50 30 EEEARN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Br ZINC000281635532 464529121 /nfs/dbraw/zinc/52/91/21/464529121.db2.gz XVHUACIYWNPUSU-NOZJJQNGSA-N 0 0 342.237 2.446 50 30 EEEARN C=C(C)COc1ccccc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000055107534 518620693 /nfs/dbraw/zinc/62/06/93/518620693.db2.gz VLEGXTOTDGWTHN-LJQANCHMSA-N 0 0 344.455 2.465 50 30 EEEARN C=CCNC(=O)NC1CCN(c2ccccc2C(=O)NC2CC2)CC1 ZINC000037525850 518909371 /nfs/dbraw/zinc/90/93/71/518909371.db2.gz FHVIYLDNVYPZSF-UHFFFAOYSA-N 0 0 342.443 2.033 50 30 EEEARN COc1ccccc1N(CCC#N)C(=O)COC(=O)c1cccn1C ZINC000003361864 524530020 /nfs/dbraw/zinc/53/00/20/524530020.db2.gz GBDVMTDEIMQVOF-UHFFFAOYSA-N 0 0 341.367 2.137 50 30 EEEARN N#CCc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1 ZINC000014527742 526483043 /nfs/dbraw/zinc/48/30/43/526483043.db2.gz IZPDEXOTSLQUKO-UHFFFAOYSA-N 0 0 340.358 2.330 50 30 EEEARN CN(Cc1ccc2nonc2c1)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000952984732 796148795 /nfs/dbraw/zinc/14/87/95/796148795.db2.gz AGLNGSZVJUFKNK-UHFFFAOYSA-N 0 0 339.351 2.210 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000500637 290926006 /nfs/dbraw/zinc/92/60/06/290926006.db2.gz DYZVINKXLVASDM-CYBMUJFWSA-N 0 0 344.323 2.059 50 30 EEEARN COC(CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1)OC ZINC000000813445 209690021 /nfs/dbraw/zinc/69/00/21/209690021.db2.gz BRZAAUXGJNFBNW-CQSZACIVSA-N 0 0 339.775 2.243 50 30 EEEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 ZINC000000239939 209499398 /nfs/dbraw/zinc/49/93/98/209499398.db2.gz FMFDKCBBKYNMPR-UHFFFAOYSA-N 0 0 334.441 2.285 50 30 EEEARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1 ZINC000027555364 212564166 /nfs/dbraw/zinc/56/41/66/212564166.db2.gz WPMLDYBRQMNMKQ-LBPRGKRZSA-N 0 0 327.409 2.157 50 30 EEEARN N#Cc1ccc(-c2ccccn2)nc1SCCN1CCOCC1 ZINC000020622583 212157167 /nfs/dbraw/zinc/15/71/67/212157167.db2.gz VFXAODCJIWDKEE-UHFFFAOYSA-N 0 0 326.425 2.440 50 30 EEEARN CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCOC ZINC000018037441 211977486 /nfs/dbraw/zinc/97/74/86/211977486.db2.gz YGLKXFPAANEUKR-GZTJUZNOSA-N 0 0 332.360 2.092 50 30 EEEARN Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000017068803 211950631 /nfs/dbraw/zinc/95/06/31/211950631.db2.gz QYSDVWMFJOBDFX-RQZCQDPDSA-N 0 0 334.397 2.335 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000091548590 218019995 /nfs/dbraw/zinc/01/99/95/218019995.db2.gz KUHBDIIICKNTMU-FQEVSTJZSA-N 0 0 344.455 2.314 50 30 EEEARN Nc1nnnn1/N=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000010337240 211166018 /nfs/dbraw/zinc/16/60/18/211166018.db2.gz YDXRHZDYRNFFMH-AWQFTUOYSA-N 0 0 335.346 2.280 50 30 EEEARN Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000009721429 211118072 /nfs/dbraw/zinc/11/80/72/211118072.db2.gz FPNPGDSXIXWOSV-UHFFFAOYSA-N 0 0 334.383 2.379 50 30 EEEARN COc1ccc([C@@H]2CN(c3cc(C#N)ccn3)C[C@H]2NC(C)=O)cc1 ZINC000095517856 218424035 /nfs/dbraw/zinc/42/40/35/218424035.db2.gz ATHITHYAXFMSQT-ZWKOTPCHSA-N 0 0 336.395 2.070 50 30 EEEARN CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(C#N)c1 ZINC000007248187 210774037 /nfs/dbraw/zinc/77/40/37/210774037.db2.gz FBKYYRWMGXJIQG-CQSZACIVSA-N 0 0 344.392 2.019 50 30 EEEARN COc1cccc(C=NNc2nn3cnnc3c3ccccc32)c1O ZINC000004880237 210310432 /nfs/dbraw/zinc/31/04/32/210310432.db2.gz WDHBIANOOALAIX-GIJQJNRQSA-N 0 0 334.339 2.438 50 30 EEEARN COCCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(C)c(C#N)c1 ZINC000299795259 258099699 /nfs/dbraw/zinc/09/96/99/258099699.db2.gz LLKRECCJOHFYRF-CYBMUJFWSA-N 0 0 342.403 2.377 50 30 EEEARN N#Cc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 ZINC000299767872 258082154 /nfs/dbraw/zinc/08/21/54/258082154.db2.gz WXBZMKMFCZBMLG-UHFFFAOYSA-N 0 0 345.410 2.173 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)[C@@H]3CCCO3)sc2C1 ZINC000003362603 269890833 /nfs/dbraw/zinc/89/08/33/269890833.db2.gz QZXQVRLOCPOAQL-GWCFXTLKSA-N 0 0 348.424 2.405 50 30 EEEARN C=CCN1CCN(c2nc(C)c3c(c2C#N)CC(C)(C)OC3)CC1 ZINC000009481802 276895576 /nfs/dbraw/zinc/89/55/76/276895576.db2.gz SCTYMDBONHDCMZ-UHFFFAOYSA-N 0 0 326.444 2.421 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000018196170 280892339 /nfs/dbraw/zinc/89/23/39/280892339.db2.gz PSNOTQHXRYMXSP-HNNXBMFYSA-N 0 0 339.355 2.060 50 30 EEEARN CN(C)C1=C(C(=O)c2ccccc2)NS(=O)(=O)c2ccccc21 ZINC000000507468 289062697 /nfs/dbraw/zinc/06/26/97/289062697.db2.gz NXPOAQIZVCLZIW-UHFFFAOYSA-N 0 0 328.393 2.092 50 30 EEEARN Cc1cccc(C)c1-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O ZINC000006809467 301961667 /nfs/dbraw/zinc/96/16/67/301961667.db2.gz GMPUTFHZURGUAV-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN CC[C@H]1c2ccsc2CCN1C(=O)Cn1cnc(C#N)c1C#N ZINC000126276136 323326273 /nfs/dbraw/zinc/32/62/73/323326273.db2.gz GSMDRMOQGGXHJW-ZDUSSCGKSA-N 0 0 325.397 2.224 50 30 EEEARN COc1cc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)ccc1O ZINC000000500441 462567603 /nfs/dbraw/zinc/56/76/03/462567603.db2.gz TVCVSSGKHFFQAZ-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN C=CCn1c(N)c(C(=O)NCCCOC)c2nc3ccccc3nc21 ZINC000002403925 462592214 /nfs/dbraw/zinc/59/22/14/462592214.db2.gz ODTCOZDALUNXQE-UHFFFAOYSA-N 0 0 339.399 2.119 50 30 EEEARN CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000007436521 462735297 /nfs/dbraw/zinc/73/52/97/462735297.db2.gz KQTUTKFAVZBPGR-ZFWWWQNUSA-N 0 0 329.400 2.160 50 30 EEEARN C=CCn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccncc1 ZINC000007982506 462760704 /nfs/dbraw/zinc/76/07/04/462760704.db2.gz YNKLORSUSDSSIS-UHFFFAOYSA-N 0 0 342.380 2.477 50 30 EEEARN C=C(C)Cn1c(=O)c2c(nc3n2c(C)c(C)n3[C@H](C)CC)n(C)c1=O ZINC000010104233 462813396 /nfs/dbraw/zinc/81/33/96/462813396.db2.gz JHZRINUAMUHOOJ-LLVKDONJSA-N 0 0 343.431 2.313 50 30 EEEARN Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(=O)c(C#N)c1C ZINC000012766211 462867654 /nfs/dbraw/zinc/86/76/54/462867654.db2.gz CDRGMPMQPOFIGR-OAHLLOKOSA-N 0 0 341.411 2.295 50 30 EEEARN N#Cc1cccc(OC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1 ZINC000012941171 462877260 /nfs/dbraw/zinc/87/72/60/462877260.db2.gz YLWJESJTNVLBCM-UHFFFAOYSA-N 0 0 331.331 2.434 50 30 EEEARN Cc1ccc(CCNC(N)=NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013366809 462891713 /nfs/dbraw/zinc/89/17/13/462891713.db2.gz TZNFZISTAOQPDQ-UHFFFAOYSA-N 0 0 331.441 2.139 50 30 EEEARN COc1cc(C#N)ccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016084349 462969270 /nfs/dbraw/zinc/96/92/70/462969270.db2.gz MDQYQFFWXLDSEO-UHFFFAOYSA-N 0 0 347.348 2.106 50 30 EEEARN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(N)=O)[C@H]1c1ccco1 ZINC000020439771 463027423 /nfs/dbraw/zinc/02/74/23/463027423.db2.gz GQBPQIBYXRTVJF-IXDOHACOSA-N 0 0 330.347 2.292 50 30 EEEARN COCCN1CCC[C@@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O ZINC000095361587 463068514 /nfs/dbraw/zinc/06/85/14/463068514.db2.gz QPWPEPOABVRYNW-IBGZPJMESA-N 0 0 342.443 2.035 50 30 EEEARN Cc1nnc(NCc2ccccc2CN2CCOCC2)c(C#N)c1C ZINC000024054569 463076789 /nfs/dbraw/zinc/07/67/89/463076789.db2.gz SUSQOBOHNAVFFV-UHFFFAOYSA-N 0 0 337.427 2.409 50 30 EEEARN Cc1nn(-c2ccccc2)c(Cn2nnc3ccccc3c2=O)c1C#N ZINC000024141642 463079730 /nfs/dbraw/zinc/07/97/30/463079730.db2.gz UNFRPNDNIGTJHG-UHFFFAOYSA-N 0 0 342.362 2.206 50 30 EEEARN C=CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000095545574 463108684 /nfs/dbraw/zinc/10/86/84/463108684.db2.gz BZRKWCUOVDGIPG-WYMLVPIESA-N 0 0 330.818 2.146 50 30 EEEARN C[C@H](CNc1oc(-c2cccc(F)c2)nc1C#N)N1CCOCC1 ZINC000096346193 463236510 /nfs/dbraw/zinc/23/65/10/463236510.db2.gz WJAMKUCSTSGICM-GFCCVEGCSA-N 0 0 330.363 2.485 50 30 EEEARN C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1sccc1C#N ZINC000030009912 463283987 /nfs/dbraw/zinc/28/39/87/463283987.db2.gz MORMWYJFLVZICY-QMMMGPOBSA-N 0 0 327.369 2.228 50 30 EEEARN C=C(C)COc1ccccc1CN1CCC(NS(C)(=O)=O)CC1 ZINC000055099582 463285062 /nfs/dbraw/zinc/28/50/62/463285062.db2.gz NHMFFRATKZOVJY-UHFFFAOYSA-N 0 0 338.473 2.155 50 30 EEEARN COC(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1 ZINC000100819274 463375413 /nfs/dbraw/zinc/37/54/13/463375413.db2.gz ZGABQQKTGBNNPM-CYBMUJFWSA-N 0 0 338.323 2.221 50 30 EEEARN N#Cc1cccc(N2CCN(C(=O)CCc3cccs3)CC2=O)c1 ZINC000082136833 463518960 /nfs/dbraw/zinc/51/89/60/463518960.db2.gz MCPFJIQOEOGQPP-UHFFFAOYSA-N 0 0 339.420 2.428 50 30 EEEARN N#Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cn1 ZINC000252485454 464964055 /nfs/dbraw/zinc/96/40/55/464964055.db2.gz GVXUJPPAFCRRGU-UHFFFAOYSA-N 0 0 348.406 2.122 50 30 EEEARN Cc1ccc(C(C)(C)NC(=O)c2cn(CC3(C)COC3)nn2)cn1 ZINC000329778650 465431919 /nfs/dbraw/zinc/43/19/19/465431919.db2.gz LINMMKYUGHBVQI-UHFFFAOYSA-N 0 0 329.404 2.258 50 30 EEEARN COc1ccc(CNC2(C#N)CN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000329780337 465432903 /nfs/dbraw/zinc/43/29/03/465432903.db2.gz BJDLYJRUGUGVLH-UHFFFAOYSA-N 0 0 347.415 2.306 50 30 EEEARN C=CCNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955081 518885022 /nfs/dbraw/zinc/88/50/22/518885022.db2.gz JBUZCTQPTWTYOD-UHFFFAOYSA-N 0 0 326.400 2.251 50 30 EEEARN Cc1ccc(C)c(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c1 ZINC000004723510 524167841 /nfs/dbraw/zinc/16/78/41/524167841.db2.gz LNSQPLPMXJHZCH-UHFFFAOYSA-N 0 0 343.339 2.454 50 30 EEEARN Cc1ccc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000018161866 525396904 /nfs/dbraw/zinc/39/69/04/525396904.db2.gz LLZLYKBAKLVIMP-UHFFFAOYSA-N 0 0 329.312 2.146 50 30 EEEARN OCC#Cc1ccc(-c2nccn2C[C@@H](O)c2ccc(O)cc2)s1 ZINC000077439943 1370940106 /nfs/dbraw/zinc/94/01/06/1370940106.db2.gz FIMCDKIWLOWSHA-MRXNPFEDSA-N 0 0 340.404 2.395 50 30 EEEARN COc1ccc(CN2CCn3nc(C#N)cc3C2)cc1Cn1cccn1 ZINC000824722856 800287505 /nfs/dbraw/zinc/28/75/05/800287505.db2.gz TZHXZNHBLKQNJU-UHFFFAOYSA-N 0 0 348.410 2.024 50 30 EEEARN CCCN(CCC)c1nc(/C(N)=N\O)nc(N(CCC)CCC)n1 ZINC000004693926 210249496 /nfs/dbraw/zinc/24/94/96/210249496.db2.gz NLLFQTUQSCTKOJ-UHFFFAOYSA-N 0 0 337.472 2.219 50 30 EEEARN Cc1ccc(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1 ZINC000002840326 209925039 /nfs/dbraw/zinc/92/50/39/209925039.db2.gz ZNJYKWXQBAFTQM-UHFFFAOYSA-N 0 0 331.349 2.220 50 30 aggregator EEEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc3nccnc3c2)cc1 ZINC000002408531 209848829 /nfs/dbraw/zinc/84/88/29/209848829.db2.gz WWCLUYJYYQVKKL-YBFXNURJSA-N 0 0 326.381 2.251 50 30 EEEARN C=CCN(Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@@H](C)O ZINC000036208071 213077172 /nfs/dbraw/zinc/07/71/72/213077172.db2.gz QICUQWAEQZEUHI-NWDGAFQWSA-N 0 0 347.484 2.478 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC(C)(C)C)o2)o1 ZINC000071283964 215752783 /nfs/dbraw/zinc/75/27/83/215752783.db2.gz LQHOZOBWEGFUOI-UHFFFAOYSA-N 0 0 338.389 2.267 50 30 EEEARN N#Cc1cccc([C@H]2c3[nH]cnc3CCN2Cc2cccnc2N)c1 ZINC000072422280 216211543 /nfs/dbraw/zinc/21/15/43/216211543.db2.gz XXBQHDCMSQPUAD-SFHVURJKSA-N 0 0 330.395 2.406 50 30 EEEARN CN(C)C(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000022514474 212303895 /nfs/dbraw/zinc/30/38/95/212303895.db2.gz JCGCTAVSXJIQQL-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN Cc1cccnc1CN1CCN(Cc2ccc(C#CCO)s2)CC1 ZINC000216213087 241174979 /nfs/dbraw/zinc/17/49/79/241174979.db2.gz OLQNNVMUQMFTEO-UHFFFAOYSA-N 0 0 341.480 2.113 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020458928 212133017 /nfs/dbraw/zinc/13/30/17/212133017.db2.gz PIYJFVCWKRLZMC-UHFFFAOYSA-N 0 0 341.436 2.065 50 30 EEEARN Cc1csc(=O)n1CCC(=O)OCCOc1ccc(C#N)cc1 ZINC000017153650 211956943 /nfs/dbraw/zinc/95/69/43/211956943.db2.gz MJPIDDFBJFFOEY-UHFFFAOYSA-N 0 0 332.381 2.102 50 30 EEEARN CN(CCCc1[nH]nc(N)c1C#N)c1ccc([N+](=O)[O-])cc1Cl ZINC000015113663 211803924 /nfs/dbraw/zinc/80/39/24/211803924.db2.gz LMDJGUKMRCJCDS-UHFFFAOYSA-N 0 0 334.767 2.494 50 30 EEEARN N#Cc1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1Cl ZINC000012526993 211399125 /nfs/dbraw/zinc/39/91/25/211399125.db2.gz MSGIBONGWLXNGA-UHFFFAOYSA-N 0 0 328.759 2.361 50 30 EEEARN C=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)s1 ZINC000012438298 211381822 /nfs/dbraw/zinc/38/18/22/211381822.db2.gz QNUBREWRAXVRMK-BENRWUELSA-N 0 0 336.847 2.208 50 30 EEEARN C=CCn1c(CNC(=O)c2cccc(OC)c2OC)nnc1SC ZINC000012204898 211321097 /nfs/dbraw/zinc/32/10/97/211321097.db2.gz YUMOBPMPLPDBAM-UHFFFAOYSA-N 0 0 348.428 2.133 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000004867335 210306425 /nfs/dbraw/zinc/30/64/25/210306425.db2.gz HNXQTDATLNZKCP-UHFFFAOYSA-N 0 0 346.408 2.412 50 30 EEEARN CC(C)(C)NC(=O)CNC(=O)c1cccc(-c2cccnc2C#N)c1 ZINC000299789418 258095454 /nfs/dbraw/zinc/09/54/54/258095454.db2.gz ZXAQYBKUJQWWEK-UHFFFAOYSA-N 0 0 336.395 2.265 50 30 EEEARN N=C(NOC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 ZINC000008878278 258053863 /nfs/dbraw/zinc/05/38/63/258053863.db2.gz LBQAFOIGUNONBX-ZDUSSCGKSA-N 0 0 343.408 2.216 50 30 EEEARN O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000334158652 280384215 /nfs/dbraw/zinc/38/42/15/280384215.db2.gz ZKIMDSJVNKXMKF-NXEZZACHSA-P 0 0 338.261 2.411 50 30 EEEARN Cc1ccc2nc3c(cc(C#N)c(=O)n3Cc3ccccc3)c(=O)n2c1 ZINC000006809471 281163350 /nfs/dbraw/zinc/16/33/50/281163350.db2.gz PHLGFRFWYZCQCR-UHFFFAOYSA-N 0 0 342.358 2.238 50 30 EEEARN COc1nccc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1C#N ZINC000077487377 295460438 /nfs/dbraw/zinc/46/04/38/295460438.db2.gz RDVLRRBIFMSQAN-LJQANCHMSA-N 0 0 340.427 2.333 50 30 EEEARN N#CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 ZINC000001424659 462581253 /nfs/dbraw/zinc/58/12/53/462581253.db2.gz OPPGPVOGOLBNRR-UHFFFAOYSA-N 0 0 345.405 2.456 50 30 EEEARN Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000001399250 462581642 /nfs/dbraw/zinc/58/16/42/462581642.db2.gz TWZLAZDMSDVYLJ-HNNXBMFYSA-N 0 0 331.393 2.080 50 30 EEEARN CCN1C(=O)/C(=C/c2ccc(Cl)nc2)S/C1=N\n1cnnc1 ZINC000005598031 462664348 /nfs/dbraw/zinc/66/43/48/462664348.db2.gz ZQXUZSJKVIQLMP-FWSJCCAESA-N 0 0 334.792 2.082 50 30 EEEARN CS(=O)(=O)Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 ZINC000005621923 462664847 /nfs/dbraw/zinc/66/48/47/462664847.db2.gz TVOGGHOOHMIZMP-UHFFFAOYSA-N 0 0 329.377 2.460 50 30 EEEARN CN(CCCNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007059294 462720130 /nfs/dbraw/zinc/72/01/30/462720130.db2.gz HOVNZWNEYWAFFU-UHFFFAOYSA-N 0 0 329.425 2.363 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(O)c1 ZINC000008743093 462794443 /nfs/dbraw/zinc/79/44/43/462794443.db2.gz BTVHMVLPZJNJGR-OAHLLOKOSA-N 0 0 343.335 2.210 50 30 biogenic EEEARN C=CCNC(=O)CSc1nnnn1-c1ccccc1C(F)(F)F ZINC000010382214 462818301 /nfs/dbraw/zinc/81/83/01/462818301.db2.gz STFIWIQDJPMUHQ-UHFFFAOYSA-N 0 0 343.334 2.075 50 30 EEEARN N#Cc1ccccc1NC(=O)CCn1nnc(-c2cccc(F)c2)n1 ZINC000012918839 462876059 /nfs/dbraw/zinc/87/60/59/462876059.db2.gz POWXSWBLJJIFGG-UHFFFAOYSA-N 0 0 336.330 2.380 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC1CCC(O)CC1 ZINC000013000665 462880900 /nfs/dbraw/zinc/88/09/00/462880900.db2.gz CXFMDRTYTPNEDH-WXRRBKDZSA-N 0 0 340.383 2.125 50 30 EEEARN COc1ccc(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000013007014 462882674 /nfs/dbraw/zinc/88/26/74/462882674.db2.gz KIWJTYPXHQBPEE-UHFFFAOYSA-N 0 0 349.390 2.165 50 30 EEEARN C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCCC(C)(C)[C@H]1C=O)COC3=O ZINC000014448958 462927565 /nfs/dbraw/zinc/92/75/65/462927565.db2.gz KIJKAQHLSSAHOL-HZWIUQJVSA-N 0 0 346.423 2.067 50 30 biogenic,in-vitro EEEARN O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000015777245 462961762 /nfs/dbraw/zinc/96/17/62/462961762.db2.gz CCUWHLGKFFJENY-ISLYRVAYSA-N 0 0 330.409 2.154 50 30 EEEARN COc1ccc(CN2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 ZINC000024054886 463076458 /nfs/dbraw/zinc/07/64/58/463076458.db2.gz RBBNNJUADGAFIJ-UHFFFAOYSA-N 0 0 337.427 2.296 50 30 EEEARN C=CCN1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)C[C@H]1C(=O)NCC ZINC000096148835 463186533 /nfs/dbraw/zinc/18/65/33/463186533.db2.gz CZRVEQMQSJXSLM-HOCLYGCPSA-N 0 0 347.459 2.206 50 30 EEEARN C[C@@H](CC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCCC1 ZINC000104012301 463406969 /nfs/dbraw/zinc/40/69/69/463406969.db2.gz CFVLLDQZBVBBSK-FKEVTRRJSA-N 0 0 333.432 2.236 50 30 EEEARN C=CCN1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2 ZINC000057531442 463498727 /nfs/dbraw/zinc/49/87/27/463498727.db2.gz OFHPCLQDWOUHGB-CYBMUJFWSA-N 0 0 337.301 2.342 50 30 EEEARN C=C(C)COc1ccc(C(=O)N(C)Cc2nc(CCOC)no2)cc1 ZINC000055255207 518612591 /nfs/dbraw/zinc/61/25/91/518612591.db2.gz LCEJUQXPRWASFK-UHFFFAOYSA-N 0 0 345.399 2.486 50 30 EEEARN C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1 ZINC000004816335 519227384 /nfs/dbraw/zinc/22/73/84/519227384.db2.gz VTVLZSDUUBBENI-UHFFFAOYSA-N 0 0 348.413 2.306 50 30 EEEARN C=CCn1cc(CN2CCNC(=O)[C@@H]2c2cccc(F)c2)c(C)n1 ZINC000055386033 519281051 /nfs/dbraw/zinc/28/10/51/519281051.db2.gz JOYBTGQTFUBTRG-KRWDZBQOSA-N 0 0 328.391 2.190 50 30 EEEARN CN(C)c1ccc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000004507196 522155682 /nfs/dbraw/zinc/15/56/82/522155682.db2.gz SBYSOBLGZYOHQM-UHFFFAOYSA-N 0 0 329.400 2.252 50 30 EEEARN Cc1cc(N2CCN(C[C@H](C#N)CCC#N)CC2)nc(C(C)C)n1 ZINC000025694290 525081580 /nfs/dbraw/zinc/08/15/80/525081580.db2.gz MHDHHRAOHXAYJS-INIZCTEOSA-N 0 0 326.448 2.474 50 30 EEEARN N#CC1(NC(=O)CSc2nnnn2-c2ccccc2)CCCCC1 ZINC000003340633 526439494 /nfs/dbraw/zinc/43/94/94/526439494.db2.gz GFADKTKSCHTBGH-UHFFFAOYSA-N 0 0 342.428 2.097 50 30 EEEARN N#Cc1ccc(N2CCC[C@@H](CNC(=O)c3cncc(F)c3)C2)nc1 ZINC000826785237 800418385 /nfs/dbraw/zinc/41/83/85/800418385.db2.gz MUEOEJGFBOIKCZ-AWEZNQCLSA-N 0 0 339.374 2.134 50 30 EEEARN NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccccc1F ZINC000049546316 214016755 /nfs/dbraw/zinc/01/67/55/214016755.db2.gz FTTCASQXWFENDP-HNNXBMFYSA-N 0 0 326.331 2.143 50 30 EEEARN Cc1cc(C)n2ncc(C(=N)NOC(=O)c3ccccc3Cl)c2n1 ZINC000004344666 210176219 /nfs/dbraw/zinc/17/62/19/210176219.db2.gz PHMCRNJUXVLLHB-UHFFFAOYSA-N 0 0 343.774 2.477 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000004017134 210099692 /nfs/dbraw/zinc/09/96/92/210099692.db2.gz JEQRRKBRAOJAEK-OAHLLOKOSA-N 0 0 332.356 2.061 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCc2[nH]nc3c2CCCCC3)o1 ZINC000067654521 215175355 /nfs/dbraw/zinc/17/53/55/215175355.db2.gz PQEYYQDBPXVDSK-UHFFFAOYSA-N 0 0 341.411 2.324 50 30 EEEARN N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccccc2F)c1=O ZINC000006809475 283114846 /nfs/dbraw/zinc/11/48/46/283114846.db2.gz PZLJHHIHHYKSNO-UHFFFAOYSA-N 0 0 332.294 2.009 50 30 EEEARN N#Cc1cc2c(N)c(C(=O)Nc3ccccc3C#N)sc2nc1N ZINC000018240943 283115104 /nfs/dbraw/zinc/11/51/04/283115104.db2.gz ILURXDSFKLRSOU-UHFFFAOYSA-N 0 0 334.364 2.456 50 30 EEEARN CSc1nc(NN)cc([C@H](C#N)c2nc3ccccc3n2C)n1 ZINC000000534357 209653031 /nfs/dbraw/zinc/65/30/31/209653031.db2.gz NZQVLIBKPUQNPA-VIFPVBQESA-N 0 0 325.401 2.026 50 30 EEEARN COCCCN1C[C@@]2(CCCN(c3ncccc3C#N)C2)CCC1=O ZINC000072479014 216258775 /nfs/dbraw/zinc/25/87/75/216258775.db2.gz KLEFFSGONLXOPX-LJQANCHMSA-N 0 0 342.443 2.199 50 30 EEEARN CC(=O)/N=C1\NC(=O)/C(=C\c2cc(Cl)ccc2OC(C)=O)S1 ZINC000023410842 212375818 /nfs/dbraw/zinc/37/58/18/212375818.db2.gz WINFJOJZXQRLOX-WUXMJOGZSA-N 0 0 338.772 2.372 50 30 EEEARN C=CCNC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000022689210 212317586 /nfs/dbraw/zinc/31/75/86/212317586.db2.gz UANCPUNURNCSNY-QGZVFWFLSA-N 0 0 346.452 2.445 50 30 EEEARN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(C#N)c1 ZINC000022279130 212287710 /nfs/dbraw/zinc/28/77/10/212287710.db2.gz JREJZJIHNCFUHH-UHFFFAOYSA-N 0 0 330.365 2.108 50 30 EEEARN Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3ccn(CCO)n3)C2)n1 ZINC000426739012 241332756 /nfs/dbraw/zinc/33/27/56/241332756.db2.gz HAAOPYHPHUVIBM-OAHLLOKOSA-N 0 0 325.416 2.143 50 30 EEEARN N#Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cn1 ZINC000244723721 243070124 /nfs/dbraw/zinc/07/01/24/243070124.db2.gz MFZTUKQIHBHGRI-UHFFFAOYSA-N 0 0 334.379 2.119 50 30 EEEARN O[C@](C#CCN1CCOCC1)(c1ccccc1)c1cccc(F)c1 ZINC000019929012 212085647 /nfs/dbraw/zinc/08/56/47/212085647.db2.gz LAMXGZLYTSWZRB-HXUWFJFHSA-N 0 0 325.383 2.397 50 30 EEEARN Cc1cccc2c(C)nc(NC3=NCN(Cc4ccccn4)CN3)nc12 ZINC000019330392 212017134 /nfs/dbraw/zinc/01/71/34/212017134.db2.gz AODZGMAIDXMBJT-UHFFFAOYSA-N 0 0 347.426 2.239 50 30 EEEARN CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C#N)ccc21 ZINC000015324906 211815751 /nfs/dbraw/zinc/81/57/51/211815751.db2.gz MQNFDHNEYKTRNX-UHFFFAOYSA-N 0 0 342.376 2.235 50 30 EEEARN C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 ZINC000012525329 211399424 /nfs/dbraw/zinc/39/94/24/211399424.db2.gz OPFYWJKUFAIKQQ-ZDUSSCGKSA-N 0 0 349.394 2.339 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)c2cc3c(n(C)c2=O)CCCC3)C1 ZINC000091986718 218099545 /nfs/dbraw/zinc/09/95/45/218099545.db2.gz MBQANZVLMGSADB-HXUWFJFHSA-N 0 0 344.455 2.055 50 30 EEEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nccs2)CC1 ZINC000010269777 211159077 /nfs/dbraw/zinc/15/90/77/211159077.db2.gz PIBLEBBGLRYHGS-ZDUSSCGKSA-N 0 0 342.424 2.131 50 30 EEEARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC#N)OC(C)(C)CC3 ZINC000009304860 211064010 /nfs/dbraw/zinc/06/40/10/211064010.db2.gz IPMWOBSGGSRMPQ-UHFFFAOYSA-N 0 0 340.379 2.387 50 30 EEEARN C=CCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O ZINC000009096441 211040187 /nfs/dbraw/zinc/04/01/87/211040187.db2.gz BYIXFABBIRMBAF-UHFFFAOYSA-N 0 0 340.427 2.142 50 30 EEEARN C[C@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O ZINC000008940354 211021339 /nfs/dbraw/zinc/02/13/39/211021339.db2.gz ZYSHWUIFQWQGSC-UGSOOPFHSA-N 0 0 327.384 2.438 50 30 EEEARN CC1(C)C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1 ZINC000097360155 219014495 /nfs/dbraw/zinc/01/44/95/219014495.db2.gz SXVWTJUXDLPZGZ-INIZCTEOSA-N 0 0 327.428 2.412 50 30 EEEARN CC(C)c1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)[nH]1 ZINC000097531367 219033680 /nfs/dbraw/zinc/03/36/80/219033680.db2.gz OYDMZZQWEKKVGD-NSHDSACASA-N 0 0 342.359 2.306 50 30 EEEARN C=CCNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 ZINC000012917961 258017591 /nfs/dbraw/zinc/01/75/91/258017591.db2.gz XGSKBTSXXYREOO-LBPRGKRZSA-N 0 0 335.477 2.386 50 30 EEEARN N#C[C@]12C(=O)N[C@@]3(CCCC[C@H]31)O[C@H](c1ccccc1)C2(C#N)C#N ZINC000004784753 303173676 /nfs/dbraw/zinc/17/36/76/303173676.db2.gz QFRCSMYVSDZNDF-SFUIVIKGSA-N 0 0 332.363 2.318 50 30 EEEARN COc1cc(C(=O)O/N=C2\C=CC(=O)C(C)=C2)cc(OC)c1OC ZINC000000101931 462541725 /nfs/dbraw/zinc/54/17/25/462541725.db2.gz ZXKWLZOEJKQYPH-LDADJPATSA-N 0 0 331.324 2.310 50 30 EEEARN C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000001236220 462578117 /nfs/dbraw/zinc/57/81/17/462578117.db2.gz ACICRKOLNTYEII-CABCVRRESA-N 0 0 336.482 2.062 50 30 EEEARN N#Cc1ccsc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 ZINC000003509825 462622223 /nfs/dbraw/zinc/62/22/23/462622223.db2.gz QVJYVVBIMAGEFK-UHFFFAOYSA-N 0 0 330.321 2.144 50 30 EEEARN CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C ZINC000005377229 462657055 /nfs/dbraw/zinc/65/70/55/462657055.db2.gz UMTFUYSOVJKKDE-CRQJOFGKSA-N 0 0 338.454 2.006 50 30 EEEARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 ZINC000006743675 462701666 /nfs/dbraw/zinc/70/16/66/462701666.db2.gz RYOHNWYHVZYKQN-OAHLLOKOSA-N 0 0 349.456 2.339 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c([nH][nH]c2=O)C[C@]1(C)O ZINC000006752708 462703010 /nfs/dbraw/zinc/70/30/10/462703010.db2.gz GKZRDJYXWGJUDF-QOKNQOGYSA-N 0 0 342.395 2.208 50 30 EEEARN C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N(C)Cc1ccccc1 ZINC000007046162 462718936 /nfs/dbraw/zinc/71/89/36/462718936.db2.gz FOEMMKQCOZYRGM-NSHDSACASA-N 0 0 327.413 2.070 50 30 EEEARN Cc1nn(CC(=O)c2ccc(Br)cc2)c(=O)c(C#N)c1C ZINC000007441809 462735977 /nfs/dbraw/zinc/73/59/77/462735977.db2.gz WVVKFDAXMBMQEI-UHFFFAOYSA-N 0 0 346.184 2.377 50 30 EEEARN N#Cc1cc(Br)ccc1N1CC[C@H](N2CCOCC2)C1 ZINC000130456200 462757155 /nfs/dbraw/zinc/75/71/55/462757155.db2.gz YZRDDZJOBIXLSE-AWEZNQCLSA-N 0 0 336.233 2.232 50 30 EEEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)[C@@H]1CC=CCC1 ZINC000012975062 462877934 /nfs/dbraw/zinc/87/79/34/462877934.db2.gz VBDYIMGFFGOECC-CYBMUJFWSA-N 0 0 347.440 2.452 50 30 EEEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC1CCC(O)CC1 ZINC000013000663 462880773 /nfs/dbraw/zinc/88/07/73/462880773.db2.gz CXFMDRTYTPNEDH-BPCQOVAHSA-N 0 0 340.383 2.125 50 30 EEEARN N#Cc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(F)c1 ZINC000014153265 462914414 /nfs/dbraw/zinc/91/44/14/462914414.db2.gz WGLOKPORXMDSCC-UHFFFAOYSA-N 0 0 339.248 2.025 50 30 EEEARN N#Cc1ccc(F)c(COC(=O)c2ccc(N3CCOCC3)nc2)c1 ZINC000021592311 463038024 /nfs/dbraw/zinc/03/80/24/463038024.db2.gz RESCEBRJHSSQEO-UHFFFAOYSA-N 0 0 341.342 2.286 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1 ZINC000070636808 463377628 /nfs/dbraw/zinc/37/76/28/463377628.db2.gz HMLOQLVHRWHRNO-HNNXBMFYSA-N 0 0 349.818 2.208 50 30 EEEARN N#Cc1cccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)c1 ZINC000032795767 463395757 /nfs/dbraw/zinc/39/57/57/463395757.db2.gz SEGFGURCUKAMCZ-HNNXBMFYSA-N 0 0 326.331 2.436 50 30 EEEARN Cc1nn(C)c(C)c1C=CC(O)=C(C#N)C(=O)NC1CCCCC1 ZINC000104047678 463407660 /nfs/dbraw/zinc/40/76/60/463407660.db2.gz CPXHNUFTXGGABH-ZBTGYSDGSA-N 0 0 328.416 2.208 50 30 EEEARN C=CCN(Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)C[C@H](C)O ZINC000104990781 463432464 /nfs/dbraw/zinc/43/24/64/463432464.db2.gz QICUQWAEQZEUHI-NEPJUHHUSA-N 0 0 347.484 2.478 50 30 EEEARN N#Cc1cnc(NC2CCN(C(=O)c3ccccc3F)CC2)cn1 ZINC000106464692 463517731 /nfs/dbraw/zinc/51/77/31/463517731.db2.gz SAQVPGZIFFPERZ-UHFFFAOYSA-N 0 0 325.347 2.204 50 30 EEEARN C#CCOCC1CCN(C(=O)NCCc2ccc(OC)cc2)CC1 ZINC000049028911 518296589 /nfs/dbraw/zinc/29/65/89/518296589.db2.gz GATAWHZJVPUIPV-UHFFFAOYSA-N 0 0 330.428 2.309 50 30 EEEARN C=CCNc1nc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cs1 ZINC000005040292 518962635 /nfs/dbraw/zinc/96/26/35/518962635.db2.gz KBRCSWYCSZXFJJ-UHFFFAOYSA-N 0 0 348.428 2.240 50 30 EEEARN C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1C ZINC000008132854 519168973 /nfs/dbraw/zinc/16/89/73/519168973.db2.gz OGKGCWHSXNXVNE-GOSISDBHSA-N 0 0 329.400 2.194 50 30 EEEARN Cc1ccccc1OCC(=O)ONNC(=S)Nc1ccccc1 ZINC000003122014 525280721 /nfs/dbraw/zinc/28/07/21/525280721.db2.gz PFSDYUWTNCNDEY-UHFFFAOYSA-N 0 0 331.397 2.323 50 30 EEEARN COc1ccccc1-n1cc(CNC(=O)N2CCC[C@@H](C#N)C2)cn1 ZINC000426661396 536977577 /nfs/dbraw/zinc/97/75/77/536977577.db2.gz WFKYKOGMWZJPMI-AWEZNQCLSA-N 0 0 339.399 2.326 50 30 EEEARN Cn1ccc(NC(=O)[C@H](C#N)C(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000102297815 1199007890 /nfs/dbraw/zinc/00/78/90/1199007890.db2.gz MLUDGJVEOHRYIX-LLPBQKLSSA-N 0 0 328.759 2.434 50 30 EEEARN C#CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OCC ZINC000004363960 210180325 /nfs/dbraw/zinc/18/03/25/210180325.db2.gz XCQQQQPZSSTFLL-RAXLEYEMSA-N 0 0 330.409 2.127 50 30 EEEARN COc1cccc(C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)c1 ZINC000004306547 210166770 /nfs/dbraw/zinc/16/67/70/210166770.db2.gz YWUOTTFOILBMLW-FBJMNJBLSA-N 0 0 329.381 2.452 50 30 EEEARN C=COC(=O)CSc1snc(SCC(=O)OC)c1C#N ZINC000003663031 210072064 /nfs/dbraw/zinc/07/20/64/210072064.db2.gz LPYPBNDLZWQTLT-UHFFFAOYSA-N 0 0 330.412 2.059 50 30 EEEARN COc1ncc(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)cn1 ZINC000071762713 215817389 /nfs/dbraw/zinc/81/73/89/215817389.db2.gz VSBLSBMIBLNCPV-UHFFFAOYSA-N 0 0 335.371 2.018 50 30 EEEARN CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc1C ZINC000032672376 212825770 /nfs/dbraw/zinc/82/57/70/212825770.db2.gz WXSBRYFKKCFKOD-TZMCWYRMSA-N 0 0 347.440 2.240 50 30 EEEARN O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1nncs1 ZINC000022923252 212334015 /nfs/dbraw/zinc/33/40/15/212334015.db2.gz TVRVNKPUYFSUFW-UHFFFAOYSA-N 0 0 335.408 2.083 50 30 EEEARN CC(=O)N[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000022476610 212300341 /nfs/dbraw/zinc/30/03/41/212300341.db2.gz XQYKZGXSAFDQQG-OAHLLOKOSA-N 0 0 340.345 2.334 50 30 EEEARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CCC#N)CC3)c2c1 ZINC000020728368 212164741 /nfs/dbraw/zinc/16/47/41/212164741.db2.gz OPOQIDAITHQMRU-QGZVFWFLSA-N 0 0 326.400 2.133 50 30 EEEARN CCOc1ccc(-c2nc(C#N)c(NCCN3CCOCC3)o2)cc1 ZINC000020149954 212106639 /nfs/dbraw/zinc/10/66/39/212106639.db2.gz AFXNQOWUUVZFSY-UHFFFAOYSA-N 0 0 342.399 2.356 50 30 EEEARN COc1nccc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1C#N ZINC000077487375 216917427 /nfs/dbraw/zinc/91/74/27/216917427.db2.gz RDVLRRBIFMSQAN-IBGZPJMESA-N 0 0 340.427 2.333 50 30 EEEARN C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091985903 218097698 /nfs/dbraw/zinc/09/76/98/218097698.db2.gz AEOPFYDZRWYWCS-KUHUBIRLSA-N 0 0 328.412 2.198 50 30 EEEARN CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000092046914 218110809 /nfs/dbraw/zinc/11/08/09/218110809.db2.gz BELUEIPKPDMEDZ-UHFFFAOYSA-N 0 0 325.412 2.423 50 30 EEEARN CC(C)[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCc1ccccc1 ZINC000009221202 211055065 /nfs/dbraw/zinc/05/50/65/211055065.db2.gz VUGSRQQSPQERLU-CQSZACIVSA-N 0 0 341.440 2.364 50 30 EEEARN COCCNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000009157498 211046959 /nfs/dbraw/zinc/04/69/59/211046959.db2.gz ZGORBAXDDXCCNU-UHFFFAOYSA-N 0 0 333.335 2.135 50 30 EEEARN CCOC(=O)c1c(C)oc2ncn(Cc3ccccc3C#N)c(=O)c21 ZINC000007554170 210814211 /nfs/dbraw/zinc/81/42/11/210814211.db2.gz UCUAKHSJODPFBX-UHFFFAOYSA-N 0 0 337.335 2.395 50 30 EEEARN CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1C#N ZINC000007248197 210774804 /nfs/dbraw/zinc/77/48/04/210774804.db2.gz DMPGEVRWMDVGGG-CQSZACIVSA-N 0 0 344.392 2.019 50 30 EEEARN C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000006767623 210706747 /nfs/dbraw/zinc/70/67/47/210706747.db2.gz DKNYILQOYCRHTJ-GFCCVEGCSA-N 0 0 343.408 2.238 50 30 EEEARN C=CCSc1ccccc1NC(=O)CSc1nc(N)nc(N)n1 ZINC000013150508 258017453 /nfs/dbraw/zinc/01/74/53/258017453.db2.gz NZAQGTFCTFGZKJ-UHFFFAOYSA-N 0 0 348.457 2.045 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000034872283 132388894 /nfs/dbraw/zinc/38/88/94/132388894.db2.gz QVPBVMNNKHOWNW-UHFFFAOYSA-N 0 0 342.424 2.086 50 30 EEEARN C=C(C)Cn1c(SCCC(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000000380567 462558224 /nfs/dbraw/zinc/55/82/24/462558224.db2.gz QONNSARBPVWWTR-UHFFFAOYSA-N 0 0 336.461 2.148 50 30 EEEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cnn(C)c1C ZINC000002759360 462601017 /nfs/dbraw/zinc/60/10/17/462601017.db2.gz ADZDUNRLNGCZIL-INIZCTEOSA-N 0 0 329.400 2.260 50 30 EEEARN C#CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 ZINC000002899578 462607035 /nfs/dbraw/zinc/60/70/35/462607035.db2.gz IRRIZPBLVIKSBT-QGOAFFKASA-N 0 0 328.393 2.319 50 30 EEEARN Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C#N)cc1[N+](=O)[O-] ZINC000128749306 462667671 /nfs/dbraw/zinc/66/76/71/462667671.db2.gz TWYUXIWEZVGJLD-UHFFFAOYSA-N 0 0 346.730 2.229 50 30 EEEARN N#CCn1c(COC(=O)c2cccs2)nc2ccccc2c1=O ZINC000005937287 462672327 /nfs/dbraw/zinc/67/23/27/462672327.db2.gz CPPUVJCUMRHRID-UHFFFAOYSA-N 0 0 325.349 2.339 50 30 EEEARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000008126710 462768343 /nfs/dbraw/zinc/76/83/43/462768343.db2.gz LKPGIOFZFPBDSJ-UHFFFAOYSA-N 0 0 334.383 2.379 50 30 EEEARN CCOc1nnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)s1 ZINC000065517672 462787203 /nfs/dbraw/zinc/78/72/03/462787203.db2.gz WNKFVIFRSUSQFW-LBPRGKRZSA-N 0 0 344.444 2.137 50 30 EEEARN N#Cc1ccc(OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000012817184 462870800 /nfs/dbraw/zinc/87/08/00/462870800.db2.gz UQFJLNFMFIIDBF-UHFFFAOYSA-N 0 0 332.363 2.439 50 30 EEEARN Cc1nn(CC(=O)N[C@H](c2cccs2)C(C)C)c(=O)c(C#N)c1C ZINC000012887850 462872703 /nfs/dbraw/zinc/87/27/03/462872703.db2.gz JOJMUWBVHZLRGB-INIZCTEOSA-N 0 0 344.440 2.307 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000016606760 462983490 /nfs/dbraw/zinc/98/34/90/462983490.db2.gz LPGQXNYRZOXPBP-ZIAGYGMSSA-N 0 0 336.457 2.269 50 30 EEEARN Cc1ccc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)c(O)c1 ZINC000077457520 462988964 /nfs/dbraw/zinc/98/89/64/462988964.db2.gz QPOBKIHIIGPWAS-CQSZACIVSA-N 0 0 349.390 2.450 50 30 EEEARN C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2C[S@](C)=O)c1 ZINC000120547012 463011563 /nfs/dbraw/zinc/01/15/63/463011563.db2.gz RGMXQTWPCXFBCN-XMMPIXPASA-N 0 0 340.404 2.124 50 30 EEEARN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O ZINC000024092196 463078693 /nfs/dbraw/zinc/07/86/93/463078693.db2.gz OELYWZVAXZUVNA-LPHOPBHVSA-N 0 0 335.363 2.059 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C ZINC000100551703 463373928 /nfs/dbraw/zinc/37/39/28/463373928.db2.gz TWUFVOIVSIRBNQ-BRADTZPFSA-N 0 0 346.339 2.248 50 30 EEEARN N#CCN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000100839783 463375228 /nfs/dbraw/zinc/37/52/28/463375228.db2.gz VEFYHNSLDOQELL-MRXNPFEDSA-N 0 0 326.425 2.337 50 30 EEEARN C[C@@H](NC(=O)c1ccco1)C(=O)OCc1cn2ccccc2c1C#N ZINC000032682327 463387398 /nfs/dbraw/zinc/38/73/98/463387398.db2.gz FBGTYWYSZGUXKW-GFCCVEGCSA-N 0 0 337.335 2.266 50 30 EEEARN COC(=O)C(=O)C1=C(c2ccco2)NC(=S)N[C@@H]1c1cccs1 ZINC000102703149 463390196 /nfs/dbraw/zinc/39/01/96/463390196.db2.gz KVOFTZOIBJSBIL-GFCCVEGCSA-N 0 0 348.405 2.013 50 30 EEEARN C[C@@H]1CCC[C@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000103200707 463397148 /nfs/dbraw/zinc/39/71/48/463397148.db2.gz RLYPQFNJRZEZOM-KEYYUXOJSA-N 0 0 343.427 2.454 50 30 EEEARN C[C@@H](C1N=NC(=O)N1)n1ccnc1-c1ccc(C#CC(C)(C)O)s1 ZINC000071404089 463415267 /nfs/dbraw/zinc/41/52/67/463415267.db2.gz AUOYCUZOBQYMKO-JTQLQIEISA-N 0 0 343.412 2.167 50 30 EEEARN N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 ZINC000071750863 463421162 /nfs/dbraw/zinc/42/11/62/463421162.db2.gz DRAAXPABYUQLBF-HNNXBMFYSA-N 0 0 346.394 2.211 50 30 EEEARN C[C@@H](Cc1cnccc1NC(=O)OC(C)(C)C)OS(C)(=O)=O ZINC000034494679 463427216 /nfs/dbraw/zinc/42/72/16/463427216.db2.gz UCXDUHVRUDYMTP-JTQLQIEISA-N 0 0 330.406 2.336 50 30 EEEARN C=CCNC(=O)CCc1nc(-c2cc3cc(C)ccc3[nH]c2=O)no1 ZINC000035373512 463430561 /nfs/dbraw/zinc/43/05/61/463430561.db2.gz ALPNUNDUMOVRSA-UHFFFAOYSA-N 0 0 338.367 2.121 50 30 EEEARN CCN(CC(=O)NCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106632238 463528268 /nfs/dbraw/zinc/52/82/68/463528268.db2.gz BSYPXJFJGHGFSR-SJLPKXTDSA-N 0 0 328.460 2.174 50 30 EEEARN COCCOc1ccc(C(=O)/C=C/c2nccc(OC)n2)cc1OC ZINC000585136258 468987424 /nfs/dbraw/zinc/98/74/24/468987424.db2.gz YGTCMPYFLDLXFA-FNORWQNLSA-N 0 0 344.367 2.415 50 30 EEEARN COc1ccc(C(C)=NNc2nnc(SCC#N)[nH]2)cc1OC ZINC000020608317 523364244 /nfs/dbraw/zinc/36/42/44/523364244.db2.gz JLKGWSYLQNWGNW-RQZCQDPDSA-N 0 0 332.389 2.274 50 30 EEEARN C=CCN1C(=O)[C@H](C)S/C1=N\S(=O)(=O)c1ccc(F)cc1 ZINC000002637938 1202484214 /nfs/dbraw/zinc/48/42/14/1202484214.db2.gz RHZTVBRKKWEYHJ-BFBVWJMCSA-N 0 0 328.390 2.020 50 30 EEEARN Cn1cc(C#N)cc1-c1nc(C2CCOCC2)nn1[C@H]1CCOC1 ZINC001772818114 1410372693 /nfs/dbraw/zinc/37/26/93/1410372693.db2.gz MHWAEBAAWLFTDW-AWEZNQCLSA-N 0 0 327.388 2.011 50 30 EEEARN C=CCN(Cc1ccc(C)s1)S(=O)(=O)N1CCC[C@@H]1COC ZINC000952961091 796077304 /nfs/dbraw/zinc/07/73/04/796077304.db2.gz JJQZFKQXHZCVJC-CQSZACIVSA-N 0 0 344.502 2.400 50 30 EEEARN Cn1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000003433480 210037940 /nfs/dbraw/zinc/03/79/40/210037940.db2.gz SHUZCIRTIOMNDU-UHFFFAOYSA-N 0 0 348.457 2.143 50 30 EEEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 ZINC000003317826 210005664 /nfs/dbraw/zinc/00/56/64/210005664.db2.gz FUTQJHCYVLSNOH-UHFFFAOYSA-N 0 0 348.314 2.460 50 30 EEEARN C=CCn1ncc(CN2CCNC(=O)[C@@H]2c2cccc(F)c2)c1C ZINC000067513646 215156068 /nfs/dbraw/zinc/15/60/68/215156068.db2.gz USAFHHRBUKRIGS-KRWDZBQOSA-N 0 0 328.391 2.190 50 30 EEEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1 ZINC000028915544 212643823 /nfs/dbraw/zinc/64/38/23/212643823.db2.gz GPWMTRGOZGGNHC-SXGWCWSVSA-N 0 0 338.473 2.467 50 30 EEEARN COc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1C(=O)N(C)C ZINC000426571504 241310580 /nfs/dbraw/zinc/31/05/80/241310580.db2.gz MZGASCDUQWWPEJ-LBPRGKRZSA-N 0 0 330.388 2.164 50 30 EEEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccccc2)C1=O ZINC000020820028 212173635 /nfs/dbraw/zinc/17/36/35/212173635.db2.gz CVSPIINGVBSDOA-LJQANCHMSA-N 0 0 335.363 2.404 50 30 EEEARN COc1ccccc1-c1nc(C#N)c(NCCCN2CCOCC2)o1 ZINC000020461177 212133526 /nfs/dbraw/zinc/13/35/26/212133526.db2.gz HRMCBISJBFNFHJ-UHFFFAOYSA-N 0 0 342.399 2.356 50 30 EEEARN O=C1C(=NNc2ccccc2)c2ccccc2N1CN1CCOCC1 ZINC000012960179 211493033 /nfs/dbraw/zinc/49/30/33/211493033.db2.gz DEBHGCFLCCVNHZ-DYTRJAOYSA-N 0 0 336.395 2.139 50 30 EEEARN C=CCNC(=O)[C@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C ZINC000010726589 211187330 /nfs/dbraw/zinc/18/73/30/211187330.db2.gz ISFWVFBHQOQKDT-LBPRGKRZSA-N 0 0 328.368 2.399 50 30 EEEARN N#Cc1c2c(sc1NC(=O)C(=O)NCc1cccnc1)CCCC2 ZINC000004865706 210305637 /nfs/dbraw/zinc/30/56/37/210305637.db2.gz ZUOZXDUQQBIFOY-UHFFFAOYSA-N 0 0 340.408 2.148 50 30 EEEARN COc1cc(C(=O)ONC(=N)c2ccccc2)cc(OC)c1OC ZINC000004803100 210280646 /nfs/dbraw/zinc/28/06/46/210280646.db2.gz VYSBOSOANCWIGF-UHFFFAOYSA-N 0 0 330.340 2.190 50 30 EEEARN C=CCOc1cccc(NC(=O)N2CCC3(CNC(=O)O3)CC2)c1 ZINC000299798767 258006003 /nfs/dbraw/zinc/00/60/03/258006003.db2.gz RHWQIBGZHRHZHP-UHFFFAOYSA-N 0 0 331.372 2.358 50 30 EEEARN Cc1ccc([N+](=O)[O-])cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009267 281017268 /nfs/dbraw/zinc/01/72/68/281017268.db2.gz BIGZXDRVYFPTNQ-UHFFFAOYSA-N 0 0 349.350 2.496 50 30 EEEARN COc1cc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc(OC)c1OC ZINC000000070404 462540877 /nfs/dbraw/zinc/54/08/77/462540877.db2.gz HJHHFEUMAYTLCM-UHFFFAOYSA-N 0 0 342.380 2.389 50 30 EEEARN Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000001399254 462581369 /nfs/dbraw/zinc/58/13/69/462581369.db2.gz ZUYPBZSZGYKHOD-INIZCTEOSA-N 0 0 345.420 2.389 50 30 EEEARN Cc1nn(-c2ccncc2)n(/N=C/c2c(O)ccc3ccccc32)c1=O ZINC000005570456 462662843 /nfs/dbraw/zinc/66/28/43/462662843.db2.gz OCVDSJBKLQXKDF-CIAFOILYSA-N 0 0 345.362 2.478 50 30 EEEARN CCOC(=O)C(C#N)=NNc1ccccc1I ZINC000005592067 462663978 /nfs/dbraw/zinc/66/39/78/462663978.db2.gz YTAXXXGGRISGEV-XNTDXEJSSA-N 0 0 343.124 2.146 50 30 EEEARN COc1ccccc1C=NN1C(=S)NNC1=C1N=NC2=C1CCC2 ZINC000005625665 462665133 /nfs/dbraw/zinc/66/51/33/462665133.db2.gz MLIVJCSKXBWEPP-RQZCQDPDSA-N 0 0 340.412 2.336 50 30 EEEARN COC(=O)c1sc(NC(=O)COc2ccc(C#N)cc2)nc1C ZINC000007705932 462747209 /nfs/dbraw/zinc/74/72/09/462747209.db2.gz XXULKHDCQVCDOH-UHFFFAOYSA-N 0 0 331.353 2.127 50 30 EEEARN C=CCn1cc(CN2CCN(c3ncc(Cl)cn3)CC2)c(C)n1 ZINC000065385687 462760709 /nfs/dbraw/zinc/76/07/09/462760709.db2.gz NVYIINPENGYDAU-UHFFFAOYSA-N 0 0 332.839 2.143 50 30 EEEARN N#Cc1nccnc1N1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000065386781 462762273 /nfs/dbraw/zinc/76/22/73/462762273.db2.gz MQABEMXTCHHSET-UHFFFAOYSA-N 0 0 345.353 2.272 50 30 EEEARN COc1ccc(C(=O)Oc2cccc(/C=N/NC(N)=S)c2)cc1 ZINC000008684142 462790632 /nfs/dbraw/zinc/79/06/32/462790632.db2.gz LKSANSVOYIELCV-VCHYOVAHSA-N 0 0 329.381 2.082 50 30 EEEARN O=C(NCC#CCOc1ccc2c(c1)OCO2)c1cc(C2CC2)on1 ZINC000090730905 462807891 /nfs/dbraw/zinc/80/78/91/462807891.db2.gz GPUZXAMOOZGFDI-UHFFFAOYSA-N 0 0 340.335 2.093 50 30 EEEARN COc1ccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)cc1 ZINC000012636992 462860904 /nfs/dbraw/zinc/86/09/04/462860904.db2.gz OVAJNMDEFPYTIC-PXNMLYILSA-N 0 0 325.320 2.176 50 30 biogenic EEEARN Cc1nc2ccccc2c(=O)n1C[C@H](O)COc1ccc(C#N)cc1 ZINC000012943730 462877039 /nfs/dbraw/zinc/87/70/39/462877039.db2.gz LRMQZFZRQPOZBH-HNNXBMFYSA-N 0 0 335.363 2.017 50 30 EEEARN N#Cc1ncn(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)n1 ZINC000014143250 462913770 /nfs/dbraw/zinc/91/37/70/462913770.db2.gz UJRFGWKWKKNLRL-UHFFFAOYSA-N 0 0 344.224 2.235 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl ZINC000016043903 462969035 /nfs/dbraw/zinc/96/90/35/462969035.db2.gz WJAIALNSNAKJTF-STQMWFEESA-N 0 0 343.770 2.101 50 30 EEEARN C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000095912414 463109198 /nfs/dbraw/zinc/10/91/98/463109198.db2.gz QOAOBBJDPFYUKJ-RVMSTXCCSA-N 0 0 346.423 2.225 50 30 biogenic,in-vitro EEEARN Cc1nnc(NC[C@@H](c2ccccc2)N2CCOCC2)c(C#N)c1C ZINC000029526066 463260679 /nfs/dbraw/zinc/26/06/79/463260679.db2.gz QWTNGLAETXHGGP-SFHVURJKSA-N 0 0 337.427 2.451 50 30 EEEARN N#CC1(NC(=O)CNc2cc3c(cc2Cl)OCCO3)CCCC1 ZINC000029690873 463269284 /nfs/dbraw/zinc/26/92/84/463269284.db2.gz UNCQBSKGYZJMJR-UHFFFAOYSA-N 0 0 335.791 2.476 50 30 EEEARN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000097203663 463348511 /nfs/dbraw/zinc/34/85/11/463348511.db2.gz OLNJNJGDSIMNMI-KBPBESRZSA-N 0 0 348.472 2.248 50 30 EEEARN N#CC1(C(=O)N2CCN(CCOc3ccccc3)CC2)CCCC1 ZINC000032080831 463363272 /nfs/dbraw/zinc/36/32/72/463363272.db2.gz LNTQKYSBMRUOGJ-UHFFFAOYSA-N 0 0 327.428 2.294 50 30 EEEARN C#CCOc1ccc(/C=C2\C(=O)N(CC)C(=S)N2C)cc1OC ZINC000033673148 463423952 /nfs/dbraw/zinc/42/39/52/463423952.db2.gz WCIFNGLTXCEPLL-JLHYYAGUSA-N 0 0 330.409 2.127 50 30 EEEARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cnc(C#N)cn1 ZINC000125017276 463492188 /nfs/dbraw/zinc/49/21/88/463492188.db2.gz OBJCJAVYPRCEED-OAHLLOKOSA-N 0 0 337.383 2.273 50 30 EEEARN C=CCOc1ccccc1/C=C1\SC(N2CCN(C)CC2)=NC1=O ZINC000020440819 519065229 /nfs/dbraw/zinc/06/52/29/519065229.db2.gz SOLXUYNSAWGCLX-SSZFMOIBSA-N 0 0 343.452 2.469 50 30 EEEARN CCNc1nc(N=NCc2ccc(OC)c(OC)c2)nc(NCC)n1 ZINC000005716245 520357544 /nfs/dbraw/zinc/35/75/44/520357544.db2.gz XWFJXNWULLFDOG-VXLYETTFSA-N 0 0 345.407 2.198 50 30 EEEARN COc1cc(CN=NC(N)=S)ccc1OC(=O)c1ccccc1 ZINC000004482930 522005909 /nfs/dbraw/zinc/00/59/09/522005909.db2.gz MMHXUOAOLIOFFQ-ZDLGFXPLSA-N 0 0 329.381 2.493 50 30 EEEARN COC(=O)c1cccc(OC[C@H](O)CN(CCC#N)CC(C)C)c1 ZINC000006552526 522246185 /nfs/dbraw/zinc/24/61/85/522246185.db2.gz ULGWJAFIIXZFNX-MRXNPFEDSA-N 0 0 334.416 2.085 50 30 EEEARN Cc1ccc(-c2csc(C3=C(N)N(CCCO)CC3=O)n2)cc1 ZINC000006939856 525779955 /nfs/dbraw/zinc/77/99/55/525779955.db2.gz WYPXRHWKAGTRJT-UHFFFAOYSA-N 0 0 329.425 2.013 50 30 EEEARN O=C(c1cccs1)N1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000828644605 800791544 /nfs/dbraw/zinc/79/15/44/800791544.db2.gz KXCVPINTCXUFSD-UHFFFAOYSA-N 0 0 346.477 2.111 50 30 EEEARN CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n1 ZINC001506421490 1114601699 /nfs/dbraw/zinc/60/16/99/1114601699.db2.gz QJUYCDNTAOCIMV-CQSZACIVSA-N 0 0 341.415 2.498 50 30 EEEARN Cc1ccc(CN2CCN(C(=O)c3ccc(C#N)nc3)[C@H](C)C2=O)cc1 ZINC000055341436 214309284 /nfs/dbraw/zinc/30/92/84/214309284.db2.gz UQLPLLMSQCKRFQ-OAHLLOKOSA-N 0 0 348.406 2.135 50 30 EEEARN C=CCN1CCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC1 ZINC000055562761 214330183 /nfs/dbraw/zinc/33/01/83/214330183.db2.gz MULPMJMQHLEGRY-UHFFFAOYSA-N 0 0 332.787 2.390 50 30 EEEARN C#CCOC[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000049031853 213979608 /nfs/dbraw/zinc/97/96/08/213979608.db2.gz DEKDNSSFNBNJLB-GFCCVEGCSA-N 0 0 329.368 2.015 50 30 EEEARN CNC(=S)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003330100 210009069 /nfs/dbraw/zinc/00/90/69/210009069.db2.gz ZFEUUJJLPYBRMZ-UHFFFAOYSA-N 0 0 349.481 2.062 50 30 EEEARN COC(=O)c1n[nH]cc1-c1cc(-c2cccc(O)c2)nc(N)c1C#N ZINC000067920661 215249666 /nfs/dbraw/zinc/24/96/66/215249666.db2.gz GIGGQIFNZNTXOU-UHFFFAOYSA-N 0 0 335.323 2.085 50 30 EEEARN C[C@H]1Cc2cc(Cn3ccc4nc(O)c(C#N)cc4c3=O)ccc2O1 ZINC000067907908 215246825 /nfs/dbraw/zinc/24/68/25/215246825.db2.gz VENJIVNUQBLGRH-NSHDSACASA-N 0 0 333.347 2.345 50 30 EEEARN N#Cc1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 ZINC000104126173 219349232 /nfs/dbraw/zinc/34/92/32/219349232.db2.gz MEFGNIQKEKQLDD-HNNXBMFYSA-N 0 0 333.347 2.016 50 30 EEEARN C=CCN(C(C)=O)[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000001791403 209794420 /nfs/dbraw/zinc/79/44/20/209794420.db2.gz LCIDFOCHIOZUNP-INIZCTEOSA-N 0 0 330.384 2.142 50 30 EEEARN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000685939812 539988763 /nfs/dbraw/zinc/98/87/63/539988763.db2.gz JVVCYEDNVXMEBQ-MRXNPFEDSA-N 0 0 340.431 2.049 50 30 EEEARN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCC ZINC000037143321 213134032 /nfs/dbraw/zinc/13/40/32/213134032.db2.gz FAXPFZGKDQYFDU-SFHVURJKSA-N 0 0 328.368 2.105 50 30 EEEARN N#Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023674169 212388960 /nfs/dbraw/zinc/38/89/60/212388960.db2.gz OHBAORJUGXLJBP-UHFFFAOYSA-N 0 0 335.407 2.281 50 30 EEEARN COCc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000014186244 211704785 /nfs/dbraw/zinc/70/47/85/211704785.db2.gz PEUBAUDNYVVBHW-ACJLOTCBSA-N 0 0 332.400 2.433 50 30 EEEARN CCN1C[C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O ZINC000091626322 218036017 /nfs/dbraw/zinc/03/60/17/218036017.db2.gz FBZZXJOVWGXISD-QGZVFWFLSA-N 0 0 325.412 2.133 50 30 EEEARN COCCN1CCC[C@]2(CCN(c3nc(C)cc(C)c3C#N)C2)C1=O ZINC000091770668 218063582 /nfs/dbraw/zinc/06/35/82/218063582.db2.gz UPSCILJBRYUPHB-LJQANCHMSA-N 0 0 342.443 2.035 50 30 EEEARN COCc1nn2c(ncc(C#N)c2N)c1-c1ccc(OC)c(OC)c1 ZINC000009261115 211060095 /nfs/dbraw/zinc/06/00/95/211060095.db2.gz JSMYJUJHEPGDEV-UHFFFAOYSA-N 0 0 339.355 2.014 50 30 EEEARN COCCN1CCC[C@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O ZINC000095361586 218294510 /nfs/dbraw/zinc/29/45/10/218294510.db2.gz QPWPEPOABVRYNW-LJQANCHMSA-N 0 0 342.443 2.035 50 30 EEEARN O=C1CCCC2=Nc3nnnn3[C@H](c3ccc(Br)cc3)C12 ZINC000018195991 296317004 /nfs/dbraw/zinc/31/70/04/296317004.db2.gz YASSNHLYVLABDL-CYBMUJFWSA-N 0 0 346.188 2.458 50 30 EEEARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)CCC#N)cc1 ZINC000004863818 210305537 /nfs/dbraw/zinc/30/55/37/210305537.db2.gz DUBXKTTUYXIUKP-MRXNPFEDSA-N 0 0 342.399 2.227 50 30 EEEARN CCn1c2ccccc2n(C[C@@H](O)COc2ccc(C#N)cc2)c1=O ZINC000032885766 258058816 /nfs/dbraw/zinc/05/88/16/258058816.db2.gz YBTNZIQFAMITRD-OAHLLOKOSA-N 0 0 337.379 2.134 50 30 EEEARN COc1ccccc1CC(=O)ONC(=N)c1ccc(OC)c(OC)c1 ZINC000008573018 262520837 /nfs/dbraw/zinc/52/08/37/262520837.db2.gz CNTHELRZBOGIMT-UHFFFAOYSA-N 0 0 344.367 2.119 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2ccccc2OC)C(=O)CC1(C)C ZINC000100318939 277343336 /nfs/dbraw/zinc/34/33/36/277343336.db2.gz KIWNOSNYBRBEMS-NKSUMMKUSA-N 0 0 331.368 2.348 50 30 EEEARN Cc1ccsc1/C=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000372826 462557471 /nfs/dbraw/zinc/55/74/71/462557471.db2.gz UEKYSUAZFARKBL-MDWZMJQESA-N 0 0 325.371 2.277 50 30 EEEARN CCOC(=O)[C@@H]1C(=O)C=C(N2CCOCC2)C[C@H]1c1ccccc1 ZINC000000227652 462550420 /nfs/dbraw/zinc/55/04/20/462550420.db2.gz GNBGVXYUAWIXRL-WMZOPIPTSA-N 0 0 329.396 2.138 50 30 EEEARN CCN(C(=O)Cn1c(C)cc(COC)c(C#N)c1=O)c1ccccc1 ZINC000000582986 462571673 /nfs/dbraw/zinc/57/16/73/462571673.db2.gz YXUMBRKPFBKCGY-UHFFFAOYSA-N 0 0 339.395 2.228 50 30 EEEARN N#Cc1c2c(sc1NC(=O)Cn1cnc([N+](=O)[O-])n1)CCCCC2 ZINC000002083615 462588943 /nfs/dbraw/zinc/58/89/43/462588943.db2.gz PGBPRWNVLAIXLF-UHFFFAOYSA-N 0 0 346.372 2.027 50 30 EEEARN N#Cc1ccc(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 ZINC000006602706 462691580 /nfs/dbraw/zinc/69/15/80/462691580.db2.gz JREUVGXYQXBZRA-UHFFFAOYSA-N 0 0 335.319 2.118 50 30 EEEARN N#Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1 ZINC000007006968 462716651 /nfs/dbraw/zinc/71/66/51/462716651.db2.gz WTUDAYPKEGISLD-UHFFFAOYSA-N 0 0 330.384 2.319 50 30 EEEARN CCc1ccc(-c2nnn(CC(=O)NC3(C#N)CCCCC3)n2)cc1 ZINC000007041307 462718879 /nfs/dbraw/zinc/71/88/79/462718879.db2.gz DSCWVOYZPQRQBM-UHFFFAOYSA-N 0 0 338.415 2.245 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(SCc2ccccc2C#N)nc1 ZINC000007102875 462721939 /nfs/dbraw/zinc/72/19/39/462721939.db2.gz QMZOAORYACHJDT-UHFFFAOYSA-N 0 0 333.438 2.496 50 30 EEEARN C=CCN1C(=O)c2ccc(C(=O)NOCc3ccccc3)cc2C1=O ZINC000008096933 462766762 /nfs/dbraw/zinc/76/67/62/462766762.db2.gz JGYWYTJADGPIFT-UHFFFAOYSA-N 0 0 336.347 2.330 50 30 EEEARN CCCc1nc(CN2CC[C@H](CNc3ccc(C#N)cn3)C2)no1 ZINC000065512172 462784678 /nfs/dbraw/zinc/78/46/78/462784678.db2.gz PJHITGZJUGQDPR-CQSZACIVSA-N 0 0 326.404 2.223 50 30 EEEARN CC(C)Cn1nnnc1S[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000012852513 462871677 /nfs/dbraw/zinc/87/16/77/462871677.db2.gz BNGHKAFJQPPVHF-LLVKDONJSA-N 0 0 330.417 2.320 50 30 EEEARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)NC1(C#N)CCCCC1 ZINC000012922301 462875471 /nfs/dbraw/zinc/87/54/71/462875471.db2.gz QSRUXGFNIOMDQD-UHFFFAOYSA-N 0 0 346.406 2.039 50 30 EEEARN N#Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2F)c1 ZINC000014185330 462916623 /nfs/dbraw/zinc/91/66/23/462916623.db2.gz VVEHYSSFZJAHMK-UHFFFAOYSA-N 0 0 332.356 2.500 50 30 EEEARN COc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000014268925 462922896 /nfs/dbraw/zinc/92/28/96/462922896.db2.gz CVEHSUYSROMROX-UHFFFAOYSA-N 0 0 337.383 2.212 50 30 EEEARN C#CCOc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OC ZINC000015107526 462941850 /nfs/dbraw/zinc/94/18/50/462941850.db2.gz XAALLJKFFZJMMW-JTQLQIEISA-N 0 0 329.381 2.220 50 30 EEEARN O=C(Nc1ncc([N+](=O)[O-])s1)c1c(O)nc2ccccc2c1O ZINC000018107725 463006483 /nfs/dbraw/zinc/00/64/83/463006483.db2.gz VNPDLLXNWNSFKP-UHFFFAOYSA-N 0 0 332.297 2.235 50 30 EEEARN CN(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000025102017 463109762 /nfs/dbraw/zinc/10/97/62/463109762.db2.gz MGKIELZZLFEINK-UHFFFAOYSA-N 0 0 325.412 2.165 50 30 EEEARN CCN1CCN(c2oc(COc3ccc(OC)cc3)nc2C#N)CC1 ZINC000026580387 463167296 /nfs/dbraw/zinc/16/72/96/463167296.db2.gz XZCFYTAHIAZEMJ-UHFFFAOYSA-N 0 0 342.399 2.276 50 30 EEEARN CCCc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)cc1 ZINC000032575676 463382225 /nfs/dbraw/zinc/38/22/25/463382225.db2.gz FUFRYJXGOHMTPO-BOPFTXTBSA-N 0 0 334.397 2.363 50 30 EEEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc2c1OCC(=O)N2 ZINC000103796097 463406088 /nfs/dbraw/zinc/40/60/88/463406088.db2.gz GOPRDVWBWMOQHP-LBPRGKRZSA-N 0 0 346.346 2.394 50 30 EEEARN N#Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000107362721 463567914 /nfs/dbraw/zinc/56/79/14/463567914.db2.gz DNJPJFPTOWEYCP-UXHICEINSA-N 0 0 347.418 2.284 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC000575612230 468148827 /nfs/dbraw/zinc/14/88/27/468148827.db2.gz JWLYIPWDTOEQPF-MRXNPFEDSA-N 0 0 343.408 2.185 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000007652150 519828921 /nfs/dbraw/zinc/82/89/21/519828921.db2.gz VOABAXKZMDLNQH-OZSKJFCKSA-N 0 0 345.355 2.206 50 30 EEEARN COc1ccc(C(=N)NOC(=O)COc2cccc(C)c2)cc1OC ZINC000004318690 523367633 /nfs/dbraw/zinc/36/76/33/523367633.db2.gz QYDMKKRITUAQJB-UHFFFAOYSA-N 0 0 344.367 2.255 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2ccccc2OC)C(=O)CC1(C)C ZINC000103694434 690098964 /nfs/dbraw/zinc/09/89/64/690098964.db2.gz KIWNOSNYBRBEMS-JQPIKURYSA-N 0 0 331.368 2.348 50 30 EEEARN C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC001198015786 1284928199 /nfs/dbraw/zinc/92/81/99/1284928199.db2.gz OTOVAIVCCVKOJC-QGZVFWFLSA-N 0 0 343.471 2.142 50 30 EEEARN O=C1Oc2ccccc2C(=O)C1=CNCc1nc2cc(F)ccc2[nH]1 ZINC001547201147 1124226240 /nfs/dbraw/zinc/22/62/40/1124226240.db2.gz XQSLEUFWXGNXCS-XYOKQWHBSA-N 0 0 337.310 2.477 50 30 EEEARN C=CCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O ZINC000004411968 210189800 /nfs/dbraw/zinc/18/98/00/210189800.db2.gz AWZJGCFMTJXPIC-UHFFFAOYSA-N 0 0 331.397 2.286 50 30 EEEARN Cc1nnc(=O)[nH]c1NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000003946851 210093873 /nfs/dbraw/zinc/09/38/73/210093873.db2.gz IUFJJHQIWSNSKX-YBFXNURJSA-N 0 0 335.367 2.498 50 30 EEEARN Cc1cc(C(F)(F)F)nn1CC(=N)NOC(=O)c1ccccc1F ZINC000036612024 213101496 /nfs/dbraw/zinc/10/14/96/213101496.db2.gz UXFAYJVVXYUXFF-UHFFFAOYSA-N 0 0 344.268 2.479 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021784906 212249810 /nfs/dbraw/zinc/24/98/10/212249810.db2.gz KJNGPVOZSDKCRR-JTQLQIEISA-N 0 0 347.346 2.248 50 30 EEEARN C=C(C)CNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1 ZINC000012225482 211325493 /nfs/dbraw/zinc/32/54/93/211325493.db2.gz GTAZEHLCXUCTNO-UHFFFAOYSA-N 0 0 346.427 2.009 50 30 EEEARN C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000091747044 218059432 /nfs/dbraw/zinc/05/94/32/218059432.db2.gz HJKXUANLKUIOHB-QGZVFWFLSA-N 0 0 339.457 2.343 50 30 EEEARN CC(C)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC000092065741 218112753 /nfs/dbraw/zinc/11/27/53/218112753.db2.gz BPJYAXUPOKBPCE-SJORKVTESA-N 0 0 342.443 2.275 50 30 EEEARN CCOC(=O)c1cnc(SCC(=O)c2ccc(C#N)cc2)nc1N ZINC000008787839 211008100 /nfs/dbraw/zinc/00/81/00/211008100.db2.gz XMGJHCWLJRAGCL-UHFFFAOYSA-N 0 0 342.380 2.082 50 30 EEEARN N#Cc1cccc(NC(=O)c2cn(C[C@H](O)c3ccccc3)nn2)c1 ZINC000075164010 264026028 /nfs/dbraw/zinc/02/60/28/264026028.db2.gz UVPNWOPLEPSLBT-KRWDZBQOSA-N 0 0 333.351 2.136 50 30 EEEARN CCOc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2 ZINC000000454009 276497345 /nfs/dbraw/zinc/49/73/45/276497345.db2.gz KJRSGZYEBOIVJY-UHFFFAOYSA-N 0 0 335.319 2.038 50 30 EEEARN Cc1cccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c1C ZINC000005092637 278921812 /nfs/dbraw/zinc/92/18/12/278921812.db2.gz KAGQDZIQMOLXMC-UHFFFAOYSA-N 0 0 346.390 2.257 50 30 EEEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000000087816 280331960 /nfs/dbraw/zinc/33/19/60/280331960.db2.gz SLJSYCVEWCUTDY-CYBMUJFWSA-N 0 0 343.342 2.228 50 30 EEEARN C=CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000079509 462541077 /nfs/dbraw/zinc/54/10/77/462541077.db2.gz POAYRZMVXBIWRP-UHFFFAOYSA-N 0 0 346.387 2.041 50 30 EEEARN N#Cc1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000001423503 462580999 /nfs/dbraw/zinc/58/09/99/462580999.db2.gz WPEOJMNWDLHNDM-UHFFFAOYSA-N 0 0 331.357 2.242 50 30 EEEARN COCCN1CC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1N ZINC000003231072 462612061 /nfs/dbraw/zinc/61/20/61/462612061.db2.gz BIFZGMSAQXXDFY-UHFFFAOYSA-N 0 0 333.388 2.108 50 30 EEEARN N#Cc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000003223265 462612220 /nfs/dbraw/zinc/61/22/20/462612220.db2.gz FWJPWKFPJOWMOJ-UHFFFAOYSA-N 0 0 339.370 2.425 50 30 EEEARN N#Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000003249213 462613322 /nfs/dbraw/zinc/61/33/22/462613322.db2.gz MIWFNQQLPLBNCZ-UHFFFAOYSA-N 0 0 338.319 2.125 50 30 EEEARN COc1cccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@H](C(C)C)C3)c1 ZINC000006760620 462704794 /nfs/dbraw/zinc/70/47/94/462704794.db2.gz FJKMXBFQYLAQEI-KRWDZBQOSA-N 0 0 339.395 2.397 50 30 EEEARN C=CCOc1cccc(CN(CC)C(=O)[C@H]2CCCN(C(N)=O)C2)c1 ZINC000065491058 462780660 /nfs/dbraw/zinc/78/06/60/462780660.db2.gz XRVHGHYVDICOBP-INIZCTEOSA-N 0 0 345.443 2.391 50 30 EEEARN COc1ccc(NC(=O)ONC(=N)[C@@H]2COc3ccccc3O2)cc1 ZINC000008567176 462789032 /nfs/dbraw/zinc/78/90/32/462789032.db2.gz SMSXEIINTFMKSW-HNNXBMFYSA-N 0 0 343.339 2.356 50 30 EEEARN CCCc1nc(CN2CC[C@@H](CNc3ncccc3C#N)C2)no1 ZINC000065531920 462790637 /nfs/dbraw/zinc/79/06/37/462790637.db2.gz IFMVZODJVYAZKB-ZDUSSCGKSA-N 0 0 326.404 2.223 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000118753130 462850439 /nfs/dbraw/zinc/85/04/39/462850439.db2.gz PKWRLGKCBGGRFV-AWEZNQCLSA-N 0 0 329.337 2.407 50 30 EEEARN C=CCC(O)(CC=C)CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012613073 462860706 /nfs/dbraw/zinc/86/07/06/462860706.db2.gz OUSKKFSZVRXMPY-OAHLLOKOSA-N 0 0 334.460 2.167 50 30 EEEARN CCn1cnnc1SCC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000012928706 462875976 /nfs/dbraw/zinc/87/59/76/462875976.db2.gz GMWXSKIBGWCBNE-UHFFFAOYSA-N 0 0 333.392 2.476 50 30 EEEARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccccc1C#N ZINC000013148244 462887273 /nfs/dbraw/zinc/88/72/73/462887273.db2.gz CQNJJFGUVGHYNW-OKILXGFUSA-N 0 0 330.384 2.270 50 30 EEEARN COc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c(O)c2c1 ZINC000015828918 462964619 /nfs/dbraw/zinc/96/46/19/462964619.db2.gz KSXBBWHAWAJWLQ-UHFFFAOYSA-N 0 0 340.360 2.241 50 30 EEEARN CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1C#N ZINC000018094137 463005615 /nfs/dbraw/zinc/00/56/15/463005615.db2.gz LXEAHMJGOWNALV-CYBMUJFWSA-N 0 0 328.397 2.459 50 30 EEEARN N#Cc1ccc(N2CCC(C(=O)NOCc3ccccc3)CC2)nc1 ZINC000024060487 463077847 /nfs/dbraw/zinc/07/78/47/463077847.db2.gz UXDSUJRDLJTPER-UHFFFAOYSA-N 0 0 336.395 2.418 50 30 EEEARN CC(C)Cc1nnc(NC(=O)COc2cccc(-n3cnnc3)c2)[nH]1 ZINC000095475377 463091924 /nfs/dbraw/zinc/09/19/24/463091924.db2.gz IERFMDZTTMNISV-UHFFFAOYSA-N 0 0 341.375 2.251 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000123843792 463373924 /nfs/dbraw/zinc/37/39/24/463373924.db2.gz OLEYHHZBQQSIIJ-LLVKDONJSA-N 0 0 334.257 2.457 50 30 EEEARN CC(=CC(O)=C(C#N)C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000103682088 463406209 /nfs/dbraw/zinc/40/62/09/463406209.db2.gz WDVKFNLOEGZCRE-PPAJKHQYSA-N 0 0 330.359 2.233 50 30 EEEARN C[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000104055696 463408142 /nfs/dbraw/zinc/40/81/42/463408142.db2.gz XHGRMCOCANZHEW-TZMCWYRMSA-N 0 0 334.335 2.068 50 30 EEEARN CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000104892450 463427537 /nfs/dbraw/zinc/42/75/37/463427537.db2.gz KQTUTKFAVZBPGR-HIFRSBDPSA-N 0 0 329.400 2.160 50 30 EEEARN C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000008217499 518766938 /nfs/dbraw/zinc/76/69/38/518766938.db2.gz DQBQNXAMJDWUGO-AWEZNQCLSA-N 0 0 344.411 2.257 50 30 EEEARN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC ZINC000005869221 519187566 /nfs/dbraw/zinc/18/75/66/519187566.db2.gz PBOSKFVDHACJPQ-UHFFFAOYSA-N 0 0 332.429 2.190 50 30 EEEARN COc1ccccc1/C=N/[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000004843827 524326033 /nfs/dbraw/zinc/32/60/33/524326033.db2.gz JRMVBSAREKNUEF-QKFYHPGPSA-N 0 0 330.340 2.117 50 30 EEEARN Cc1ccc(OCC(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005092780 525397729 /nfs/dbraw/zinc/39/77/29/525397729.db2.gz SNMTYCDUNJWEFI-UHFFFAOYSA-N 0 0 329.312 2.146 50 30 EEEARN N#CCc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003303199 526486981 /nfs/dbraw/zinc/48/69/81/526486981.db2.gz KLRZLQDGRNPBNV-UHFFFAOYSA-N 0 0 338.319 2.277 50 30 EEEARN NC(=NOCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000015572834 526805013 /nfs/dbraw/zinc/80/50/13/526805013.db2.gz APDZDPNUKOYDHZ-UHFFFAOYSA-N 0 0 347.758 2.344 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)c2ccccc2F)CC1 ZINC000206601176 564003755 /nfs/dbraw/zinc/00/37/55/564003755.db2.gz ALBJYAWPNNZMKL-UHFFFAOYSA-N 0 0 339.374 2.134 50 30 EEEARN CCCSc1ncc(CN2CCCn3nc(C#N)cc3C2)cn1 ZINC000055182760 214283937 /nfs/dbraw/zinc/28/39/37/214283937.db2.gz XYIBYLAGSUFATG-UHFFFAOYSA-N 0 0 328.445 2.453 50 30 EEEARN C=CCN1COc2c(C)c3oc(=O)c(CC(=O)OC)c(C)c3cc2C1 ZINC000061969224 214690547 /nfs/dbraw/zinc/69/05/47/214690547.db2.gz UOZOCHOIXBPQCR-UHFFFAOYSA-N 0 0 343.379 2.463 50 30 EEEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3nonc3N)C2)c(OC)c1 ZINC000101617839 219146995 /nfs/dbraw/zinc/14/69/95/219146995.db2.gz RZXNCCIBWIPSLE-VIFPVBQESA-N 0 0 330.344 2.112 50 30 EEEARN COc1cc(N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)cc(OC)c1 ZINC000127138328 222798474 /nfs/dbraw/zinc/79/84/74/222798474.db2.gz DBNKVPMPDJZTFU-CYBMUJFWSA-N 0 0 339.399 2.446 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCO[C@H](C)C3)sc2C1 ZINC000037191864 213135215 /nfs/dbraw/zinc/13/52/15/213135215.db2.gz XIOFORDSZYDHPS-VXGBXAGGSA-N 0 0 333.457 2.404 50 30 EEEARN O=C(/C=C\c1ccc(I)o1)c1cccc[n+]1[O-] ZINC000035190042 213013501 /nfs/dbraw/zinc/01/35/01/213013501.db2.gz LHNCUBBAJSDTRV-XQRVVYSFSA-N 0 0 341.104 2.414 50 30 EEEARN N#CC1(NC(=O)CSc2ncn(-c3ccccc3)n2)CCCC1 ZINC000011941211 236898260 /nfs/dbraw/zinc/89/82/60/236898260.db2.gz OJWMWOMNXMJEFD-UHFFFAOYSA-N 0 0 327.413 2.312 50 30 EEEARN CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000111185932 237141208 /nfs/dbraw/zinc/14/12/08/237141208.db2.gz SNCUGDXTWYRUMF-KRWDZBQOSA-N 0 0 348.834 2.262 50 30 EEEARN COc1nccc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c1C#N ZINC000218834114 241347712 /nfs/dbraw/zinc/34/77/12/241347712.db2.gz ICWWTPVYNGXCBS-CABCVRRESA-N 0 0 346.412 2.205 50 30 EEEARN CCn1ncc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)c1C ZINC000020607891 212154189 /nfs/dbraw/zinc/15/41/89/212154189.db2.gz VXGXOORHXWQZJY-HNNXBMFYSA-N 0 0 326.404 2.461 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)c1cccc(Cl)c1 ZINC000085558744 217677207 /nfs/dbraw/zinc/67/72/07/217677207.db2.gz VFNZFVQGVMXVBN-UHFFFAOYSA-N 0 0 342.782 2.251 50 30 EEEARN Cc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000011905447 211266127 /nfs/dbraw/zinc/26/61/27/211266127.db2.gz KJCBTEYULGYUNC-UHFFFAOYSA-N 0 0 346.437 2.231 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000010555665 211181627 /nfs/dbraw/zinc/18/16/27/211181627.db2.gz WWNSXMVLEHEPHN-UHFFFAOYSA-N 0 0 337.426 2.168 50 30 EEEARN Cc1[nH]c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1C#N ZINC000095372543 218305729 /nfs/dbraw/zinc/30/57/29/218305729.db2.gz CGZASTFIWPNUTG-CRAIPNDOSA-N 0 0 349.438 2.326 50 30 EEEARN COc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000006626615 210666170 /nfs/dbraw/zinc/66/61/70/210666170.db2.gz WTZBZANABCQUGK-UHFFFAOYSA-N 0 0 332.381 2.054 50 30 EEEARN COC1(OC)[C@H](/C=C\c2ccccc2)C(C#N)(C#N)C1(OC)OC ZINC000017241831 292128136 /nfs/dbraw/zinc/12/81/36/292128136.db2.gz NXUPXBDUVJSWJJ-JQPIKURYSA-N 0 0 328.368 2.341 50 30 EEEARN CCOC(=O)C1CCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000004629031 276274954 /nfs/dbraw/zinc/27/49/54/276274954.db2.gz UEBWYTZROPBFMU-UHFFFAOYSA-N 0 0 328.328 2.118 50 30 EEEARN Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2cnc(C#N)n2)c1C#N ZINC000014144612 278594432 /nfs/dbraw/zinc/59/44/32/278594432.db2.gz WZJAWTLTYDJEMX-UHFFFAOYSA-N 0 0 337.387 2.194 50 30 EEEARN Cc1csc(N2CCN(c3nnc(C)c(C)c3C#N)C[C@H]2C)n1 ZINC000106773679 279041367 /nfs/dbraw/zinc/04/13/67/279041367.db2.gz ITTJWCNOWZPNPG-LLVKDONJSA-N 0 0 328.445 2.445 50 30 EEEARN CCOc1cc(C=NC(=S)Nc2nc(C)cc(=O)[nH]2)ccc1O ZINC000095851129 441953591 /nfs/dbraw/zinc/95/35/91/441953591.db2.gz JQEFNLWQZRMZSD-LZYBPNLTSA-N 0 0 332.385 2.411 50 30 EEEARN CN(/N=C/c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000000088959 462541981 /nfs/dbraw/zinc/54/19/81/462541981.db2.gz PFPUSBJUOBQWOR-MHWRWJLKSA-N 0 0 344.352 2.010 50 30 EEEARN N#Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000002652229 462598484 /nfs/dbraw/zinc/59/84/84/462598484.db2.gz HIMLSQGGQYJVGH-UHFFFAOYSA-N 0 0 330.347 2.416 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc2[nH]c3ccccc3n21 ZINC000006506303 462687632 /nfs/dbraw/zinc/68/76/32/462687632.db2.gz BOCAQYHBALMJPR-MRXNPFEDSA-N 0 0 342.428 2.357 50 30 EEEARN CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(C)CC2)n1 ZINC000007995276 462761626 /nfs/dbraw/zinc/76/16/26/462761626.db2.gz YIHVLOMJEBFYPV-UHFFFAOYSA-N 0 0 325.441 2.489 50 30 EEEARN N#Cc1cccc(COC(=O)C[C@@H](NC(N)=O)c2cccs2)c1 ZINC000014412659 462927448 /nfs/dbraw/zinc/92/74/48/462927448.db2.gz ZCHGDMZSDCWLCW-CYBMUJFWSA-N 0 0 329.381 2.463 50 30 EEEARN C=CCCC(=O)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000015072379 462941036 /nfs/dbraw/zinc/94/10/36/462941036.db2.gz WAVZYPZOVJOOGB-MRXNPFEDSA-N 0 0 344.459 2.145 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c1 ZINC000030940948 463317925 /nfs/dbraw/zinc/31/79/25/463317925.db2.gz RLMVVAIHGWXZMU-UHFFFAOYSA-N 0 0 346.390 2.078 50 30 EEEARN N#CCCn1ncc2c1ncnc2Nc1ccc(N2CCOCC2)cc1 ZINC000097200299 463346600 /nfs/dbraw/zinc/34/66/00/463346600.db2.gz WBVCDRVEMPHSAL-UHFFFAOYSA-N 0 0 349.398 2.320 50 30 EEEARN N#Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1 ZINC000220481444 464116868 /nfs/dbraw/zinc/11/68/68/464116868.db2.gz FQALPJMYWLYYPA-HZPDHXFCSA-N 0 0 343.408 2.119 50 30 EEEARN CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccccc1C#N ZINC000221279183 464120929 /nfs/dbraw/zinc/12/09/29/464120929.db2.gz RENPBRKJIRONQQ-CQSZACIVSA-N 0 0 325.412 2.421 50 30 EEEARN COc1ccc(C=NN2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000245238441 464468971 /nfs/dbraw/zinc/46/89/71/464468971.db2.gz OVGFZELXPPKSKI-UHFFFAOYSA-N 0 0 326.400 2.255 50 30 EEEARN CSC(=N)NC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000015660082 518173477 /nfs/dbraw/zinc/17/34/77/518173477.db2.gz BBKCSEXVLIEUBM-UHFFFAOYSA-N 0 0 333.438 2.500 50 30 EEEARN C=CCNc1nc(C(=O)OCc2cc(=O)n3ccccc3n2)cs1 ZINC000018357933 518963241 /nfs/dbraw/zinc/96/32/41/518963241.db2.gz WMVYERWHTYCGKH-UHFFFAOYSA-N 0 0 342.380 2.106 50 30 EEEARN C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(N)=O ZINC000000483911 519184374 /nfs/dbraw/zinc/18/43/74/519184374.db2.gz UBNISPLQFHXSJM-UHFFFAOYSA-N 0 0 337.836 2.307 50 30 EEEARN N#C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000104394471 534745081 /nfs/dbraw/zinc/74/50/81/534745081.db2.gz XWDJWHWVFZBUOW-AEFFLSMTSA-N 0 0 349.390 2.083 50 30 EEEARN N#Cc1cc(F)cc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000826768253 800422510 /nfs/dbraw/zinc/42/25/10/800422510.db2.gz SCKIGJQIRYHFSC-ZDUSSCGKSA-N 0 0 329.375 2.218 50 30 EEEARN C#CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Cl ZINC000004723932 210260366 /nfs/dbraw/zinc/26/03/66/210260366.db2.gz SNJNNOMJAGUJBV-JYRVWZFOSA-N 0 0 334.784 2.458 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004716204 210258476 /nfs/dbraw/zinc/25/84/76/210258476.db2.gz REEHKSYZWDRCPQ-CQSZACIVSA-N 0 0 341.327 2.204 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC ZINC000004716214 210257415 /nfs/dbraw/zinc/25/74/15/210257415.db2.gz PFMYVIKXCZBACU-OAHLLOKOSA-N 0 0 326.356 2.305 50 30 EEEARN N#Cc1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCCC2 ZINC000004392495 210187569 /nfs/dbraw/zinc/18/75/69/210187569.db2.gz PJJSTKHBSBBAPZ-SNVBAGLBSA-N 0 0 338.454 2.262 50 30 EEEARN O=C(NC[C@H]1CCCO1)c1ccc(NC=C2C(=O)CCCC2=O)cc1 ZINC000003623975 210068987 /nfs/dbraw/zinc/06/89/87/210068987.db2.gz MWSZCNAEZJNSHV-OAHLLOKOSA-N 0 0 342.395 2.213 50 30 EEEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]CCNc1ccccc1)C2 ZINC000067674847 215181221 /nfs/dbraw/zinc/18/12/21/215181221.db2.gz GYOLIEFIZZMSRP-OAHLLOKOSA-N 0 0 340.427 2.326 50 30 EEEARN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000104308463 219372994 /nfs/dbraw/zinc/37/29/94/219372994.db2.gz ROTQBVYWZPRCAN-SDXDJHTJSA-N 0 0 335.429 2.238 50 30 EEEARN CCCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nccc2n1 ZINC000072477147 216255641 /nfs/dbraw/zinc/25/56/41/216255641.db2.gz IQWZGGVOBQAKFR-UHFFFAOYSA-N 0 0 347.426 2.275 50 30 EEEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000022454182 212297870 /nfs/dbraw/zinc/29/78/70/212297870.db2.gz REZNYMBOKBQBSI-UHFFFAOYSA-N 0 0 327.317 2.432 50 30 EEEARN N#Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cn1 ZINC000219357771 241383175 /nfs/dbraw/zinc/38/31/75/241383175.db2.gz QIXULVUJIXWEPB-SJORKVTESA-N 0 0 341.342 2.059 50 30 EEEARN COC(=O)CSc1nc(N)c(C#N)c(-c2ccc(O)cc2)c1C#N ZINC000020813967 212174009 /nfs/dbraw/zinc/17/40/09/212174009.db2.gz XYKMQJNWTDLWSQ-UHFFFAOYSA-N 0 0 340.364 2.045 50 30 EEEARN Cc1ccc2nc(NC3=NCN(Cc4ccccn4)CN3)nc(C)c2c1 ZINC000019330381 212016068 /nfs/dbraw/zinc/01/60/68/212016068.db2.gz IKOBKWNGEGYRLT-UHFFFAOYSA-N 0 0 347.426 2.239 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1nc2ccccc2c(NCC)n1 ZINC000009690469 211114499 /nfs/dbraw/zinc/11/44/99/211114499.db2.gz AMIVOJFZGQVUPV-UHFFFAOYSA-N 0 0 345.428 2.166 50 30 EEEARN CCOC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)c(C#N)c1C ZINC000009001878 211029671 /nfs/dbraw/zinc/02/96/71/211029671.db2.gz QJWFZNWAXOVKRS-UHFFFAOYSA-N 0 0 332.385 2.399 50 30 EEEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 ZINC000102798854 258069531 /nfs/dbraw/zinc/06/95/31/258069531.db2.gz MOKAQXHDEUPJSX-HVESIFNPSA-N 0 0 337.375 2.409 50 30 EEEARN COc1ccc(S(=O)(=O)c2c(C#N)c(C(F)(F)F)nn2C)cc1 ZINC000005669937 286352692 /nfs/dbraw/zinc/35/26/92/286352692.db2.gz ACZYEJIIFXVLIY-UHFFFAOYSA-N 0 0 345.302 2.152 50 30 EEEARN COc1cccc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000000162475 274144325 /nfs/dbraw/zinc/14/43/25/274144325.db2.gz HYQDNPKFGWAMAV-UHFFFAOYSA-N 0 0 336.307 2.361 50 30 EEEARN C#CC1(NS(=O)(=O)c2ccc(C(=O)OCC)cc2)CCCCC1 ZINC000004323822 276774338 /nfs/dbraw/zinc/77/43/38/276774338.db2.gz IHQHLGCODGBADF-UHFFFAOYSA-N 0 0 335.425 2.478 50 30 EEEARN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000106152898 288202837 /nfs/dbraw/zinc/20/28/37/288202837.db2.gz YRGAGXWGSYPXGP-IIDMSEBBSA-N 0 0 327.428 2.272 50 30 EEEARN CC(=O)N1CCc2cc(NN=C3C(=O)CC(C)(C)CC3=O)ccc21 ZINC000001465769 462583899 /nfs/dbraw/zinc/58/38/99/462583899.db2.gz WTJDAIUHHYUASO-UHFFFAOYSA-N 0 0 327.384 2.322 50 30 EEEARN C[C@](C#N)(NC(=O)CSc1nnc(-c2cccnc2)o1)C1CC1 ZINC000006100325 462677562 /nfs/dbraw/zinc/67/75/62/462677562.db2.gz CSWRWDJYLLNDMQ-OAHLLOKOSA-N 0 0 329.385 2.032 50 30 EEEARN Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000007548049 462739955 /nfs/dbraw/zinc/73/99/55/462739955.db2.gz XFGABSFSYUIGCR-SECBINFHSA-N 0 0 330.369 2.089 50 30 EEEARN CC(C)c1nnsc1CNC(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000065376577 462759259 /nfs/dbraw/zinc/75/92/59/462759259.db2.gz GTKXNJRYQLXFBP-UHFFFAOYSA-N 0 0 333.413 2.307 50 30 EEEARN C=CCN(CC=C)C(=O)CN(C)CC(=O)Nc1ccccc1SC ZINC000008036512 462763884 /nfs/dbraw/zinc/76/38/84/462763884.db2.gz NLQXUAAUVCVMBA-UHFFFAOYSA-N 0 0 347.484 2.479 50 30 EEEARN COc1ccccc1OCC#CCNC(=O)Cn1cnc2ccccc21 ZINC000090610327 462802613 /nfs/dbraw/zinc/80/26/13/462802613.db2.gz BLJKAUPNVAIFAR-UHFFFAOYSA-N 0 0 349.390 2.244 50 30 EEEARN CS(=O)(=O)N(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000047613801 462804502 /nfs/dbraw/zinc/80/45/02/462804502.db2.gz GODFJGKLLRNGCX-UHFFFAOYSA-N 0 0 325.393 2.392 50 30 EEEARN COc1cc(/C=N/NC(=S)Nc2cccnc2)cc(OC)c1OC ZINC000013685989 462899456 /nfs/dbraw/zinc/89/94/56/462899456.db2.gz LASDRZGAEHBNKK-GIJQJNRQSA-N 0 0 346.412 2.428 50 30 EEEARN COc1ccc(CN2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC ZINC000013693071 462901464 /nfs/dbraw/zinc/90/14/64/462901464.db2.gz LZIGTVZICZKOJU-UHFFFAOYSA-N 0 0 345.424 2.181 50 30 EEEARN Cc1ccc(C2(O)CCN(C(=O)Nc3ccc(C#N)nc3)CC2)nc1 ZINC000095512415 463099327 /nfs/dbraw/zinc/09/93/27/463099327.db2.gz ZALNVECBXXQFEX-UHFFFAOYSA-N 0 0 337.383 2.172 50 30 EEEARN CC(C)CN1CCN(C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)C1=O ZINC000096166761 463193886 /nfs/dbraw/zinc/19/38/86/463193886.db2.gz DYQULCNHGUDMQR-LBPRGKRZSA-N 0 0 332.379 2.418 50 30 EEEARN C=CCN1C[C@@H](c2nc3ccccc3n2CC(=O)OCC)CC1=O ZINC000027792521 463205163 /nfs/dbraw/zinc/20/51/63/463205163.db2.gz YWXPRSYFZZEJGM-ZDUSSCGKSA-N 0 0 327.384 2.101 50 30 EEEARN C#CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1snnc1C ZINC000100875951 463375296 /nfs/dbraw/zinc/37/52/96/463375296.db2.gz NQCSHQVLRZYKDV-NXVVXOECSA-N 0 0 344.421 2.246 50 30 EEEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000104055552 463407573 /nfs/dbraw/zinc/40/75/73/463407573.db2.gz CEQIFSRTPJYEOJ-DZGCQCFKSA-N 0 0 334.335 2.247 50 30 EEEARN N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]1)C(=O)Nc1ccccn1 ZINC000104055795 463407792 /nfs/dbraw/zinc/40/77/92/463407792.db2.gz VCZQQDFPSOQDHN-LBPRGKRZSA-N 0 0 333.351 2.238 50 30 EEEARN COc1ccc(C=C2NC(=O)C(=CNCc3ccccc3)C2=O)cc1 ZINC000106052610 463504519 /nfs/dbraw/zinc/50/45/19/463504519.db2.gz YNNSEEMAALTRDS-XFDYPBSCSA-N 0 0 334.375 2.409 50 30 EEEARN N#Cc1ccc(C(=O)N2CCC(CCN3CCCC3=O)CC2)cc1 ZINC000082109274 463515894 /nfs/dbraw/zinc/51/58/94/463515894.db2.gz VMCZEWWYJBVQBK-UHFFFAOYSA-N 0 0 325.412 2.423 50 30 EEEARN CCOc1cccc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1 ZINC000106705906 463531879 /nfs/dbraw/zinc/53/18/79/463531879.db2.gz NQIHGHFCUBUCDO-UHFFFAOYSA-N 0 0 328.416 2.213 50 30 EEEARN COC1CN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000253407966 465003485 /nfs/dbraw/zinc/00/34/85/465003485.db2.gz WYILDKBMIMQKQU-UHFFFAOYSA-N 0 0 343.408 2.194 50 30 EEEARN C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1C ZINC000008132855 519167419 /nfs/dbraw/zinc/16/74/19/519167419.db2.gz OGKGCWHSXNXVNE-SFHVURJKSA-N 0 0 329.400 2.194 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)[C@H](C#N)c2nc(C)cs2)n1 ZINC000014136159 521343110 /nfs/dbraw/zinc/34/31/10/521343110.db2.gz JMGOAANNGCHLKO-NSHDSACASA-N 0 0 348.453 2.456 50 30 EEEARN COc1ccccc1CC(=O)ONC(=N)c1cccc([N+](=O)[O-])c1 ZINC000004845040 524387985 /nfs/dbraw/zinc/38/79/85/524387985.db2.gz KYOKQORWNKMJGV-UHFFFAOYSA-N 0 0 329.312 2.010 50 30 EEEARN N#CC1(NC(=O)COC(=O)CCCOc2ccccc2)CCCC1 ZINC000004318219 526435899 /nfs/dbraw/zinc/43/58/99/526435899.db2.gz NBESIEKKVACOIV-UHFFFAOYSA-N 0 0 330.384 2.341 50 30 EEEARN N#CCc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 ZINC000022872037 526487841 /nfs/dbraw/zinc/48/78/41/526487841.db2.gz GIKDONVKEDUJCT-UHFFFAOYSA-N 0 0 334.375 2.494 50 30 EEEARN N#Cc1cc2c(nc1N1CC(=O)N[C@@H](Cc3ccccc3)C1)CCCC2 ZINC001772711329 1179304812 /nfs/dbraw/zinc/30/48/12/1179304812.db2.gz BJNZRSIOPOXOTN-SFHVURJKSA-N 0 0 346.434 2.380 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000055052587 214267692 /nfs/dbraw/zinc/26/76/92/214267692.db2.gz DDCDSWUSQAZJJM-KRWDZBQOSA-N 0 0 338.407 2.468 50 30 EEEARN CC#CCn1c2cc(C(=O)[O-])ccc2n(C[C@H]2CCC[N@H+]2CC)c1=O ZINC000055283530 214301478 /nfs/dbraw/zinc/30/14/78/214301478.db2.gz ASXZXUHXLIAGJD-OAHLLOKOSA-N 0 0 341.411 2.009 50 30 EEEARN CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000003424284 210036140 /nfs/dbraw/zinc/03/61/40/210036140.db2.gz PTJICZVDUMFTMH-GOSISDBHSA-N 0 0 342.399 2.243 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000102727709 219225701 /nfs/dbraw/zinc/22/57/01/219225701.db2.gz NGRSEHHLFNJPKL-DPEHCCBOSA-N 0 0 345.326 2.487 50 30 EEEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 ZINC000102883512 219237832 /nfs/dbraw/zinc/23/78/32/219237832.db2.gz AGZUQZWMDCHGJD-HVESIFNPSA-N 0 0 337.375 2.409 50 30 EEEARN N#Cc1cccnc1N1CCC(NC(=O)CCc2cccnc2)CC1 ZINC000219183652 241368746 /nfs/dbraw/zinc/36/87/46/241368746.db2.gz RFNDGWUYYJHMKM-UHFFFAOYSA-N 0 0 335.411 2.066 50 30 EEEARN CCOC(=O)/C(=N\OC)c1cn2cc(Br)ccc2n1 ZINC000020807309 212173324 /nfs/dbraw/zinc/17/33/24/212173324.db2.gz QJVCUEXZDJPMFA-PTNGSMBKSA-N 0 0 326.150 2.010 50 30 EEEARN N#Cc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000014158535 211695163 /nfs/dbraw/zinc/69/51/63/211695163.db2.gz TWVFWSVZDCREPQ-UHFFFAOYSA-N 0 0 326.381 2.323 50 30 EEEARN COCc1cc(C)n(Cc2nnc(-c3ccccc3)o2)c(=O)c1C#N ZINC000013547972 211575923 /nfs/dbraw/zinc/57/59/23/211575923.db2.gz CKBWJDZXYNWBMF-UHFFFAOYSA-N 0 0 336.351 2.273 50 30 EEEARN COc1cc(-c2nc(C(=O)NCC#N)c(C)s2)cc(OC)c1OC ZINC000011866150 211261135 /nfs/dbraw/zinc/26/11/35/211261135.db2.gz MOXKHMDKTQVUJL-UHFFFAOYSA-N 0 0 347.396 2.398 50 30 EEEARN CS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1 ZINC000009838170 211126590 /nfs/dbraw/zinc/12/65/90/211126590.db2.gz VYJLYQLGFQYLOR-UHFFFAOYSA-N 0 0 345.376 2.198 50 30 EEEARN CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 ZINC000005216348 210415785 /nfs/dbraw/zinc/41/57/85/210415785.db2.gz SDBGKGISJZKUGD-UBQVSUSGSA-N 0 0 338.454 2.006 50 30 EEEARN CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)c1cnc(N)s1 ZINC000005003917 210359129 /nfs/dbraw/zinc/35/91/29/210359129.db2.gz NBJRHQYYPWMWKO-CPNJWEJPSA-N 0 0 332.385 2.307 50 30 EEEARN N#Cc1ccc(OCC(=O)OCC(=O)N2CCCCCCC2)cc1 ZINC000007276204 258052632 /nfs/dbraw/zinc/05/26/32/258052632.db2.gz BJOZHYWRZLMKSX-UHFFFAOYSA-N 0 0 330.384 2.273 50 30 EEEARN Cc1sc2[nH]c([C@H](C#N)C(=O)NCc3ccco3)nc(=O)c2c1C ZINC000122064845 222007969 /nfs/dbraw/zinc/00/79/69/222007969.db2.gz LPGNXXLNTKOIGI-NSHDSACASA-N 0 0 342.380 2.118 50 30 EEEARN CCCCCCCCCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000002258840 276226870 /nfs/dbraw/zinc/22/68/70/276226870.db2.gz ZSXGSIGMFFRAEZ-UHFFFAOYSA-N 0 0 335.452 2.240 50 30 EEEARN Cc1cc(C)cc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c1 ZINC000017824711 280418747 /nfs/dbraw/zinc/41/87/47/280418747.db2.gz ZFDYNCBOGQNOCN-UHFFFAOYSA-N 0 0 346.390 2.257 50 30 EEEARN Cc1ccc(-n2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)cc1 ZINC000004102065 280739103 /nfs/dbraw/zinc/73/91/03/280739103.db2.gz GZLZCHMVYKPCEN-UHFFFAOYSA-N 0 0 328.331 2.179 50 30 EEEARN CNc1snc(N2CCN(c3ccc(OC)cc3)CC2)c1C#N ZINC000001385833 462580224 /nfs/dbraw/zinc/58/02/24/462580224.db2.gz AUEAKVYXNJBTKU-UHFFFAOYSA-N 0 0 329.429 2.392 50 30 EEEARN CCS(=O)(=O)CCOS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000002810243 462604465 /nfs/dbraw/zinc/60/44/65/462604465.db2.gz PJSSIAPSFSTMHP-UHFFFAOYSA-N 0 0 334.459 2.124 50 30 EEEARN CON=CNc1nc2nccc([C@H](C)Oc3cccc(F)c3)n2n1 ZINC000003134407 462611790 /nfs/dbraw/zinc/61/17/90/462611790.db2.gz GZIWXOUMCXUJHP-JTQLQIEISA-N 0 0 330.323 2.405 50 30 EEEARN Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccn2C)cc1 ZINC000004564242 462634168 /nfs/dbraw/zinc/63/41/68/462634168.db2.gz BCADKCZHINRDBV-UHFFFAOYSA-N 0 0 325.368 2.437 50 30 EEEARN C=CCN(CC=C)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000004581653 462635246 /nfs/dbraw/zinc/63/52/46/462635246.db2.gz WPRDUGOWSDBXOB-UHFFFAOYSA-N 0 0 346.408 2.088 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000006314725 462682252 /nfs/dbraw/zinc/68/22/52/462682252.db2.gz GNOPISOCPGCVNC-UHFFFAOYSA-N 0 0 327.409 2.069 50 30 EEEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(O)c1)CC(=O)N2 ZINC000006748280 462703366 /nfs/dbraw/zinc/70/33/66/462703366.db2.gz WDBOLIXHLVRHOL-NSHDSACASA-N 0 0 329.381 2.228 50 30 EEEARN CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000007436520 462735398 /nfs/dbraw/zinc/73/53/98/462735398.db2.gz KQTUTKFAVZBPGR-DZGCQCFKSA-N 0 0 329.400 2.160 50 30 EEEARN C=CCNc1ccccc1C(=O)NCc1noc([C@@H]2CCCO2)n1 ZINC000065371495 462760257 /nfs/dbraw/zinc/76/02/57/462760257.db2.gz DJZBJLHWKLQMGR-AWEZNQCLSA-N 0 0 328.372 2.449 50 30 EEEARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O ZINC000008325727 462779605 /nfs/dbraw/zinc/77/96/05/462779605.db2.gz ZOGVXABLWLHUGF-QFYYESIMSA-N 0 0 346.412 2.059 50 30 EEEARN COc1ccccc1OCC#CCNC(=O)COc1ccc(F)cc1 ZINC000090610376 462802925 /nfs/dbraw/zinc/80/29/25/462802925.db2.gz XCTBJGUMYRKYKC-UHFFFAOYSA-N 0 0 343.354 2.412 50 30 EEEARN COc1cccc(CN2CCN(C(=O)c3ccccc3C#N)CC2=O)c1 ZINC000077358491 462973316 /nfs/dbraw/zinc/97/33/16/462973316.db2.gz BPAVUHABOTZZCJ-UHFFFAOYSA-N 0 0 349.390 2.051 50 30 EEEARN COc1cc(C#N)ccc1OCC(=O)NC(=O)NCc1cccs1 ZINC000016685755 462987673 /nfs/dbraw/zinc/98/76/73/462987673.db2.gz OBNPBMKRDPIFJK-UHFFFAOYSA-N 0 0 345.380 2.033 50 30 EEEARN N#Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 ZINC000024202219 463080906 /nfs/dbraw/zinc/08/09/06/463080906.db2.gz CIQWRRQEDAOKTE-UHFFFAOYSA-N 0 0 334.339 2.060 50 30 EEEARN O=C(Cc1cccc2ccccc21)NCCNC(=O)C1N=CC=CC1=O ZINC000104015336 463407027 /nfs/dbraw/zinc/40/70/27/463407027.db2.gz CBQXOTRGTSMPAR-FMQUCBEESA-N 0 0 349.390 2.025 50 30 EEEARN C[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000104055705 463408465 /nfs/dbraw/zinc/40/84/65/463408465.db2.gz XHGRMCOCANZHEW-OCCSQVGLSA-N 0 0 334.335 2.068 50 30 EEEARN COc1ccc([C@@H](Nc2ccnc(OC)c2C#N)[C@H]2C[C@@H](O)C2)cn1 ZINC000220041836 464114094 /nfs/dbraw/zinc/11/40/94/464114094.db2.gz NYCWUHALWNVEGV-PBFPGSCMSA-N 0 0 340.383 2.290 50 30 EEEARN CN1CCc2c(sc(N=Cc3nc4ccccc4[nH]3)c2C(N)=O)C1 ZINC000252680087 464988183 /nfs/dbraw/zinc/98/81/83/464988183.db2.gz VRBGRBHWBBVTDH-UHFFFAOYSA-N 0 0 339.424 2.462 50 30 EEEARN C=CCOc1cccc(NC(=O)N(C)C2CCS(=O)(=O)CC2)c1 ZINC000299764774 465883389 /nfs/dbraw/zinc/88/33/89/465883389.db2.gz LEPIQNFRFDCGTN-UHFFFAOYSA-N 0 0 338.429 2.292 50 30 EEEARN C#CCOC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1OC ZINC000036102749 518305958 /nfs/dbraw/zinc/30/59/58/518305958.db2.gz OMHDLFRWYSIXKT-KRWDZBQOSA-N 0 0 329.396 2.301 50 30 EEEARN C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002055067 518889050 /nfs/dbraw/zinc/88/90/50/518889050.db2.gz DZJPXVALJSSBHR-UHFFFAOYSA-N 0 0 344.436 2.180 50 30 EEEARN COc1cc(/C=C\C(=O)OCC(=O)NC(C)(C)C)ccc1OCC#N ZINC000006459261 521978706 /nfs/dbraw/zinc/97/87/06/521978706.db2.gz QQHFIXCIVJJZCX-VURMDHGXSA-N 0 0 346.383 2.069 50 30 EEEARN O=[N+]([O-])[C@@H](/C=N\OCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005518370 527318547 /nfs/dbraw/zinc/31/85/47/527318547.db2.gz HOFTUJQQLFXKHG-DFSFMLJYSA-N 0 0 334.353 2.266 50 30 EEEARN CN1CCN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)C[C@@H]1CCO ZINC000426628347 536407447 /nfs/dbraw/zinc/40/74/47/536407447.db2.gz VZLBKAJIPBPOHH-FQEVSTJZSA-N 0 0 349.434 2.364 50 30 EEEARN Cc1csc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 ZINC000206601299 564003767 /nfs/dbraw/zinc/00/37/67/564003767.db2.gz ZPLWPAZAJXKPBC-UHFFFAOYSA-N 0 0 341.440 2.365 50 30 EEEARN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000104308400 1204622511 /nfs/dbraw/zinc/62/25/11/1204622511.db2.gz MTCKYHLINYKZGE-SDXDJHTJSA-N 0 0 347.396 2.345 50 30 EEEARN O=C1Oc2ccccc2C(=O)C1=CN[C@@H]1CCc2ccccc2NC1=O ZINC000828320609 1204932938 /nfs/dbraw/zinc/93/29/38/1204932938.db2.gz UTBVDRVTKTUMLA-WSYSLRRZSA-N 0 0 348.358 2.215 50 30 biogenic EEEARN CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@H](C3(O)CC3)C2)c1 ZINC001772814162 1410371640 /nfs/dbraw/zinc/37/16/40/1410371640.db2.gz MIKIOWOCQCQDNO-KRWDZBQOSA-N 0 0 327.424 2.186 50 30 EEEARN Cc1nn(CCO)cc1-c1c2c(nc(N)c1C#N)-c1ccccc1C2 ZINC000067587142 215165251 /nfs/dbraw/zinc/16/52/51/215165251.db2.gz LIDWGIRQEDAWKA-UHFFFAOYSA-N 0 0 331.379 2.271 50 30 EEEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1ccncc1C)C2 ZINC000067677385 215182181 /nfs/dbraw/zinc/18/21/81/215182181.db2.gz UFCCIPYFTYNWMR-OAHLLOKOSA-N 0 0 340.427 2.460 50 30 EEEARN COC(=O)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000001443351 209750277 /nfs/dbraw/zinc/75/02/77/209750277.db2.gz QPDBPATWMFESGD-CYBMUJFWSA-N 0 0 343.360 2.401 50 30 EEEARN C=CCn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(CC)c1=O ZINC000035526711 213035649 /nfs/dbraw/zinc/03/56/49/213035649.db2.gz HFIXTEGOMMGIGD-UHFFFAOYSA-N 0 0 342.786 2.480 50 30 EEEARN COc1cccc(C[C@@H]2CN(c3ccnc(OC)c3C#N)CCO2)c1 ZINC000071748599 215804975 /nfs/dbraw/zinc/80/49/75/215804975.db2.gz ULLYKXNWZURNRW-MRXNPFEDSA-N 0 0 339.395 2.418 50 30 EEEARN C#CCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1OCCc2ccccc21 ZINC000072230271 216070638 /nfs/dbraw/zinc/07/06/38/216070638.db2.gz MNFVRDUYUAYVNU-RTBURBONSA-N 0 0 326.440 2.247 50 30 EEEARN N#Cc1ccsc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000022367735 212293764 /nfs/dbraw/zinc/29/37/64/212293764.db2.gz VXAASSCRHUVWAJ-UHFFFAOYSA-N 0 0 329.168 2.122 50 30 EEEARN N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)nc1 ZINC000215472133 241127763 /nfs/dbraw/zinc/12/77/63/241127763.db2.gz CEIOTHAJBXAVKI-GOSISDBHSA-N 0 0 332.407 2.332 50 30 EEEARN C=CCN1C(=O)[C@](NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1 ZINC000020572717 212149198 /nfs/dbraw/zinc/14/91/98/212149198.db2.gz UZENRILKORNWJA-OAHLLOKOSA-N 0 0 339.317 2.246 50 30 EEEARN C=CCOc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 ZINC000020358244 212122370 /nfs/dbraw/zinc/12/23/70/212122370.db2.gz ZIECMXUXRWOXML-SSZFMOIBSA-N 0 0 343.452 2.469 50 30 EEEARN C[C@@H](c1ccccc1)N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N ZINC000011904244 211266827 /nfs/dbraw/zinc/26/68/27/211266827.db2.gz ULBVILPRMQFVRX-LBPRGKRZSA-N 0 0 346.390 2.196 50 30 EEEARN N#Cc1ccc(OCCN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 ZINC000008890398 211015746 /nfs/dbraw/zinc/01/57/46/211015746.db2.gz SAZFWLUWRXTANA-FQEVSTJZSA-N 0 0 347.374 2.331 50 30 EEEARN O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000001795820 285021992 /nfs/dbraw/zinc/02/19/92/285021992.db2.gz SHUIEGDCKIKBEQ-UHFFFAOYSA-N 0 0 337.740 2.257 50 30 EEEARN CC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005009252 210360404 /nfs/dbraw/zinc/36/04/04/210360404.db2.gz RUXXQIBDNAVHAR-UHFFFAOYSA-N 0 0 332.363 2.482 50 30 EEEARN C=CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000004840656 210294411 /nfs/dbraw/zinc/29/44/11/210294411.db2.gz OHVAUKZQTXJQMP-UHFFFAOYSA-N 0 0 336.457 2.476 50 30 EEEARN N#Cc1cc(S(=O)(=O)N2CCOc3ccc(F)cc32)ccc1F ZINC000123954901 257971797 /nfs/dbraw/zinc/97/17/97/257971797.db2.gz ZIVKHCXBONLNAH-UHFFFAOYSA-N 0 0 336.319 2.424 50 30 EEEARN N#CC1(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000035361672 132388908 /nfs/dbraw/zinc/38/89/08/132388908.db2.gz YAPPGKWYSXJMNY-UHFFFAOYSA-N 0 0 344.434 2.290 50 30 EEEARN N#Cc1ccccc1N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000066104871 269975437 /nfs/dbraw/zinc/97/54/37/269975437.db2.gz LTPGKAICNBCBPT-UHFFFAOYSA-N 0 0 335.407 2.424 50 30 in-vitro EEEARN C=CCN1c2ccc(NS(=O)(=O)CC)cc2OCC(C)(C)C1=O ZINC000009166833 277862125 /nfs/dbraw/zinc/86/21/25/277862125.db2.gz QWDJVHMASQOHML-UHFFFAOYSA-N 0 0 338.429 2.386 50 30 EEEARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1cccc(Cl)c1 ZINC000000424145 462561682 /nfs/dbraw/zinc/56/16/82/462561682.db2.gz SATCKBIDTXUGQJ-UHFFFAOYSA-N 0 0 343.770 2.500 50 30 EEEARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000000514531 462568099 /nfs/dbraw/zinc/56/80/99/462568099.db2.gz RTLFZKJIENRCII-UHFFFAOYSA-N 0 0 343.408 2.126 50 30 EEEARN C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002059281 462588981 /nfs/dbraw/zinc/58/89/81/462588981.db2.gz AIYOVQQKAJQHLP-CQSZACIVSA-N 0 0 331.328 2.294 50 30 EEEARN CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000002622650 462596370 /nfs/dbraw/zinc/59/63/70/462596370.db2.gz CBYMIVUIECBLIP-GOSISDBHSA-N 0 0 342.399 2.243 50 30 EEEARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O ZINC000002621233 462597281 /nfs/dbraw/zinc/59/72/81/462597281.db2.gz RDYAQVIYKAYIKT-UHFFFAOYSA-N 0 0 342.399 2.388 50 30 EEEARN Cc1nn(-c2ccccc2)c(C)c1CN=Nc1ccc2nncn2n1 ZINC000002685608 462599847 /nfs/dbraw/zinc/59/98/47/462599847.db2.gz WGMHLFOXTKWHHP-VCHYOVAHSA-N 0 0 332.371 2.373 50 30 EEEARN COc1ccccc1C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000003244944 462613686 /nfs/dbraw/zinc/61/36/86/462613686.db2.gz HQDVFGWMZIYXJF-UHFFFAOYSA-N 0 0 325.320 2.372 50 30 EEEARN CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cccnc1 ZINC000005091690 462645326 /nfs/dbraw/zinc/64/53/26/462645326.db2.gz URQRCYXRHPIACU-LLVKDONJSA-N 0 0 328.397 2.245 50 30 EEEARN COC(=O)C1=CN(c2cccc(C#N)c2)c2ccccc2S1(=O)=O ZINC000064979288 462731005 /nfs/dbraw/zinc/73/10/05/462731005.db2.gz JGYVSTCTCRVNIK-UHFFFAOYSA-N 0 0 340.360 2.498 50 30 EEEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)C1CC1 ZINC000008355472 462781135 /nfs/dbraw/zinc/78/11/35/462781135.db2.gz ANWDPTZWQVGUPG-UHFFFAOYSA-N 0 0 335.429 2.286 50 30 EEEARN Cc1cn2cc(CNC(=O)c3ccc(C#CC(C)(C)O)o3)nc2s1 ZINC000065492338 462781133 /nfs/dbraw/zinc/78/11/33/462781133.db2.gz IZBNXGYQMZQVHG-UHFFFAOYSA-N 0 0 343.408 2.350 50 30 EEEARN COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cc(OC)ccc1OC ZINC000013464858 462892986 /nfs/dbraw/zinc/89/29/86/462892986.db2.gz RSMYTSSHYREYHL-INIZCTEOSA-N 0 0 349.383 2.025 50 30 EEEARN CC(=O)C(=CNc1ncccn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013466033 462894310 /nfs/dbraw/zinc/89/43/10/462894310.db2.gz BNBWBMJLLNDWFK-LCYFTJDESA-N 0 0 337.788 2.446 50 30 EEEARN CCCN1C(C(C)=O)=C(OC(=O)CC)c2ccccc2S1(=O)=O ZINC000015669415 462958838 /nfs/dbraw/zinc/95/88/38/462958838.db2.gz DPTIZJZTPWUTEU-UHFFFAOYSA-N 0 0 337.397 2.312 50 30 EEEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 ZINC000016701375 462989042 /nfs/dbraw/zinc/98/90/42/462989042.db2.gz HSJMOXVYDYWJGK-AQTBWJFISA-N 0 0 346.408 2.469 50 30 EEEARN C=CCN1C(=O)C(=Cc2cc(C)n(CCOC)c2C)C(=O)NC1=S ZINC000017208322 462997376 /nfs/dbraw/zinc/99/73/76/462997376.db2.gz UGKHROOPTYBWEM-UVTDQMKNSA-N 0 0 347.440 2.404 50 30 EEEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000018260324 463011001 /nfs/dbraw/zinc/01/10/01/463011001.db2.gz VDYNMEMCBUOHEU-LBPRGKRZSA-N 0 0 328.372 2.323 50 30 EEEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCOCC2)c1C#N ZINC000023995613 463075883 /nfs/dbraw/zinc/07/58/83/463075883.db2.gz LJIAPJKUQJUAOK-UHFFFAOYSA-N 0 0 330.432 2.362 50 30 EEEARN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccco1 ZINC000025119325 463110859 /nfs/dbraw/zinc/11/08/59/463110859.db2.gz YNVXMEBZUGWIEM-MRXNPFEDSA-N 0 0 337.379 2.414 50 30 EEEARN Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)on1 ZINC000028623493 463228913 /nfs/dbraw/zinc/22/89/13/463228913.db2.gz YHMPKOJDNYMZAQ-UHFFFAOYSA-N 0 0 327.344 2.085 50 30 EEEARN Cc1sc2[nH]c([C@@H](C#N)C(=O)NCc3ccco3)nc(=O)c2c1C ZINC000122064646 463236675 /nfs/dbraw/zinc/23/66/75/463236675.db2.gz LPGNXXLNTKOIGI-LLVKDONJSA-N 0 0 342.380 2.118 50 30 EEEARN N#CCCn1ncc2c1ncnc2NC[C@@H]1COc2ccccc2C1 ZINC000097199904 463344284 /nfs/dbraw/zinc/34/42/84/463344284.db2.gz GECGETIMOPQVFC-CYBMUJFWSA-N 0 0 334.383 2.403 50 30 EEEARN O=C1C=C(NCCNc2c(F)c(F)c(CO)c(F)c2F)CCC1 ZINC000100556712 463373806 /nfs/dbraw/zinc/37/38/06/463373806.db2.gz NGFGLYDPEQFTEG-UHFFFAOYSA-N 0 0 332.297 2.374 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)c1 ZINC000033027376 463408365 /nfs/dbraw/zinc/40/83/65/463408365.db2.gz HNIVVIJDIJACLX-UHFFFAOYSA-N 0 0 333.351 2.057 50 30 EEEARN C=CCn1c(=O)c2c(ncn2CC(C)C)n(-c2ccccc2C)c1=O ZINC000034694688 463428505 /nfs/dbraw/zinc/42/85/05/463428505.db2.gz SHJKRCJQNFGXDJ-UHFFFAOYSA-N 0 0 338.411 2.499 50 30 EEEARN COCCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)c(C)c1 ZINC000299782227 465885606 /nfs/dbraw/zinc/88/56/06/465885606.db2.gz SKOXMPXQWRPEPM-CQSZACIVSA-N 0 0 344.415 2.139 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(NC2CC2)s1 ZINC000007577533 519829010 /nfs/dbraw/zinc/82/90/10/519829010.db2.gz MDOHXJXYXFWMSG-ZDUSSCGKSA-N 0 0 325.463 2.259 50 30 EEEARN CCOc1ccc(CN=Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000004837215 520854411 /nfs/dbraw/zinc/85/44/11/520854411.db2.gz ILDQEXUKJZZGII-CPNJWEJPSA-N 0 0 341.415 2.466 50 30 EEEARN CCOc1ccc(C(=O)ONC(=N)c2ccncc2)cc1OCC ZINC000005013459 520920609 /nfs/dbraw/zinc/92/06/09/520920609.db2.gz KBOLQLADCHOKPQ-UHFFFAOYSA-N 0 0 329.356 2.356 50 30 EEEARN COc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(C)cc1 ZINC000001436932 522011440 /nfs/dbraw/zinc/01/14/40/522011440.db2.gz BBPYNUSXFTYMNM-GRSHGNNSSA-N 0 0 338.371 2.034 50 30 EEEARN O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000000428594 527291172 /nfs/dbraw/zinc/29/11/72/527291172.db2.gz NKZWMXVJVVQCTN-UHFFFAOYSA-N 0 0 349.412 2.232 50 30 EEEARN CCCNC(=O)c1c(/N=C/c2ccc(OC)cc2OC)cnn1C ZINC000002797950 528442810 /nfs/dbraw/zinc/44/28/10/528442810.db2.gz VIYLCVOHVRFRRS-VXLYETTFSA-N 0 0 330.388 2.328 50 30 EEEARN CCNC(=O)c1cccnc1N1CCN(c2ccccc2C#N)CC1 ZINC000032523794 792864361 /nfs/dbraw/zinc/86/43/61/792864361.db2.gz SWOMVRYCFVXEJB-UHFFFAOYSA-N 0 0 335.411 2.030 50 30 EEEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CN1C(=O)CNC1=O ZINC000055211567 214289369 /nfs/dbraw/zinc/28/93/69/214289369.db2.gz ZBFDOBDBSJQELN-CVEARBPZSA-N 0 0 339.395 2.013 50 30 EEEARN CCOc1ccc(C2=C(C(C)=O)Sc3nncn3N2C(C)=O)cc1 ZINC000004518287 210212611 /nfs/dbraw/zinc/21/26/11/210212611.db2.gz GGHQJNNRQSBCBI-UHFFFAOYSA-N 0 0 344.396 2.225 50 30 EEEARN N#Cc1cnc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000129167971 223028901 /nfs/dbraw/zinc/02/89/01/223028901.db2.gz OVTYTRIBYVRPTO-CYBMUJFWSA-N 0 0 331.738 2.358 50 30 EEEARN COc1ccc(OC)c([C@H]2C3C(=O)CCCC3=Nc3ncnn32)c1 ZINC000000067014 209398427 /nfs/dbraw/zinc/39/84/27/209398427.db2.gz OZVIGXKOKGWXNH-INIZCTEOSA-N 0 0 326.356 2.317 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021784909 212249960 /nfs/dbraw/zinc/24/99/60/212249960.db2.gz KJNGPVOZSDKCRR-SNVBAGLBSA-N 0 0 347.346 2.248 50 30 EEEARN C=CCN(Cc1cccs1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000110624840 220049280 /nfs/dbraw/zinc/04/92/80/220049280.db2.gz GBLCBJQFKGXBHW-QWHCGFSZSA-N 0 0 330.475 2.090 50 30 EEEARN C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cs1 ZINC000014253103 211725092 /nfs/dbraw/zinc/72/50/92/211725092.db2.gz CTIOXRBXSIEBDN-SECBINFHSA-N 0 0 336.373 2.221 50 30 EEEARN N#Cc1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1=O ZINC000091575092 218023801 /nfs/dbraw/zinc/02/38/01/218023801.db2.gz HEJDFXRCAGOZLV-UHFFFAOYSA-N 0 0 349.350 2.050 50 30 EEEARN CCN1CC2(CCC1=O)CCN(c1ccnc(OC)c1C#N)CC2 ZINC000091626037 218034806 /nfs/dbraw/zinc/03/48/06/218034806.db2.gz UUDGZQQACQYHQV-UHFFFAOYSA-N 0 0 328.416 2.191 50 30 EEEARN N#Cc1cccc(C2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)c1 ZINC000091656318 218041493 /nfs/dbraw/zinc/04/14/93/218041493.db2.gz JPHDSBHFCZOKTB-KRWDZBQOSA-N 0 0 337.423 2.275 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)c2cc3c(n(C)c2=O)CCCC3)C1 ZINC000091986719 218099644 /nfs/dbraw/zinc/09/96/44/218099644.db2.gz MBQANZVLMGSADB-FQEVSTJZSA-N 0 0 344.455 2.055 50 30 EEEARN COC(=O)c1cc(NC(=O)C#Cc2ccccc2)cc(C(=O)OC)c1 ZINC000006725827 210692413 /nfs/dbraw/zinc/69/24/13/210692413.db2.gz MUDAROPFUMXUBK-UHFFFAOYSA-N 0 0 337.331 2.250 50 30 EEEARN O=C1c2ccccc2C2=Nc3nnnn3[C@H](c3ccc4c(c3)OCO4)C12 ZINC000018196120 285023366 /nfs/dbraw/zinc/02/33/66/285023366.db2.gz HEEIQLYVENBDAZ-MRXNPFEDSA-N 0 0 345.318 2.024 50 30 EEEARN C=CCN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O ZINC000005068272 210381365 /nfs/dbraw/zinc/38/13/65/210381365.db2.gz PWOHGIRYYNKQLG-UHFFFAOYSA-N 0 0 334.397 2.162 50 30 EEEARN Cc1ccc(CC(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)cc1 ZINC000082107571 132818611 /nfs/dbraw/zinc/81/86/11/132818611.db2.gz NBLQJKGZZGEEQI-UHFFFAOYSA-N 0 0 333.391 2.285 50 30 EEEARN Cc1nnc(N2CCC[C@@H](c3nnc4ccccn43)C2)c(C#N)c1C ZINC000024055186 135731157 /nfs/dbraw/zinc/73/11/57/135731157.db2.gz ORXDJLMIBBTJCB-CQSZACIVSA-N 0 0 333.399 2.392 50 30 EEEARN CC1(C)Cc2c(C#N)c(NC(=O)C(=O)N3CCCC3)sc2CO1 ZINC000006669924 275871135 /nfs/dbraw/zinc/87/11/35/275871135.db2.gz YCPSZXHHJBYMMB-UHFFFAOYSA-N 0 0 333.413 2.032 50 30 EEEARN CN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1 ZINC000023608088 277188650 /nfs/dbraw/zinc/18/86/50/277188650.db2.gz GOCLQSRVVHWQBF-UHFFFAOYSA-N 0 0 328.397 2.020 50 30 EEEARN CCn1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1 ZINC000005728195 288704833 /nfs/dbraw/zinc/70/48/33/288704833.db2.gz MLNPGAFNRQNWKQ-MRXNPFEDSA-N 0 0 329.400 2.352 50 30 EEEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(N(C)C)cc2)C1=O ZINC000000135004 462543391 /nfs/dbraw/zinc/54/33/91/462543391.db2.gz JKKVVFMPJRZDMD-NRFANRHFSA-N 0 0 348.402 2.193 50 30 EEEARN COc1ccc(C(=O)O/N=C2/c3ccccc3N(C)C2=O)cc1OC ZINC000000208816 462548007 /nfs/dbraw/zinc/54/80/07/462548007.db2.gz ACHFOCGLAZZWOA-MNDPQUGUSA-N 0 0 340.335 2.241 50 30 EEEARN COc1cc([C@@H]2CC(=O)CC(=O)[C@@H]2n2cncn2)cc(OC)c1OC ZINC000001390422 462581771 /nfs/dbraw/zinc/58/17/71/462581771.db2.gz JPWCYIYURVIJFX-BLLLJJGKSA-N 0 0 345.355 2.044 50 30 EEEARN C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002089273 462589419 /nfs/dbraw/zinc/58/94/19/462589419.db2.gz LANTVZXHKTYDCI-UHFFFAOYSA-N 0 0 342.848 2.043 50 30 EEEARN CCC(=O)N=C(NC(=O)CC)Nc1nc(C)c2ccc(OC)cc2n1 ZINC000002311319 462591620 /nfs/dbraw/zinc/59/16/20/462591620.db2.gz UIHMAHKSLRGUPT-UHFFFAOYSA-N 0 0 343.387 2.178 50 30 EEEARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C#N)c1 ZINC000003219213 462612299 /nfs/dbraw/zinc/61/22/99/462612299.db2.gz OYQHRLKPLHAXPT-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000003285594 462614716 /nfs/dbraw/zinc/61/47/16/462614716.db2.gz UXWRQRZHAFYQBG-UHFFFAOYSA-N 0 0 344.392 2.166 50 30 EEEARN CCOC(=O)NC(=O)CSc1nc2ccccc2n1CCC#N ZINC000003279193 462615138 /nfs/dbraw/zinc/61/51/38/462615138.db2.gz PNVDDIVVTZGOPL-UHFFFAOYSA-N 0 0 332.385 2.315 50 30 EEEARN Cc1cc([O-])c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(=O)o1 ZINC000004817197 462638483 /nfs/dbraw/zinc/63/84/83/462638483.db2.gz FOTIPHOANGGJAC-QPJJXVBHSA-N 0 0 341.363 2.387 50 30 EEEARN CCCc1n[nH]cc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000128955317 462682419 /nfs/dbraw/zinc/68/24/19/462682419.db2.gz LJSLKXJILMVNID-UHFFFAOYSA-N 0 0 341.390 2.335 50 30 EEEARN C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000006905130 462711984 /nfs/dbraw/zinc/71/19/84/462711984.db2.gz OUXYHSJTTIYQJZ-GFCCVEGCSA-N 0 0 346.368 2.447 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000007384828 462732554 /nfs/dbraw/zinc/73/25/54/462732554.db2.gz JZYZURCGFMWNPD-QGZVFWFLSA-N 0 0 344.440 2.001 50 30 EEEARN Cc1nnc(N2CC[C@@H](CNc3ccc(C#N)cn3)C2)c(C#N)c1C ZINC000065496654 462781936 /nfs/dbraw/zinc/78/19/36/462781936.db2.gz WWKKBOOHVBSWOH-HNNXBMFYSA-N 0 0 333.399 2.170 50 30 EEEARN CCOc1nnc(CN2CC[C@H](CNc3ncccc3C#N)C2)s1 ZINC000065517669 462786707 /nfs/dbraw/zinc/78/67/07/462786707.db2.gz WNKFVIFRSUSQFW-GFCCVEGCSA-N 0 0 344.444 2.137 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(OCCOc2ccc(C#N)cc2)cc1 ZINC000008745848 462794242 /nfs/dbraw/zinc/79/42/42/462794242.db2.gz WEMSXRXKDICOID-UHFFFAOYSA-N 0 0 346.408 2.266 50 30 EEEARN Cc1ccc(C(=O)NCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 ZINC000008746669 462794570 /nfs/dbraw/zinc/79/45/70/462794570.db2.gz SACZXBJQZVXEBK-OAHLLOKOSA-N 0 0 346.390 2.488 50 30 EEEARN COc1cccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c1 ZINC000012860889 462872122 /nfs/dbraw/zinc/87/21/22/462872122.db2.gz QMSJLOZIQQEUJE-PXNMLYILSA-N 0 0 325.320 2.176 50 30 biogenic EEEARN C=C(C)CNC(=S)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012859961 462872664 /nfs/dbraw/zinc/87/26/64/462872664.db2.gz MDPMMRZVZUDMRR-MRXNPFEDSA-N 0 0 337.464 2.239 50 30 EEEARN Cc1ccccc1NC(=O)Cc1nc(Cn2cnc(C#N)n2)cs1 ZINC000014143618 462913361 /nfs/dbraw/zinc/91/33/61/462913361.db2.gz CKHMUZOVCDKSQI-UHFFFAOYSA-N 0 0 338.396 2.144 50 30 EEEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197242 462944446 /nfs/dbraw/zinc/94/44/46/462944446.db2.gz OYUXZHYXCFLNIY-GFCCVEGCSA-N 0 0 328.393 2.453 50 30 EEEARN N#Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000016043906 462968919 /nfs/dbraw/zinc/96/89/19/462968919.db2.gz CQOIPNYHXFJQOD-HUUCEWRRSA-N 0 0 325.368 2.062 50 30 EEEARN C=CCN1C[C@H](C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)CC1=O ZINC000067434013 463005111 /nfs/dbraw/zinc/00/51/11/463005111.db2.gz PSZLMUVXLSGKLU-OAHLLOKOSA-N 0 0 344.459 2.274 50 30 EEEARN CC(=O)c1ccc(NCCCc2[nH]nc(N)c2C#N)c([N+](=O)[O-])c1 ZINC000025370135 463121575 /nfs/dbraw/zinc/12/15/75/463121575.db2.gz WYFWZATVLIMHOW-UHFFFAOYSA-N 0 0 328.332 2.019 50 30 EEEARN N#C[C@H](C(=O)Nc1ncccn1)C(=O)c1csc2c1CCCC2 ZINC000101878772 463382403 /nfs/dbraw/zinc/38/24/03/463382403.db2.gz NAHKSOFBKGQKNI-NSHDSACASA-N 0 0 326.381 2.378 50 30 EEEARN Cc1nc2n(n1)[C@H](c1ccc3c(c1)OCCO3)C1C(=O)CCCC1=N2 ZINC000072471333 463510976 /nfs/dbraw/zinc/51/09/76/463510976.db2.gz ZXBUCJBUMKMSOY-QGZVFWFLSA-N 0 0 338.367 2.380 50 30 EEEARN CCc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 ZINC000220065716 464113634 /nfs/dbraw/zinc/11/36/34/464113634.db2.gz GICATUGFJNAEJJ-GDBMZVCRSA-N 0 0 341.367 2.075 50 30 EEEARN COc1ccccc1NN=C(C(N)=S)C(=O)Nc1ccccc1 ZINC000254700314 465019373 /nfs/dbraw/zinc/01/93/73/465019373.db2.gz AEJQAPDRTZBSRY-UHFFFAOYSA-N 0 0 328.397 2.388 50 30 EEEARN COc1cc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000004185291 521984688 /nfs/dbraw/zinc/98/46/88/521984688.db2.gz DNUQQMSIHXYCLP-LDADJPATSA-N 0 0 348.424 2.107 50 30 EEEARN COc1ccc(CN2CCN(C[C@H](C#N)CCC#N)CC2)cc1F ZINC000025232574 524032158 /nfs/dbraw/zinc/03/21/58/524032158.db2.gz GUWPNLYTSVABPA-INIZCTEOSA-N 0 0 330.407 2.395 50 30 EEEARN C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]1(CCCC(C)(C)[C@H]1C=O)COC3=O ZINC001772820448 1277890723 /nfs/dbraw/zinc/89/07/23/1277890723.db2.gz KIJKAQHLSSAHOL-RXZJUDABSA-N 0 0 346.423 2.067 50 30 EEEARN CN(C)[C@@H](CNC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccco1 ZINC000952972091 796112002 /nfs/dbraw/zinc/11/20/02/796112002.db2.gz ZHJWVOQGDDHZAJ-AWEZNQCLSA-N 0 0 330.384 2.028 50 30 EEEARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000827801463 800512402 /nfs/dbraw/zinc/51/24/02/800512402.db2.gz HIKBMKVUJFONIK-NVXWUHKLSA-N 0 0 338.407 2.130 50 30 EEEARN CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/NC(N)=S ZINC000100090827 219090930 /nfs/dbraw/zinc/09/09/30/219090930.db2.gz VWTDJGNKIOMUJT-HKWRFOASSA-N 0 0 340.408 2.133 50 30 EEEARN CC(=O)NCCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000100828020 219108145 /nfs/dbraw/zinc/10/81/45/219108145.db2.gz ITLZYNNJLDVWCV-JTQLQIEISA-N 0 0 342.182 2.167 50 30 EEEARN COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1 ZINC000004260833 210154574 /nfs/dbraw/zinc/15/45/74/210154574.db2.gz FIBMEBJOBGQTJW-VCHYOVAHSA-N 0 0 329.381 2.082 50 30 EEEARN CN1C[C@@]2(CCCN(C(=O)c3cc(F)cc(C#N)c3)CC2)OC1=O ZINC000072140367 216026471 /nfs/dbraw/zinc/02/64/71/216026471.db2.gz QJLNATMVMHOGSK-KRWDZBQOSA-N 0 0 331.347 2.144 50 30 EEEARN C=CCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(C)cc1 ZINC000000326213 209537365 /nfs/dbraw/zinc/53/73/65/209537365.db2.gz WXMHBJMDNLZCNA-UHFFFAOYSA-N 0 0 349.412 2.107 50 30 EEEARN C=CCN1c2ccccc2S/C(=C/C(=O)N[C@@H](C)COC)C1=O ZINC000037291449 213139324 /nfs/dbraw/zinc/13/93/24/213139324.db2.gz UXRRNOVXJICLGD-XBUHWIKASA-N 0 0 332.425 2.346 50 30 EEEARN Cc1cc(N(C)CC(=O)NC2CC2)n2c3ccccc3nc2c1C#N ZINC000025251884 212468488 /nfs/dbraw/zinc/46/84/88/212468488.db2.gz KWBQPWJSVUXMKG-UHFFFAOYSA-N 0 0 333.395 2.382 50 30 EEEARN N#Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000023596698 212384070 /nfs/dbraw/zinc/38/40/70/212384070.db2.gz ZWMNXFUUBLPKEY-MRXNPFEDSA-N 0 0 341.436 2.423 50 30 EEEARN CC1(C)CC(=O)C=C(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)O1 ZINC000023619591 212386552 /nfs/dbraw/zinc/38/65/52/212386552.db2.gz JVMJCAXOXBBJEP-LLVKDONJSA-N 0 0 348.424 2.162 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1F)CC(=O)N2 ZINC000021784887 212250559 /nfs/dbraw/zinc/25/05/59/212250559.db2.gz XROWQQSQLAFLJO-SECBINFHSA-N 0 0 347.346 2.248 50 30 EEEARN O=C(/C=C/NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F ZINC000012523847 211397628 /nfs/dbraw/zinc/39/76/28/211397628.db2.gz OCBPERLPGGXJSS-VBROQKIQSA-N 0 0 346.324 2.434 50 30 EEEARN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1 ZINC000009470122 211088075 /nfs/dbraw/zinc/08/80/75/211088075.db2.gz MCWVJWCYPRLVTN-UHFFFAOYSA-N 0 0 331.397 2.107 50 30 EEEARN O=C1c2ccccc2C2=C1[C@@H](c1cccs1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000000316724 285023676 /nfs/dbraw/zinc/02/36/76/285023676.db2.gz OLRYYCSNJGWOSC-LLVKDONJSA-N 0 0 349.371 2.290 50 30 EEEARN C=CCN1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000009306515 258017737 /nfs/dbraw/zinc/01/77/37/258017737.db2.gz NBJYMRWDIZKRDC-ZIAGYGMSSA-N 0 0 340.445 2.082 50 30 EEEARN Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC000299786099 258093139 /nfs/dbraw/zinc/09/31/39/258093139.db2.gz IUUYSDKTVUATSI-SECBINFHSA-N 0 0 339.321 2.476 50 30 EEEARN COC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(O)cc1 ZINC000044890055 292031452 /nfs/dbraw/zinc/03/14/52/292031452.db2.gz SVWNVDCHKYYAJL-INIZCTEOSA-N 0 0 339.351 2.397 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)[C@H]3CCCO3)sc2C1 ZINC000003362600 269891094 /nfs/dbraw/zinc/89/10/94/269891094.db2.gz QZXQVRLOCPOAQL-GXFFZTMASA-N 0 0 348.424 2.405 50 30 EEEARN Cc1c(N=C2NC(=N)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000003209769 280197839 /nfs/dbraw/zinc/19/78/39/280197839.db2.gz PENSLHPTRBJZHS-UHFFFAOYSA-N 0 0 331.379 2.282 50 30 EEEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1O ZINC000044921590 462541244 /nfs/dbraw/zinc/54/12/44/462541244.db2.gz BRMFHTSMZOTDRN-QGZVFWFLSA-N 0 0 336.351 2.491 50 30 EEEARN S=C(NN=Cc1n[nH]cc1Br)NC1CCCCC1 ZINC000000078360 462541393 /nfs/dbraw/zinc/54/13/93/462541393.db2.gz FZXHKQVGPTZXFE-VGOFMYFVSA-N 0 0 330.255 2.303 50 30 EEEARN CN(C)c1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000084562 462541474 /nfs/dbraw/zinc/54/14/74/462541474.db2.gz TZEJUXVSLJJQGJ-LDADJPATSA-N 0 0 342.424 2.167 50 30 EEEARN CCOC(=O)NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000195626 462546423 /nfs/dbraw/zinc/54/64/23/462546423.db2.gz SZTUOCWDJQXLRA-UHFFFAOYSA-N 0 0 334.401 2.148 50 30 EEEARN CC(C)[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)C(=O)N1CCOCC1 ZINC000127580035 462566011 /nfs/dbraw/zinc/56/60/11/462566011.db2.gz JRRLPSRQBLHHEB-FDYSRKEFSA-N 0 0 341.455 2.083 50 30 EEEARN C=C(C)CN(CC)C(=O)CCCn1nnnc1CN1CCC(C)CC1 ZINC000011934267 462841041 /nfs/dbraw/zinc/84/10/41/462841041.db2.gz ABTSXQVZFVUAKI-UHFFFAOYSA-N 0 0 348.495 2.110 50 30 EEEARN CC(C)c1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 ZINC000013689300 462899571 /nfs/dbraw/zinc/89/95/71/462899571.db2.gz DNGHJZQOMAGPHT-UHFFFAOYSA-N 0 0 343.427 2.193 50 30 EEEARN CCC(=O)N=C(NC(=O)CC)Nc1nc2ccc(C)cc2c(OC)n1 ZINC000015684665 462959974 /nfs/dbraw/zinc/95/99/74/462959974.db2.gz KQSOXBCFRORILN-UHFFFAOYSA-N 0 0 343.387 2.178 50 30 EEEARN COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(N)=O)cc1 ZINC000024790528 463099243 /nfs/dbraw/zinc/09/92/43/463099243.db2.gz VNULGHPUZIWEIF-UHFFFAOYSA-N 0 0 325.324 2.319 50 30 EEEARN CN(Cc1cccc(C#N)c1)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000025105342 463109602 /nfs/dbraw/zinc/10/96/02/463109602.db2.gz PNCYSDZVCCLBSO-UHFFFAOYSA-N 0 0 349.312 2.397 50 30 EEEARN CCOC(=O)N1CCC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000025105784 463109831 /nfs/dbraw/zinc/10/98/31/463109831.db2.gz WQBZPRHGMUTFTK-INIZCTEOSA-N 0 0 329.400 2.385 50 30 EEEARN Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1 ZINC000032578339 463381759 /nfs/dbraw/zinc/38/17/59/463381759.db2.gz FCBLLKHQWIKTHW-MFOYZWKCSA-N 0 0 332.381 2.345 50 30 EEEARN CCN(CC)C(=O)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000032925700 463403520 /nfs/dbraw/zinc/40/35/20/463403520.db2.gz GSLTXINPRAJQMB-GFCCVEGCSA-N 0 0 342.399 2.237 50 30 EEEARN CCC(C)(C)NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C ZINC000104553798 463415844 /nfs/dbraw/zinc/41/58/44/463415844.db2.gz ATNLJQZHICNCIH-RIYZIHGNSA-N 0 0 326.462 2.323 50 30 EEEARN C[C@H](Cc1cnccc1NC(=O)OC(C)(C)C)OS(C)(=O)=O ZINC000034494680 463427240 /nfs/dbraw/zinc/42/72/40/463427240.db2.gz UCXDUHVRUDYMTP-SNVBAGLBSA-N 0 0 330.406 2.336 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cn1N ZINC000004251831 519829067 /nfs/dbraw/zinc/82/90/67/519829067.db2.gz QRPBZHBMUFBXKC-KRWDZBQOSA-N 0 0 343.456 2.410 50 30 EEEARN CCOC(=O)C(=NNc1ccccc1Cl)NC[C@H]1CCCO1 ZINC000003178871 1202512170 /nfs/dbraw/zinc/51/21/70/1202512170.db2.gz SFMPLSNCCXLXBZ-LLVKDONJSA-N 0 0 325.796 2.397 50 30 EEEARN COc1ccc(CCC(=O)[C@H](C#N)C(=O)N2CCCCC2)cc1OC ZINC000103502519 219307925 /nfs/dbraw/zinc/30/79/25/219307925.db2.gz FLADZFQKVPDLBP-HNNXBMFYSA-N 0 0 344.411 2.358 50 30 EEEARN O=C1c2ccccc2C(=O)C(NS(=O)(=O)c2ccccc2)=C1Cl ZINC000002238550 209834507 /nfs/dbraw/zinc/83/45/07/209834507.db2.gz SJRXNYPDZTYQGD-UHFFFAOYSA-N 0 0 347.779 2.495 50 30 EEEARN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000685939811 539988879 /nfs/dbraw/zinc/98/88/79/539988879.db2.gz JVVCYEDNVXMEBQ-INIZCTEOSA-N 0 0 340.431 2.049 50 30 EEEARN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCCC ZINC000037143320 213134204 /nfs/dbraw/zinc/13/42/04/213134204.db2.gz FAXPFZGKDQYFDU-GOSISDBHSA-N 0 0 328.368 2.105 50 30 EEEARN CCCc1noc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000029452379 212666593 /nfs/dbraw/zinc/66/65/93/212666593.db2.gz YTGPULCYMOABCC-ZDUSSCGKSA-N 0 0 326.404 2.172 50 30 EEEARN O=S(=O)(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000000071989 209402282 /nfs/dbraw/zinc/40/22/82/209402282.db2.gz BPIOJCNNAOQBHP-LZYBPNLTSA-N 0 0 338.772 2.381 50 30 EEEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)cc1OC ZINC000000067009 209398779 /nfs/dbraw/zinc/39/87/79/209398779.db2.gz MNBRPDIOSLUATF-MRXNPFEDSA-N 0 0 326.356 2.317 50 30 EEEARN COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000225494111 241897491 /nfs/dbraw/zinc/89/74/91/241897491.db2.gz IZLBDXMLQDJSOQ-OAHLLOKOSA-N 0 0 338.367 2.040 50 30 EEEARN N#Cc1ncn(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000014142971 211693958 /nfs/dbraw/zinc/69/39/58/211693958.db2.gz ZBSJXKGOFLJFTH-UHFFFAOYSA-N 0 0 333.351 2.367 50 30 EEEARN CN(C)c1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N ZINC000012421177 211374569 /nfs/dbraw/zinc/37/45/69/211374569.db2.gz NDKMZRYITVTHLR-UHFFFAOYSA-N 0 0 346.412 2.064 50 30 EEEARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1F ZINC000010810331 211189476 /nfs/dbraw/zinc/18/94/76/211189476.db2.gz UNFQFGUXQMYEQW-NSHDSACASA-N 0 0 345.399 2.296 50 30 EEEARN N#Cc1cccc(C2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)c1 ZINC000092062352 218111268 /nfs/dbraw/zinc/11/12/68/218111268.db2.gz MQGWHUUQOXCAKG-KRWDZBQOSA-N 0 0 340.427 2.055 50 30 EEEARN C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O ZINC000008940348 211020849 /nfs/dbraw/zinc/02/08/49/211020849.db2.gz ZYSHWUIFQWQGSC-ACJLOTCBSA-N 0 0 327.384 2.438 50 30 EEEARN C=CCNC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929293 218450162 /nfs/dbraw/zinc/45/01/62/218450162.db2.gz YSLLMIGIPFSWNW-GOSISDBHSA-N 0 0 348.406 2.312 50 30 EEEARN N#Cc1cccc(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)c1 ZINC000007158129 210763090 /nfs/dbraw/zinc/76/30/90/210763090.db2.gz AOMJOUXXPIOCMQ-UHFFFAOYSA-N 0 0 326.312 2.123 50 30 EEEARN C=CCN1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000012343747 258017423 /nfs/dbraw/zinc/01/74/23/258017423.db2.gz CHOSVFJKHYLIFY-UHFFFAOYSA-N 0 0 339.233 2.158 50 30 EEEARN CSc1cccc(NC(N=N)NS(=O)(=O)c2ccccc2)c1 ZINC000013466635 258056170 /nfs/dbraw/zinc/05/61/70/258056170.db2.gz DCLASPXQWRYGQK-UHFFFAOYSA-N 0 0 336.442 2.029 50 30 EEEARN Cc1ccccc1N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O ZINC000023125249 292630902 /nfs/dbraw/zinc/63/09/02/292630902.db2.gz HYMPCJUJTCNXPM-UHFFFAOYSA-N 0 0 343.408 2.271 50 30 EEEARN C=C(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000012815074 277777942 /nfs/dbraw/zinc/77/79/42/277777942.db2.gz JIZYCTREBHRGSG-LJQANCHMSA-N 0 0 342.395 2.493 50 30 EEEARN COc1cc(OC)c([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC ZINC000001431772 295008123 /nfs/dbraw/zinc/00/81/23/295008123.db2.gz VKBLFFCIGJYTJQ-LLVKDONJSA-N 0 0 331.368 2.323 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2cccc(C)c2C)c(=O)c1C#N ZINC000000810864 462573006 /nfs/dbraw/zinc/57/30/06/462573006.db2.gz PMVUYVYGGZJZJU-UHFFFAOYSA-N 0 0 339.395 2.430 50 30 EEEARN COc1cc(C#N)c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000001425567 462582759 /nfs/dbraw/zinc/58/27/59/462582759.db2.gz FCUHNMGEMCNHJX-STQMWFEESA-N 0 0 331.416 2.492 50 30 EEEARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000001428834 462582890 /nfs/dbraw/zinc/58/28/90/462582890.db2.gz HCUNSFQAJUFVPS-UHFFFAOYSA-N 0 0 331.357 2.160 50 30 EEEARN CCOC(=O)C1=C(N)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000005248497 462652618 /nfs/dbraw/zinc/65/26/18/462652618.db2.gz FWKXYLKTLDUTRM-AWEZNQCLSA-N 0 0 341.411 2.145 50 30 EEEARN C/N=C1/S/C(=C/C(=O)OC)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000005274639 462653276 /nfs/dbraw/zinc/65/32/76/462653276.db2.gz MKULSXGGKRFSKI-CFYUHYMKSA-N 0 0 343.408 2.329 50 30 EEEARN C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC1(C#N)CCCCC1 ZINC000006609995 462693507 /nfs/dbraw/zinc/69/35/07/462693507.db2.gz HBMRRRLDWGAXHF-GFCCVEGCSA-N 0 0 344.367 2.303 50 30 EEEARN Cc1cccn2c1nc1c(cc(C#N)c(=O)n1-c1ccc(F)cc1)c2=O ZINC000006809463 462707367 /nfs/dbraw/zinc/70/73/67/462707367.db2.gz RLNALQFZUZTLBF-UHFFFAOYSA-N 0 0 346.321 2.318 50 30 EEEARN N#Cc1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1 ZINC000007286638 462728623 /nfs/dbraw/zinc/72/86/23/462728623.db2.gz CEXFFHAZQICLGP-UHFFFAOYSA-N 0 0 340.408 2.277 50 30 EEEARN COc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000007376189 462732750 /nfs/dbraw/zinc/73/27/50/462732750.db2.gz XGGQQKBCYBTFGN-UHFFFAOYSA-N 0 0 332.381 2.054 50 30 EEEARN CS(=O)(=O)Cc1cccc(C(=O)OCc2ccccc2C#N)c1 ZINC000007535664 462740120 /nfs/dbraw/zinc/74/01/20/462740120.db2.gz IXYFUFLBRPQZRG-UHFFFAOYSA-N 0 0 329.377 2.460 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCCc2cnc3ccccn23)cc1 ZINC000065407929 462766666 /nfs/dbraw/zinc/76/66/66/462766666.db2.gz JSEXOOPZRZEWFW-UHFFFAOYSA-N 0 0 347.418 2.429 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(OCCNc2ccc(C#N)cc2)cc1 ZINC000012563199 462857146 /nfs/dbraw/zinc/85/71/46/462857146.db2.gz WYUHXXFXLOBJNJ-UHFFFAOYSA-N 0 0 345.424 2.299 50 30 EEEARN N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000015626891 462956978 /nfs/dbraw/zinc/95/69/78/462956978.db2.gz PNNTZHPNDVMMSZ-UHFFFAOYSA-N 0 0 341.392 2.251 50 30 EEEARN O=C1C=C/C(=N/S(=O)(=O)c2ccc(F)cc2)C=C1Br ZINC000015767647 462962450 /nfs/dbraw/zinc/96/24/50/462962450.db2.gz LXYJOYNJBSSBSH-DHDCSXOGSA-N 0 0 344.161 2.373 50 30 EEEARN O=[N+]([O-])N=C1NCN(Cc2ccccc2)CN1Cc1ccccc1 ZINC000019328981 463015282 /nfs/dbraw/zinc/01/52/82/463015282.db2.gz WYCSQVFVBVTWRQ-UHFFFAOYSA-N 0 0 325.372 2.057 50 30 EEEARN CC(=[NH+]C[C@@H]1CCCO1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000101156818 463376822 /nfs/dbraw/zinc/37/68/22/463376822.db2.gz BHJRHDSYURHLFS-LZNAANCOSA-N 0 0 344.371 2.370 50 30 EEEARN COc1ccc(OC)c(CN2CCN(C[C@@H](C#N)CCC#N)CC2)c1 ZINC000032679741 463387051 /nfs/dbraw/zinc/38/70/51/463387051.db2.gz WZMAGUWKJVINEB-MRXNPFEDSA-N 0 0 342.443 2.265 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)c1OC ZINC000103502502 463403797 /nfs/dbraw/zinc/40/37/97/463403797.db2.gz ZRKQNIWHTIGDOX-FEAKQIBJSA-N 0 0 342.395 2.438 50 30 EEEARN C#CC[C@H]([NH3+])[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071613496 463417430 /nfs/dbraw/zinc/41/74/30/463417430.db2.gz NGHDGHPWUHCBEJ-OALUTQOASA-N 0 0 349.386 2.394 50 30 EEEARN CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc(C#N)c1 ZINC000071767361 463424076 /nfs/dbraw/zinc/42/40/76/463424076.db2.gz PKSVUWWDNTUYCS-VKAVYKQESA-N 0 0 331.357 2.008 50 30 EEEARN C[C@@H]1CN(CC(=O)N2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000299772347 465885755 /nfs/dbraw/zinc/88/57/55/465885755.db2.gz ZCTUJPWNBGCZGC-CALCHBBNSA-N 0 0 341.455 2.180 50 30 EEEARN C=CCOc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 ZINC000524728995 467639083 /nfs/dbraw/zinc/63/90/83/467639083.db2.gz SPHHOWLSFQWFJE-YSIASYRMSA-N 0 0 344.455 2.405 50 30 biogenic EEEARN O=C(/C=C\NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F ZINC000105896214 1204898445 /nfs/dbraw/zinc/89/84/45/1204898445.db2.gz OCBPERLPGGXJSS-GXMNPTEKSA-N 0 0 346.324 2.434 50 30 EEEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCNS(C)(=O)=O ZINC000055041994 214266292 /nfs/dbraw/zinc/26/62/92/214266292.db2.gz CQDDVHJFHFEYJT-SJORKVTESA-N 0 0 348.468 2.400 50 30 EEEARN C=C(C)COc1ccccc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000055053480 214268212 /nfs/dbraw/zinc/26/82/12/214268212.db2.gz FKBYNZQLVJVILM-AWEZNQCLSA-N 0 0 328.412 2.382 50 30 EEEARN C=CCc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(OC)c1O ZINC000004694960 210250355 /nfs/dbraw/zinc/25/03/55/210250355.db2.gz QRVNUGBXDUSQEP-UPJOTNOKSA-N 0 0 342.380 2.378 50 30 EEEARN COc1cc(C(C)=NN2C(=O)CSC2=S)cc(OC)c1OC ZINC000004587118 210228149 /nfs/dbraw/zinc/22/81/49/210228149.db2.gz VFHPERJRUZOTQY-OVCLIPMQSA-N 0 0 340.426 2.297 50 30 EEEARN COC(=O)[C@@H]1C([O-])=C(C=[NH+]CCc2ccccc2)C(=O)CC1(C)C ZINC000100318986 219096629 /nfs/dbraw/zinc/09/66/29/219096629.db2.gz OCLUNMZKXQGIFE-GRNBYLDVSA-N 0 0 329.396 2.060 50 30 EEEARN Cc1nnc(=O)[nH]c1NN=C(C(=O)c1ccccc1)c1ccccc1 ZINC000003947151 210093883 /nfs/dbraw/zinc/09/38/83/210093883.db2.gz GRRYUMKSDLGNKJ-QNGOZBTKSA-N 0 0 333.351 2.172 50 30 EEEARN CC(C)[C@H]1CN(C(=O)c2ccc(C#N)nc2)CCC(=O)N1CC1CC1 ZINC000072146534 216033387 /nfs/dbraw/zinc/03/33/87/216033387.db2.gz AJPFLZBAZXFQTF-QGZVFWFLSA-N 0 0 340.427 2.062 50 30 EEEARN N#Cc1ccc(C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000023127755 212352396 /nfs/dbraw/zinc/35/23/96/212352396.db2.gz OHDWDTCFYVXWKI-LJQANCHMSA-N 0 0 335.407 2.362 50 30 EEEARN C#Cc1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 ZINC000023010205 212342168 /nfs/dbraw/zinc/34/21/68/212342168.db2.gz JICCAXSKOMUNBX-UHFFFAOYSA-N 0 0 325.349 2.185 50 30 EEEARN COc1nccc(N[C@@H]2CCOC[C@H]2OCc2cscn2)c1C#N ZINC000218310553 241313859 /nfs/dbraw/zinc/31/38/59/241313859.db2.gz AKPIMDXOYVFNQD-HUUCEWRRSA-N 0 0 346.412 2.205 50 30 EEEARN CC(C)c1noc(CN2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)n1 ZINC000426628233 241318393 /nfs/dbraw/zinc/31/83/93/241318393.db2.gz KUPWXUWUZCHSBD-ZDUSSCGKSA-N 0 0 339.399 2.302 50 30 EEEARN N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000225799742 242041445 /nfs/dbraw/zinc/04/14/45/242041445.db2.gz NVRNWENYWZCYAB-CYBMUJFWSA-N 0 0 334.335 2.388 50 30 EEEARN Cc1occc1C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000021198131 212215748 /nfs/dbraw/zinc/21/57/48/212215748.db2.gz XUYUHTMLJFXLMW-UHFFFAOYSA-N 0 0 347.396 2.311 50 30 EEEARN COc1cc(OC)cc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)c1 ZINC000013729202 211624465 /nfs/dbraw/zinc/62/44/65/211624465.db2.gz FNGQEMKLCXNIIO-UHFFFAOYSA-N 0 0 345.424 2.494 50 30 EEEARN COc1ccc(C=Nn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)cc1 ZINC000013570343 211582949 /nfs/dbraw/zinc/58/29/49/211582949.db2.gz HWCIIDXBQOCXHR-VXLYETTFSA-N 0 0 334.335 2.062 50 30 EEEARN CC1CCC(NC(=O)c2cccc(S(=O)(=O)NCCC#N)c2)CC1 ZINC000012789657 211457550 /nfs/dbraw/zinc/45/75/50/211457550.db2.gz XBUOBJBYMRPRSZ-UHFFFAOYSA-N 0 0 349.456 2.187 50 30 EEEARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2sccc2C#N)cc1 ZINC000009501142 211094133 /nfs/dbraw/zinc/09/41/33/211094133.db2.gz JFGCKYBIVLFJFN-UHFFFAOYSA-N 0 0 349.437 2.187 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000008931592 211019913 /nfs/dbraw/zinc/01/99/13/211019913.db2.gz FWSOGIBZAWIDFV-UHFFFAOYSA-N 0 0 328.397 2.325 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000034822 208553035 /nfs/dbraw/zinc/55/30/35/208553035.db2.gz FUVPXJLPHWGWDT-MRXNPFEDSA-N 0 0 341.319 2.493 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000097495032 219029748 /nfs/dbraw/zinc/02/97/48/219029748.db2.gz OZZHCUJQRGBEEY-INIZCTEOSA-N 0 0 325.368 2.258 50 30 biogenic EEEARN C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCCCC3=O)cc2C1=O ZINC000004789681 210278140 /nfs/dbraw/zinc/27/81/40/210278140.db2.gz KPMMBNKVPNZGDX-HNNXBMFYSA-N 0 0 327.336 2.137 50 30 EEEARN C=CC[NH2+]Cc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 ZINC000072407993 258015366 /nfs/dbraw/zinc/01/53/66/258015366.db2.gz FRZDGTVPZAAEDV-VQTJNVASSA-N 0 0 330.472 2.385 50 30 EEEARN Cn1cccc1CCC(=O)NC1CCN(c2ncccc2C#N)CC1 ZINC000534575262 270022910 /nfs/dbraw/zinc/02/29/10/270022910.db2.gz YMTCFOIPGROKKU-UHFFFAOYSA-N 0 0 337.427 2.010 50 30 EEEARN CCN(CC(=O)NC1(C#N)CCCC1)C[C@H]1COc2ccccc2O1 ZINC000036726039 276083081 /nfs/dbraw/zinc/08/30/81/276083081.db2.gz FCTWGLUHBNZCSN-HNNXBMFYSA-N 0 0 343.427 2.101 50 30 EEEARN CN(C)c1ccc([C@@H]2C3C(=O)c4ccccc4C3=Nc3nnnn32)cc1 ZINC000012349169 276803995 /nfs/dbraw/zinc/80/39/95/276803995.db2.gz PINJBRVFYLURSE-QGZVFWFLSA-N 0 0 344.378 2.362 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(S(=O)(=O)[C@@H](C)CC)CC2 ZINC000091663166 276894200 /nfs/dbraw/zinc/89/42/00/276894200.db2.gz UCJXGSOPKQOONU-AWEZNQCLSA-N 0 0 328.478 2.005 50 30 EEEARN C=CC[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@]21O3 ZINC000000485850 276908907 /nfs/dbraw/zinc/90/89/07/276908907.db2.gz SWEOKISNCSPDIY-QOSLBHJFSA-N 0 0 339.391 2.481 50 30 biogenic EEEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OC ZINC000004716213 277873062 /nfs/dbraw/zinc/87/30/62/277873062.db2.gz PFMYVIKXCZBACU-HNNXBMFYSA-N 0 0 326.356 2.305 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 ZINC000001891060 277873464 /nfs/dbraw/zinc/87/34/64/277873464.db2.gz XNBNJSDHTDVESP-CYBMUJFWSA-N 0 0 331.763 2.345 50 30 EEEARN CCCCCNc1nc(NCCCO)c(C#N)c2c1CN(C)CC2 ZINC000005824844 440969977 /nfs/dbraw/zinc/96/99/77/440969977.db2.gz BTXROBZDLNQXQQ-UHFFFAOYSA-N 0 0 331.464 2.338 50 30 EEEARN CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)nn1C ZINC000000373705 462557482 /nfs/dbraw/zinc/55/74/82/462557482.db2.gz BAXAJRAPPPURAX-UHFFFAOYSA-N 0 0 344.396 2.271 50 30 EEEARN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229219855 464193796 /nfs/dbraw/zinc/19/37/96/464193796.db2.gz DNUBYVQBTSGRIX-LSDHHAIUSA-N 0 0 329.448 2.320 50 30 EEEARN O=S1(=O)C[C@@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000334158182 465040918 /nfs/dbraw/zinc/04/09/18/465040918.db2.gz WACGEWALAZOZOJ-IONNQARKSA-P 0 0 338.261 2.411 50 30 EEEARN COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000000381121 462557770 /nfs/dbraw/zinc/55/77/70/462557770.db2.gz KBGAOLYEZDMEMH-GOEBONIOSA-N 0 0 331.368 2.159 50 30 EEEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1cccnc1 ZINC000000384253 462557794 /nfs/dbraw/zinc/55/77/94/462557794.db2.gz VYKBVAGHTAOYHO-YGRLFVJLSA-N 0 0 328.368 2.182 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000381134 462558327 /nfs/dbraw/zinc/55/83/27/462558327.db2.gz QEXTVQZMDFSGFG-HIFRSBDPSA-N 0 0 346.339 2.058 50 30 EEEARN CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(C)s2)cc1 ZINC000001009030 462575474 /nfs/dbraw/zinc/57/54/74/462575474.db2.gz YLPWHYHHZMROPQ-OQLLNIDSSA-N 0 0 337.426 2.327 50 30 EEEARN C=CCOc1ccc(/C=C2\C(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000002306503 462590921 /nfs/dbraw/zinc/59/09/21/462590921.db2.gz VJMIPTYQOZEWEC-LCYFTJDESA-N 0 0 329.352 2.220 50 30 EEEARN N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=O ZINC000002208845 462591525 /nfs/dbraw/zinc/59/15/25/462591525.db2.gz ZXAMJAXSQNDTPC-UHFFFAOYSA-N 0 0 342.358 2.124 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000005165112 462648105 /nfs/dbraw/zinc/64/81/05/462648105.db2.gz RIFWWYUEEOSOLB-UHFFFAOYSA-N 0 0 339.351 2.163 50 30 EEEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005629916 462665118 /nfs/dbraw/zinc/66/51/18/462665118.db2.gz VZPNCPYXVYXIDP-UHFFFAOYSA-N 0 0 327.296 2.493 50 30 EEEARN CC[C@@H](CO)N1CC(=O)C(c2nc(-c3ccc(C)cc3)cs2)=C1N ZINC000006935939 462713204 /nfs/dbraw/zinc/71/32/04/462713204.db2.gz ZARWROBRLLLGGG-ZDUSSCGKSA-N 0 0 343.452 2.401 50 30 EEEARN CCCn1nnnc1COC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000007310569 462730347 /nfs/dbraw/zinc/73/03/47/462730347.db2.gz IHTFQFGKMDBWRH-UHFFFAOYSA-N 0 0 340.343 2.004 50 30 EEEARN Cc1nnc(N2CC[C@H](CNc3ncccc3C#N)C2)c(C#N)c1C ZINC000065475308 462776768 /nfs/dbraw/zinc/77/67/68/462776768.db2.gz KTTUMWUYWQGHEG-CQSZACIVSA-N 0 0 333.399 2.170 50 30 EEEARN N#Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccc(F)cc3)o2)c1=O ZINC000008726642 462793538 /nfs/dbraw/zinc/79/35/38/462793538.db2.gz SUYBHBVTRGEMBA-UHFFFAOYSA-N 0 0 340.270 2.471 50 30 EEEARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCC#N)c1 ZINC000009836504 462808035 /nfs/dbraw/zinc/80/80/35/462808035.db2.gz UNODOXJPTIMNRW-UHFFFAOYSA-N 0 0 336.413 2.320 50 30 EEEARN C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000013939672 462906826 /nfs/dbraw/zinc/90/68/26/462906826.db2.gz UUAQICBBSJUKLL-LCYFTJDESA-N 0 0 333.365 2.382 50 30 EEEARN Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)c(C#N)c1C ZINC000024055638 463076888 /nfs/dbraw/zinc/07/68/88/463076888.db2.gz CHUQYAYBNVWGAI-UHFFFAOYSA-N 0 0 335.411 2.364 50 30 EEEARN N#Cc1ccc(N2CC[C@@H](OC(=O)c3n[nH]c4ccccc43)C2=O)cc1 ZINC000028679099 463231763 /nfs/dbraw/zinc/23/17/63/463231763.db2.gz VIKSCUOSHXYPBM-MRXNPFEDSA-N 0 0 346.346 2.397 50 30 EEEARN N#Cc1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)c1 ZINC000032795768 463395750 /nfs/dbraw/zinc/39/57/50/463395750.db2.gz SEGFGURCUKAMCZ-OAHLLOKOSA-N 0 0 326.331 2.436 50 30 EEEARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)C1N=CC=CC1=O ZINC000104013874 463407113 /nfs/dbraw/zinc/40/71/13/463407113.db2.gz BUJGKRDHCIQZCR-BUHFOSPRSA-N 0 0 336.735 2.187 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)c1OC ZINC000104257774 463410320 /nfs/dbraw/zinc/41/03/20/463410320.db2.gz MAGAWHARMBZCAR-CKXPSTMWSA-N 0 0 328.368 2.048 50 30 EEEARN C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000106797268 463536673 /nfs/dbraw/zinc/53/66/73/463536673.db2.gz BDEZPEAVKXUZGM-KGLIPLIRSA-N 0 0 349.456 2.139 50 30 EEEARN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn3c2CCCC3)cc1 ZINC000125617807 463562790 /nfs/dbraw/zinc/56/27/90/463562790.db2.gz JNMJBWRZEROMRS-CQSZACIVSA-N 0 0 338.367 2.189 50 30 EEEARN CNc1nc(-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)ncc1F ZINC000426477530 467142671 /nfs/dbraw/zinc/14/26/71/467142671.db2.gz HTQKNZDNSPSULS-GFCCVEGCSA-N 0 0 339.374 2.700 50 30 EEEARN C#CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000011064273 518276908 /nfs/dbraw/zinc/27/69/08/518276908.db2.gz XLTLSYBVXUPBEF-UHFFFAOYSA-N 0 0 334.832 2.460 50 30 EEEARN C#CCOC[C@H](O)CN(Cc1ccco1)Cc1ccccc1OC ZINC000036102751 518313619 /nfs/dbraw/zinc/31/36/19/518313619.db2.gz OMHDLFRWYSIXKT-QGZVFWFLSA-N 0 0 329.396 2.301 50 30 EEEARN C=CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)C)CC1 ZINC000036254703 518925936 /nfs/dbraw/zinc/92/59/36/518925936.db2.gz ROGUYESCSZOGCJ-SFHVURJKSA-N 0 0 335.492 2.038 50 30 EEEARN C=CCc1cc(OC)ccc1OCCSc1nc(N)cc(=O)[nH]1 ZINC000016527069 519131491 /nfs/dbraw/zinc/13/14/91/519131491.db2.gz LWISCXURSQZTBB-UHFFFAOYSA-N 0 0 333.413 2.260 50 30 EEEARN C=CCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C ZINC000003505673 519167402 /nfs/dbraw/zinc/16/74/02/519167402.db2.gz FVMJHOQVMMPHNQ-UHFFFAOYSA-N 0 0 329.400 2.338 50 30 EEEARN CCc1ccc(OCC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000018161702 524005217 /nfs/dbraw/zinc/00/52/17/524005217.db2.gz VDGWKYOGAGJQBF-UHFFFAOYSA-N 0 0 343.339 2.400 50 30 EEEARN COc1ccccc1/C=N/[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000018042650 524326974 /nfs/dbraw/zinc/32/69/74/524326974.db2.gz JRMVBSAREKNUEF-LKJNDSRGSA-N 0 0 330.340 2.117 50 30 EEEARN CCCCCCCCN1C(=O)C(=CNCCC)C(=O)NC1=S ZINC000105490534 684692790 /nfs/dbraw/zinc/69/27/90/684692790.db2.gz IEDLDNODCYLHDO-OUKQBFOZSA-N 0 0 325.478 2.474 50 30 EEEARN C=CCN1C[C@H](C(=O)Nc2ccccc2Cn2ccnc2C)CC1=O ZINC000952862353 796040633 /nfs/dbraw/zinc/04/06/33/796040633.db2.gz OWJROIGHZWOMCD-MRXNPFEDSA-N 0 0 338.411 2.213 50 30 EEEARN Cc1nc[nH]c1CSCCNC(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000952975532 796119370 /nfs/dbraw/zinc/11/93/70/796119370.db2.gz YYHMLKQCRCOTJG-UHFFFAOYSA-N 0 0 347.440 2.097 50 30 EEEARN COc1ccc([C@H]2CC(=O)C=C(Nc3nonc3N)C2)c(OC)c1 ZINC000101617837 219147104 /nfs/dbraw/zinc/14/71/04/219147104.db2.gz RZXNCCIBWIPSLE-SECBINFHSA-N 0 0 330.344 2.112 50 30 EEEARN CN(C)C=NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000204183354 539656722 /nfs/dbraw/zinc/65/67/22/539656722.db2.gz CPGSQTCWRQYPBH-LSCVHKIXSA-N 0 0 346.334 2.374 50 30 EEEARN N#Cc1ccccc1C(=O)NCC[C@@H]1CN(Cc2ccco2)CCO1 ZINC000067841960 215226682 /nfs/dbraw/zinc/22/66/82/215226682.db2.gz MBHYAIQLGCZYQP-QGZVFWFLSA-N 0 0 339.395 2.172 50 30 EEEARN N#Cc1cc(C#N)c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1N ZINC000019809506 212071099 /nfs/dbraw/zinc/07/10/99/212071099.db2.gz YNWHUNAFMVYNEK-UHFFFAOYSA-N 0 0 342.296 2.375 50 30 EEEARN C=CCOc1c(Br)cc(CNc2nn[nH]n2)cc1OC ZINC000012418882 211375094 /nfs/dbraw/zinc/37/50/94/211375094.db2.gz XMWOUZXIDLGYFJ-UHFFFAOYSA-N 0 0 340.181 2.148 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000097203941 218994407 /nfs/dbraw/zinc/99/44/07/218994407.db2.gz HGYIBUZIAAKNJH-LLVKDONJSA-N 0 0 334.426 2.088 50 30 EEEARN COc1cc([C@@H]2CC(=O)CC(=O)[C@H]2n2cncn2)cc(OC)c1OC ZINC000001390420 295020268 /nfs/dbraw/zinc/02/02/68/295020268.db2.gz JPWCYIYURVIJFX-LRDDRELGSA-N 0 0 345.355 2.044 50 30 EEEARN CCOC(=O)[C@H]1C(=O)C=C(N2CCOCC2)C[C@H]1c1ccccc1 ZINC000000227658 462549764 /nfs/dbraw/zinc/54/97/64/462549764.db2.gz GNBGVXYUAWIXRL-FUHWJXTLSA-N 0 0 329.396 2.138 50 30 EEEARN N#Cc1ccc(-c2c[n+]([O-])c(N)c(C(=O)OCc3ccccc3)n2)cc1 ZINC000000331519 462554393 /nfs/dbraw/zinc/55/43/93/462554393.db2.gz OXBGXPZLLHTGQI-UHFFFAOYSA-N 0 0 346.346 2.193 50 30 EEEARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(C#N)cc3)nc2n1 ZINC000000608631 462571412 /nfs/dbraw/zinc/57/14/12/462571412.db2.gz MPVUBWOTBFESKK-UHFFFAOYSA-N 0 0 328.282 2.494 50 30 EEEARN C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCC1=CCCCC1 ZINC000007046110 462718529 /nfs/dbraw/zinc/71/85/29/462718529.db2.gz ASACDKGQWSAQLQ-LLVKDONJSA-N 0 0 331.445 2.418 50 30 EEEARN C[C@H](C#N)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000007073389 462720384 /nfs/dbraw/zinc/72/03/84/462720384.db2.gz GQROCTBAPSRNFK-CYBMUJFWSA-N 0 0 329.429 2.167 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)c1cc2ccccc2[nH]1 ZINC000090743678 462808865 /nfs/dbraw/zinc/80/88/65/462808865.db2.gz TZOVSLCGHTUSHH-UHFFFAOYSA-N 0 0 347.374 2.079 50 30 EEEARN CN1CCc2c(C#N)c(N3CCCC3)nc(NC[C@H]3CCCO3)c2C1 ZINC000013815067 462905189 /nfs/dbraw/zinc/90/51/89/462905189.db2.gz LHSWENZCBXDEPN-CQSZACIVSA-N 0 0 341.459 2.132 50 30 EEEARN N#Cc1cccc(COC(=O)C[C@H](NC(N)=O)c2cccs2)c1 ZINC000014412655 462927684 /nfs/dbraw/zinc/92/76/84/462927684.db2.gz ZCHGDMZSDCWLCW-ZDUSSCGKSA-N 0 0 329.381 2.463 50 30 EEEARN Cc1cc(C)c(S(=O)(=O)N/N=C/c2cccc(O)c2O)c(C)c1 ZINC000017070462 462994587 /nfs/dbraw/zinc/99/45/87/462994587.db2.gz HHXHXHKXNQHXKS-RQZCQDPDSA-N 0 0 334.397 2.335 50 30 EEEARN Cc1ccccc1-n1c(S[C@H](C)C#N)nnc1N1CCOCC1 ZINC000017840364 463002055 /nfs/dbraw/zinc/00/20/55/463002055.db2.gz SOQIIEQZEHTKEY-CYBMUJFWSA-N 0 0 329.429 2.417 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)Nc2cccnc2Cl)nc1N ZINC000018240442 463009720 /nfs/dbraw/zinc/00/97/20/463009720.db2.gz YNBLXVBTWONVGK-UHFFFAOYSA-N 0 0 344.787 2.186 50 30 EEEARN CC(C)(C)c1nc(CN2CCN(c3cnc(C#N)cn3)CC2)cs1 ZINC000121764520 463191705 /nfs/dbraw/zinc/19/17/05/463191705.db2.gz FMCLFIDBLKTGOX-UHFFFAOYSA-N 0 0 342.472 2.424 50 30 EEEARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2C#N)[C@H]1C ZINC000102167905 463384682 /nfs/dbraw/zinc/38/46/82/463384682.db2.gz WCIVOLDYSFAQFS-IJEWVQPXSA-N 0 0 344.411 2.421 50 30 EEEARN CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc1C ZINC000032672372 463386981 /nfs/dbraw/zinc/38/69/81/463386981.db2.gz WXSBRYFKKCFKOD-OCCSQVGLSA-N 0 0 347.440 2.240 50 30 EEEARN Cc1noc(C)c1COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000032739668 463392013 /nfs/dbraw/zinc/39/20/13/463392013.db2.gz VKXDZTOBYFNGJM-UHFFFAOYSA-N 0 0 329.356 2.144 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)c1OC ZINC000104257874 463410078 /nfs/dbraw/zinc/41/00/78/463410078.db2.gz ZRKQNIWHTIGDOX-KVPUOBJLSA-N 0 0 342.395 2.438 50 30 EEEARN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000058265341 463562109 /nfs/dbraw/zinc/56/21/09/463562109.db2.gz CBTFCQWWTDAXQN-AWEZNQCLSA-N 0 0 329.448 2.320 50 30 EEEARN COc1ccccc1CC(=N)NOC(=O)COc1ccc(C)cc1 ZINC000004191923 524367249 /nfs/dbraw/zinc/36/72/49/524367249.db2.gz OVXLFPQUWACEAQ-UHFFFAOYSA-N 0 0 328.368 2.441 50 30 EEEARN O[C@@H](/N=C(/c1ccccc1)N1CCOCC1)C(Cl)(Cl)Cl ZINC000013305203 1223353143 /nfs/dbraw/zinc/35/31/43/1223353143.db2.gz IVTFHECIZMPKIO-ZSAINHDTSA-N 0 0 337.634 2.454 50 30 EEEARN C=CCNc1ncnc2sc(C(=O)N3CCC[C@H](O)C3)c(C)c21 ZINC000011870868 798863483 /nfs/dbraw/zinc/86/34/83/798863483.db2.gz UGVIPYPNSRGMFU-NSHDSACASA-N 0 0 332.429 2.195 50 30 EEEARN C=CCC(O)(CC=C)[C@H](C)NC(=O)CCNC(=O)c1ccccc1F ZINC000055042126 214266463 /nfs/dbraw/zinc/26/64/63/214266463.db2.gz WHRGZUNKFJBBDH-AWEZNQCLSA-N 0 0 348.418 2.334 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N[C@@H](C)c1nncn1CCOC ZINC000055413311 214321643 /nfs/dbraw/zinc/32/16/43/214321643.db2.gz SKVANMDLBKXTIB-AWEZNQCLSA-N 0 0 344.415 2.370 50 30 EEEARN N#Cc1cccc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000102127702 219187240 /nfs/dbraw/zinc/18/72/40/219187240.db2.gz PPUHMFWXKATDMC-HZPDHXFCSA-N 0 0 340.379 2.167 50 30 EEEARN CCN(CC)S(=O)(=O)c1cccc(NC2=NC[C@@H](C)S2)c1 ZINC000003885655 210084133 /nfs/dbraw/zinc/08/41/33/210084133.db2.gz PUAYGPJYKVHDRE-LLVKDONJSA-N 0 0 327.475 2.430 50 30 EEEARN Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CS(=O)(=O)C2(C)C)cc1 ZINC000001721840 209786629 /nfs/dbraw/zinc/78/66/29/209786629.db2.gz JIOPURBIBVJCGQ-OCCSQVGLSA-N 0 0 346.470 2.160 50 30 EEEARN CC(C)=CC(=O)N1CCc2ncnc(N3CCC[C@H](C#N)C3)c2CC1 ZINC000072447566 216237867 /nfs/dbraw/zinc/23/78/67/216237867.db2.gz MRVJKKLJTYCVBV-OAHLLOKOSA-N 0 0 339.443 2.110 50 30 EEEARN CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426545205 241306986 /nfs/dbraw/zinc/30/69/86/241306986.db2.gz ZVGMPKJGSGBWGS-ZDUSSCGKSA-N 0 0 336.395 2.217 50 30 EEEARN C=CCN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)SC1=S ZINC000016156137 211886597 /nfs/dbraw/zinc/88/65/97/211886597.db2.gz ROMIAJWCNVEQOE-LCYFTJDESA-N 0 0 345.449 2.264 50 30 EEEARN COC(=O)c1ccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000012407546 211370802 /nfs/dbraw/zinc/37/08/02/211370802.db2.gz FMBXAJRZVAYYSF-CQSZACIVSA-N 0 0 340.339 2.442 50 30 EEEARN C=CCN(CC=C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000012098937 211290483 /nfs/dbraw/zinc/29/04/83/211290483.db2.gz SECVYRPFZIQUBS-LJQANCHMSA-N 0 0 344.386 2.043 50 30 EEEARN C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000006747078 210698991 /nfs/dbraw/zinc/69/89/91/210698991.db2.gz LLQSSDARVCNGPN-UHFFFAOYSA-N 0 0 336.457 2.476 50 30 EEEARN C=CCn1cnnc1S[C@@H](C(=O)NC(=O)NCC)c1ccccc1 ZINC000006609536 258044988 /nfs/dbraw/zinc/04/49/88/258044988.db2.gz FZIPWCVOEDRPPT-CYBMUJFWSA-N 0 0 345.428 2.143 50 30 EEEARN C=CCN1CCN(C(=O)c2cc3cccc(OCC)c3oc2=O)CC1 ZINC000055059016 258014532 /nfs/dbraw/zinc/01/45/32/258014532.db2.gz RCMOAPGBXNKXCP-UHFFFAOYSA-N 0 0 342.395 2.136 50 30 EEEARN C=CCN(C#N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000000118972 258017408 /nfs/dbraw/zinc/01/74/08/258017408.db2.gz DCSPGJZYSRVGGM-UHFFFAOYSA-N 0 0 327.436 2.326 50 30 EEEARN C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000008750561 258017833 /nfs/dbraw/zinc/01/78/33/258017833.db2.gz VEKDPWZWORMZDC-UHFFFAOYSA-N 0 0 348.399 2.220 50 30 EEEARN CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1ccc(C#N)nc1 ZINC000299775609 258086104 /nfs/dbraw/zinc/08/61/04/258086104.db2.gz LATHHEVYBGFLGH-ZDUSSCGKSA-N 0 0 341.415 2.208 50 30 EEEARN CCc1cccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060481836 292150275 /nfs/dbraw/zinc/15/02/75/292150275.db2.gz NMTHQTQDDHIYGV-UHFFFAOYSA-N 0 0 349.438 2.276 50 30 EEEARN N#Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000024573812 264024770 /nfs/dbraw/zinc/02/47/70/264024770.db2.gz XPFPWCQPCADDCE-LJQANCHMSA-N 0 0 335.407 2.362 50 30 EEEARN CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc(Cl)cc2)c1=O ZINC000004279712 275541216 /nfs/dbraw/zinc/54/12/16/275541216.db2.gz INBMKODQIAUORR-QGMBQPNBSA-N 0 0 330.779 2.119 50 30 EEEARN C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000008271287 275747374 /nfs/dbraw/zinc/74/73/74/275747374.db2.gz RHSLGUQUXJYYIT-UHFFFAOYSA-N 0 0 333.413 2.084 50 30 EEEARN Cc1[nH][nH]c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100363950 278511706 /nfs/dbraw/zinc/51/17/06/278511706.db2.gz JGLGUOLSSHYZSX-STQMWFEESA-N 0 0 331.173 2.318 50 30 EEEARN COc1cc([C@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)ccc1O ZINC000040287935 295025413 /nfs/dbraw/zinc/02/54/13/295025413.db2.gz ZNPUQHKSUUOOKE-KRWDZBQOSA-N 0 0 336.351 2.491 50 30 EEEARN COc1ccccc1/C=N/N(C)C1=NS(=O)(=O)c2ccccc21 ZINC000000107139 462542567 /nfs/dbraw/zinc/54/25/67/462542567.db2.gz BRDPVCXYCVRLKC-GZTJUZNOSA-N 0 0 329.381 2.110 50 30 EEEARN CCOC(=O)[C@@H]1C(=O)C=C(N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000000227640 462550271 /nfs/dbraw/zinc/55/02/71/462550271.db2.gz GNBGVXYUAWIXRL-AEFFLSMTSA-N 0 0 329.396 2.138 50 30 EEEARN COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000000381126 462558350 /nfs/dbraw/zinc/55/83/50/462558350.db2.gz ZZYZZVGEHAGCKI-HOCLYGCPSA-N 0 0 331.368 2.159 50 30 EEEARN N#Cc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000000453520 462563743 /nfs/dbraw/zinc/56/37/43/462563743.db2.gz NSUICPQYJBMPNF-UHFFFAOYSA-N 0 0 336.380 2.265 50 30 EEEARN Cc1cc(C)nc(SC/C(=N/NC(N)=S)c2ccccc2)n1 ZINC000000495341 462568258 /nfs/dbraw/zinc/56/82/58/462568258.db2.gz ABXLETMRMBMFNJ-UYRXBGFRSA-N 0 0 331.470 2.423 50 30 EEEARN C#CCOn1c(=O)c2ccccc2nc1-n1nc(C)cc1CC(C)C ZINC000001845485 462587955 /nfs/dbraw/zinc/58/79/55/462587955.db2.gz HMIMCPVSBXJIIV-UHFFFAOYSA-N 0 0 336.395 2.151 50 30 EEEARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000003251502 462613945 /nfs/dbraw/zinc/61/39/45/462613945.db2.gz NUFPGGOZPYMXAV-UHFFFAOYSA-N 0 0 337.335 2.312 50 30 EEEARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O ZINC000008325725 462779597 /nfs/dbraw/zinc/77/95/97/462779597.db2.gz ZOGVXABLWLHUGF-HWPZZCPQSA-N 0 0 346.412 2.059 50 30 EEEARN COc1ccccc1/C=N/[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000013136788 462886173 /nfs/dbraw/zinc/88/61/73/462886173.db2.gz JRMVBSAREKNUEF-LMLSDYSLSA-N 0 0 330.340 2.117 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000014182805 462916865 /nfs/dbraw/zinc/91/68/65/462916865.db2.gz IBMVCGWQUXITEI-UHFFFAOYSA-N 0 0 347.465 2.126 50 30 EEEARN COc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccs2)c1 ZINC000017066767 462993484 /nfs/dbraw/zinc/99/34/84/462993484.db2.gz PFKMYGFLPKLTEA-ZROIWOOFSA-N 0 0 326.399 2.078 50 30 EEEARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C#N)CC2)cc1 ZINC000077523747 462999529 /nfs/dbraw/zinc/99/95/29/462999529.db2.gz POINAOVIYFPAFT-UHFFFAOYSA-N 0 0 349.390 2.307 50 30 EEEARN CCOC(=O)c1ccc(N2CCc3c(C#N)c(N)sc3C2)nc1 ZINC000025493099 463126478 /nfs/dbraw/zinc/12/64/78/463126478.db2.gz GMTGPCYGMODUPR-UHFFFAOYSA-N 0 0 328.397 2.336 50 30 EEEARN Cc1nn2c(c1C#N)NC(=O)[C@H]2CC(=O)Nc1ccccc1Cl ZINC000096194534 463201318 /nfs/dbraw/zinc/20/13/18/463201318.db2.gz KZZLMSNHQMELJO-GFCCVEGCSA-N 0 0 329.747 2.239 50 30 EEEARN N#CCSCC(=O)Nc1ccc(I)cc1 ZINC000032649267 463385054 /nfs/dbraw/zinc/38/50/54/463385054.db2.gz MCSDAGZLZQSZFR-UHFFFAOYSA-N 0 0 332.166 2.486 50 30 EEEARN N#C[C@H](C(=O)COc1ccc(F)cc1)C(=O)NCc1ccccc1 ZINC000103503591 463403373 /nfs/dbraw/zinc/40/33/73/463403373.db2.gz OHKSKEUKMGIMGG-MRXNPFEDSA-N 0 0 326.327 2.230 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000104055542 463408507 /nfs/dbraw/zinc/40/85/07/463408507.db2.gz CEQIFSRTPJYEOJ-UKRRQHHQSA-N 0 0 334.335 2.247 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2ccccc2F)[C@H](CCO)C1 ZINC000106949981 463554279 /nfs/dbraw/zinc/55/42/79/463554279.db2.gz OPSKTIUBRWMQCL-QGZVFWFLSA-N 0 0 340.402 2.166 50 30 EEEARN CCc1nc(CCNC(=O)c2ccc(C#CC(C)(C)O)o2)cs1 ZINC000244695600 464461711 /nfs/dbraw/zinc/46/17/11/464461711.db2.gz JPHNPJHLBGXQQL-UHFFFAOYSA-N 0 0 332.425 2.393 50 30 EEEARN Cc1nc(-c2cccs2)c(CC(=O)ON2C(=O)CCC2=O)s1 ZINC000245197897 464467710 /nfs/dbraw/zinc/46/77/10/464467710.db2.gz ANWVQPMMUUCKRV-UHFFFAOYSA-N 0 0 336.394 2.330 50 30 EEEARN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CCCCC2=O)c1 ZINC000027049103 518908982 /nfs/dbraw/zinc/90/89/82/518908982.db2.gz VJLCYIALVGHMAZ-CYBMUJFWSA-N 0 0 344.415 2.016 50 30 EEEARN COc1ccc(/C=N/[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017823258 523452729 /nfs/dbraw/zinc/45/27/29/523452729.db2.gz UGPNXGYAEZANPN-QUXGOIKBSA-N 0 0 330.340 2.117 50 30 EEEARN COc1ccc(C(=O)ONC(=N)c2ccc(OC)c(OC)c2)cc1 ZINC000004191544 523768071 /nfs/dbraw/zinc/76/80/71/523768071.db2.gz DMKLDRHNNLVUFN-UHFFFAOYSA-N 0 0 330.340 2.190 50 30 biogenic EEEARN Cc1cc(=O)[nH]c(SCC(=O)N(CCC#N)c2ccccc2)n1 ZINC000015379026 526120143 /nfs/dbraw/zinc/12/01/43/526120143.db2.gz IFXLKJUKFSTLSN-UHFFFAOYSA-N 0 0 328.397 2.117 50 30 EEEARN Cc1nnc(SCC(=O)N[C@@](C)(C#N)C2CC2)n1-c1ccccc1 ZINC000003386108 526379192 /nfs/dbraw/zinc/37/91/92/526379192.db2.gz SBIGZBPJTJQACE-KRWDZBQOSA-N 0 0 341.440 2.476 50 30 EEEARN CCC#CCN1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC001772819972 1410372242 /nfs/dbraw/zinc/37/22/42/1410372242.db2.gz ZCYXQSVJXPRNPK-UHFFFAOYSA-N 0 0 336.439 2.434 50 30 EEEARN N#Cc1ccc(NC(=O)COCC(=O)Nc2ccc(F)cc2)cc1 ZINC000004699621 210251971 /nfs/dbraw/zinc/25/19/71/210251971.db2.gz BJKZHFLIOATVMR-UHFFFAOYSA-N 0 0 327.315 2.291 50 30 EEEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004277575 210159936 /nfs/dbraw/zinc/15/99/36/210159936.db2.gz AQWMRWWYEAOMJA-UHFFFAOYSA-N 0 0 342.764 2.066 50 30 EEEARN C=CCNC(=O)N1CCn2nc(-c3nc4ccccc4n3C)cc2C1 ZINC000065408060 214900102 /nfs/dbraw/zinc/90/01/02/214900102.db2.gz QKCOFKXHCJLLES-UHFFFAOYSA-N 0 0 336.399 2.148 50 30 EEEARN Cc1cc(C)n(CCn2ccnc2-c2ccc(C#CCO)s2)n1 ZINC000067673960 215178981 /nfs/dbraw/zinc/17/89/81/215178981.db2.gz PRJDAPAVSRGBPZ-UHFFFAOYSA-N 0 0 326.425 2.469 50 30 EEEARN N#CC1(C#N)[C@H](c2ccco2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 ZINC000035840467 283042015 /nfs/dbraw/zinc/04/20/15/283042015.db2.gz GQBPQIBYXRTVJF-ZACQAIPSSA-N 0 0 330.347 2.292 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)OCC)C1=O ZINC000001151060 209713634 /nfs/dbraw/zinc/71/36/34/209713634.db2.gz KJRZPSURWCCTSJ-GXDHUFHOSA-N 0 0 345.376 2.298 50 30 EEEARN N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)NCc2ccco2)cc1 ZINC000219479936 241386658 /nfs/dbraw/zinc/38/66/58/241386658.db2.gz MAOFLRPNKNYLGN-IAGOWNOFSA-N 0 0 341.367 2.187 50 30 EEEARN N#Cc1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000021822173 212254205 /nfs/dbraw/zinc/25/42/05/212254205.db2.gz DMFLFWBNBFJJKW-UHFFFAOYSA-N 0 0 334.423 2.315 50 30 EEEARN CN(C[C@H]1Cc2ccccc2CO1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000225791113 242037669 /nfs/dbraw/zinc/03/76/69/242037669.db2.gz NJQBVAGNNYUJEC-QGZVFWFLSA-N 0 0 342.420 2.320 50 30 EEEARN N#Cc1ncn(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000014143231 211693216 /nfs/dbraw/zinc/69/32/16/211693216.db2.gz RWMSVKHOSFTPPR-UHFFFAOYSA-N 0 0 328.332 2.051 50 30 EEEARN C[C@H](O)CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000013691022 211612596 /nfs/dbraw/zinc/61/25/96/211612596.db2.gz SJQUBUCZLYKCPN-VIFPVBQESA-N 0 0 349.843 2.356 50 30 EEEARN CO/N=C\NC(=O)NOCc1ncc(C(F)(F)F)cc1Cl ZINC000013396147 211554177 /nfs/dbraw/zinc/55/41/77/211554177.db2.gz PYQRKWRWWDEMTM-UHFFFAOYSA-N 0 0 326.662 2.074 50 30 EEEARN C=CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000012622421 211425640 /nfs/dbraw/zinc/42/56/40/211425640.db2.gz PGKLDOCNBLUKRZ-UHFFFAOYSA-N 0 0 348.380 2.361 50 30 EEEARN C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCCCC)c1=O ZINC000012127850 211299665 /nfs/dbraw/zinc/29/96/65/211299665.db2.gz IVBRYHWDDFVLKE-ZDUSSCGKSA-N 0 0 333.432 2.265 50 30 EEEARN CCCOC[C@H]1C[C@@]2(S/C(=N/c3ccc(C)cc3)NC2=O)C(=O)O1 ZINC000009350694 211072245 /nfs/dbraw/zinc/07/22/45/211072245.db2.gz VRJYEHGOYYFFMJ-DYVFJYSZSA-N 0 0 348.424 2.326 50 30 EEEARN C#CCOn1c(=O)c2ccccc2nc1-n1nc(CC(C)C)cc1C ZINC000008491527 210958630 /nfs/dbraw/zinc/95/86/30/210958630.db2.gz GXYWUUXEPGWUFQ-UHFFFAOYSA-N 0 0 336.395 2.151 50 30 EEEARN COc1cc(C#N)ccc1OCC(=O)NCCc1ccc(F)cc1 ZINC000005629624 210504891 /nfs/dbraw/zinc/50/48/91/210504891.db2.gz PVLHDSHHNIXFAG-UHFFFAOYSA-N 0 0 328.343 2.444 50 30 EEEARN CCOC(=O)c1cs/c(=N/N=C/c2cccc([N+](=O)[O-])c2)n1C ZINC000005242412 210421498 /nfs/dbraw/zinc/42/14/98/210421498.db2.gz RHXKMLCLSUPDFX-FHDNEQPZSA-N 0 0 334.357 2.106 50 30 EEEARN C=CCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC ZINC000004918665 210324556 /nfs/dbraw/zinc/32/45/56/210324556.db2.gz AIOZCZVHDUONFR-HNNXBMFYSA-N 0 0 348.424 2.226 50 30 EEEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc2c(c1)OCO2 ZINC000000542954 275042999 /nfs/dbraw/zinc/04/29/99/275042999.db2.gz UHFYXAFVYHFVBG-DNTJNYDQSA-N 0 0 332.319 2.489 50 30 EEEARN C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1ccccc1 ZINC000000798419 462573188 /nfs/dbraw/zinc/57/31/88/462573188.db2.gz ZRWIIVQZFBKGFP-NSHDSACASA-N 0 0 330.413 2.131 50 30 EEEARN Cc1cc(N2C[C@H](COS(C)(=O)=O)CC2=O)ccc1C(C)C ZINC000004532219 462634076 /nfs/dbraw/zinc/63/40/76/462634076.db2.gz HAUKDEWQCMLHTJ-CYBMUJFWSA-N 0 0 325.430 2.448 50 30 EEEARN N#Cc1ccc(CSc2ccccc2C(=O)OCC(N)=O)cc1 ZINC000005309681 462654552 /nfs/dbraw/zinc/65/45/52/462654552.db2.gz NORHQPPOWRCDJI-UHFFFAOYSA-N 0 0 326.377 2.493 50 30 EEEARN COC(=O)c1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005545471 462661864 /nfs/dbraw/zinc/66/18/64/462661864.db2.gz QMYFFDROXYKQCG-GZTJUZNOSA-N 0 0 332.381 2.094 50 30 EEEARN COc1ccc(/C=N/N2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000005889823 462671562 /nfs/dbraw/zinc/67/15/62/462671562.db2.gz OVGFZELXPPKSKI-XSFVSMFZSA-N 0 0 326.400 2.255 50 30 EEEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000006541165 462689359 /nfs/dbraw/zinc/68/93/59/462689359.db2.gz ZYFJXYATFRGTTL-UHFFFAOYSA-N 0 0 339.351 2.073 50 30 EEEARN CCn1cc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cn1 ZINC000006637163 462693560 /nfs/dbraw/zinc/69/35/60/462693560.db2.gz VFUJFXRLYWIBRE-CYBMUJFWSA-N 0 0 330.417 2.238 50 30 EEEARN CCN(CC)C(=O)c1sc(NC(=O)CC#N)c(C(=O)OC)c1C ZINC000006783571 462704357 /nfs/dbraw/zinc/70/43/57/462704357.db2.gz JWBGROIRSOORKO-UHFFFAOYSA-N 0 0 337.401 2.177 50 30 EEEARN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000007146441 462724071 /nfs/dbraw/zinc/72/40/71/462724071.db2.gz IUMYCJARWADJSL-UHFFFAOYSA-N 0 0 329.425 2.445 50 30 EEEARN N#CCCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000007763743 462749607 /nfs/dbraw/zinc/74/96/07/462749607.db2.gz NGVIYJJVNITYAQ-UHFFFAOYSA-N 0 0 333.442 2.463 50 30 EEEARN N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1 ZINC000008745997 462794691 /nfs/dbraw/zinc/79/46/91/462794691.db2.gz FTXNEQUSOJAWEN-MRXNPFEDSA-N 0 0 347.378 2.343 50 30 EEEARN C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000012609974 462859534 /nfs/dbraw/zinc/85/95/34/462859534.db2.gz JDDXWBXZOYDQLI-GHMZBOCLSA-N 0 0 339.424 2.389 50 30 EEEARN CC/N=C1\S[C@@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC ZINC000013151497 462886891 /nfs/dbraw/zinc/88/68/91/462886891.db2.gz DNVGZJFGVOJQAF-VLUKHXRESA-N 0 0 335.429 2.364 50 30 EEEARN N#Cc1nc(-c2cccc3ccccc32)oc1N1CCN(CCO)CC1 ZINC000016742552 462990171 /nfs/dbraw/zinc/99/01/71/462990171.db2.gz VCWJFJJOKKKWKV-UHFFFAOYSA-N 0 0 348.406 2.481 50 30 EEEARN CN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1C#N ZINC000024987027 463103959 /nfs/dbraw/zinc/10/39/59/463103959.db2.gz IXZXUDWQKFDUSB-UHFFFAOYSA-N 0 0 325.393 2.392 50 30 EEEARN Cc1nn(Cc2cc(=O)oc3cc4c(cc23)CCC4)c(=O)c(C#N)c1C ZINC000027944723 463210000 /nfs/dbraw/zinc/21/00/00/463210000.db2.gz HEHSUBKMMVFVEX-UHFFFAOYSA-N 0 0 347.374 2.375 50 30 EEEARN Cn1c(Cl)cnc1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226380 463248366 /nfs/dbraw/zinc/24/83/66/463248366.db2.gz UBYQHRQNBCWMRB-UHFFFAOYSA-N 0 0 346.822 2.133 50 30 EEEARN C=CCNc1nnc(SCC(=O)Nc2nnc(C(C)C)o2)s1 ZINC000032831919 463397669 /nfs/dbraw/zinc/39/76/69/463397669.db2.gz KEZLPLIPRYWLDW-UHFFFAOYSA-N 0 0 340.434 2.373 50 30 EEEARN COC(=O)c1cc(C#N)c(=O)n(Cc2cc(-c3ccccc3)on2)c1 ZINC000032902168 463400777 /nfs/dbraw/zinc/40/07/77/463400777.db2.gz OAHURJUVCJITGN-UHFFFAOYSA-N 0 0 335.319 2.210 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)c1OC ZINC000103502711 463404105 /nfs/dbraw/zinc/40/41/05/463404105.db2.gz MAGAWHARMBZCAR-VFNNOXKTSA-N 0 0 328.368 2.048 50 30 EEEARN C=C(C)COc1ccc(C(=O)NC[C@H](CC)N2CCOCC2)cc1 ZINC000055224700 518613387 /nfs/dbraw/zinc/61/33/87/518613387.db2.gz ABXKUEIUPHISRR-KRWDZBQOSA-N 0 0 332.444 2.482 50 30 EEEARN C=CCc1ccccc1OC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000000303653 519144621 /nfs/dbraw/zinc/14/46/21/519144621.db2.gz FXWPWOBBSJXBIX-HNNXBMFYSA-N 0 0 337.375 2.451 50 30 EEEARN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000011530867 523772272 /nfs/dbraw/zinc/77/22/72/523772272.db2.gz LOJKESZLCNLWNO-KPZWWZAWSA-N 0 0 348.399 2.304 50 30 EEEARN C[C@@](C#N)(NC(=O)COC(=O)c1nc(Cl)ccc1Cl)C1CC1 ZINC000004767451 525739526 /nfs/dbraw/zinc/73/95/26/525739526.db2.gz GOCRFJOTEBUNAS-AWEZNQCLSA-N 0 0 342.182 2.354 50 30 EEEARN O=C(CC1=C(c2ccccc2)CCC1=O)NCc1nnc2n1CCC2 ZINC000223074646 526335709 /nfs/dbraw/zinc/33/57/09/526335709.db2.gz IVFDXBXONFTIOP-UHFFFAOYSA-N 0 0 336.395 2.047 50 30 EEEARN N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC000031400644 526522969 /nfs/dbraw/zinc/52/29/69/526522969.db2.gz GUKAPBUQRIYTJS-UHFFFAOYSA-N 0 0 342.399 2.343 50 30 EEEARN CC(C)[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ncnn1C ZINC000218399086 535111031 /nfs/dbraw/zinc/11/10/31/535111031.db2.gz OUXBZKXBLABWQH-INIZCTEOSA-N 0 0 340.427 2.065 50 30 EEEARN OCC#Cc1csc(CNCc2noc(-c3cccs3)n2)c1 ZINC000952978982 796126324 /nfs/dbraw/zinc/12/63/24/796126324.db2.gz MLBDGBHBKOYVQH-UHFFFAOYSA-N 0 0 331.422 2.493 50 30 EEEARN COc1ccccc1CCNC(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000824819775 800292793 /nfs/dbraw/zinc/29/27/93/800292793.db2.gz WPSQMBFDUDHEOO-UHFFFAOYSA-N 0 0 327.380 2.383 50 30 EEEARN N#Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003460036 210046003 /nfs/dbraw/zinc/04/60/03/210046003.db2.gz HQRRSLZZJJXRSL-UHFFFAOYSA-N 0 0 338.319 2.125 50 30 EEEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003428647 210037140 /nfs/dbraw/zinc/03/71/40/210037140.db2.gz CPMUSJHYMXYCAY-UHFFFAOYSA-N 0 0 326.308 2.313 50 30 EEEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000104055817 219342968 /nfs/dbraw/zinc/34/29/68/219342968.db2.gz TXPHNNMDLCPVCC-SWLSCSKDSA-N 0 0 334.335 2.068 50 30 EEEARN C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)C(C)C ZINC000035767027 213048868 /nfs/dbraw/zinc/04/88/68/213048868.db2.gz IYBOPBUDULYVDT-KRWDZBQOSA-N 0 0 348.443 2.458 50 30 EEEARN N#CC(N=Nc1ccc(Br)cc1)=C(N)N1CCOCC1 ZINC000000067840 209398233 /nfs/dbraw/zinc/39/82/33/209398233.db2.gz RZHVRHKZJWVBON-JAYOHMJJSA-N 0 0 336.193 2.050 50 30 EEEARN COc1cc([C@H]2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000067204 209397859 /nfs/dbraw/zinc/39/78/59/209397859.db2.gz SIKIJTRPERTCRJ-MRXNPFEDSA-N 0 0 346.383 2.416 50 30 EEEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)cc1OC ZINC000000067005 209398031 /nfs/dbraw/zinc/39/80/31/209398031.db2.gz MNBRPDIOSLUATF-INIZCTEOSA-N 0 0 326.356 2.317 50 30 EEEARN COCCCN1C[C@@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O ZINC000072425663 216216039 /nfs/dbraw/zinc/21/60/39/216216039.db2.gz WBACCPUYJMAHRU-IBGZPJMESA-N 0 0 342.443 2.199 50 30 EEEARN Cn1nc(C(=O)OCCOc2ccc(C#N)cc2)c2ccccc2c1=O ZINC000022148707 212280454 /nfs/dbraw/zinc/28/04/54/212280454.db2.gz WJUFAOUAJVBFOP-UHFFFAOYSA-N 0 0 349.346 2.041 50 30 EEEARN N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)nc1 ZINC000215472087 241127775 /nfs/dbraw/zinc/12/77/75/241127775.db2.gz CEIOTHAJBXAVKI-SFHVURJKSA-N 0 0 332.407 2.332 50 30 EEEARN N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000225802094 242043898 /nfs/dbraw/zinc/04/38/98/242043898.db2.gz NAOSVJNFIZUMGQ-CQSZACIVSA-N 0 0 345.362 2.190 50 30 EEEARN COC(=O)c1cccn2cc(COC(=O)c3ccc(C#N)cc3)nc12 ZINC000010486558 211175145 /nfs/dbraw/zinc/17/51/45/211175145.db2.gz DHXDLIXWYXHTTF-UHFFFAOYSA-N 0 0 335.319 2.350 50 30 EEEARN C=CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000006904948 210740191 /nfs/dbraw/zinc/74/01/91/210740191.db2.gz SJCPVILWBCPZHC-UHFFFAOYSA-N 0 0 325.390 2.367 50 30 EEEARN C=CCN(CC=C)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006755534 210703416 /nfs/dbraw/zinc/70/34/16/210703416.db2.gz DHROEABAYVAMKZ-UHFFFAOYSA-N 0 0 348.468 2.288 50 30 EEEARN C=CCn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000006589847 258044718 /nfs/dbraw/zinc/04/47/18/258044718.db2.gz OGSASVJKPOGNNU-UHFFFAOYSA-N 0 0 346.412 2.356 50 30 EEEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1cccnc1 ZINC000000384252 285671812 /nfs/dbraw/zinc/67/18/12/285671812.db2.gz VYKBVAGHTAOYHO-QMTHXVAHSA-N 0 0 328.368 2.182 50 30 EEEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1O ZINC000012349104 295246776 /nfs/dbraw/zinc/24/67/76/295246776.db2.gz NQBFIEQNRJESQL-HNNXBMFYSA-N 0 0 341.371 2.045 50 30 EEEARN Cc1nn(-c2ccccc2)nc1C(=O)ONC(=O)Cc1ccccc1 ZINC000000150977 462544378 /nfs/dbraw/zinc/54/43/78/462544378.db2.gz FIJUZGBBRHIUSY-UHFFFAOYSA-N 0 0 336.351 2.006 50 30 EEEARN C=CCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O ZINC000002707869 462598998 /nfs/dbraw/zinc/59/89/98/462598998.db2.gz KCUMEYAIDXMSOG-UHFFFAOYSA-N 0 0 338.157 2.480 50 30 EEEARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#N)c1 ZINC000005443764 462659595 /nfs/dbraw/zinc/65/95/95/462659595.db2.gz CATGZOXEZYVSJG-UHFFFAOYSA-N 0 0 343.408 2.369 50 30 EEEARN O=C1CS/C(=N\CN2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 ZINC000005569897 462662804 /nfs/dbraw/zinc/66/28/04/462662804.db2.gz DBIFYXOKTXUTCH-NXVVXOECSA-N 0 0 334.401 2.474 50 30 EEEARN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000007050583 462719924 /nfs/dbraw/zinc/71/99/24/462719924.db2.gz DUIHFJRGJAFKFI-UHFFFAOYSA-N 0 0 330.365 2.454 50 30 EEEARN Cn1c(CCC(=O)OCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000007268792 462728255 /nfs/dbraw/zinc/72/82/55/462728255.db2.gz IFJXFGARGALWAJ-UHFFFAOYSA-N 0 0 347.374 2.481 50 30 EEEARN C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2OC)C1 ZINC000011952969 462840708 /nfs/dbraw/zinc/84/07/08/462840708.db2.gz NAIFOEKXBIPECG-KRWDZBQOSA-N 0 0 340.423 2.082 50 30 EEEARN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(C)c1 ZINC000119250054 462883386 /nfs/dbraw/zinc/88/33/86/462883386.db2.gz DDVBOJIOOTXIPA-UHFFFAOYSA-N 0 0 338.820 2.288 50 30 EEEARN COc1ccccc1CN1CC(=O)C(c2nc(C)c(C)s2)=C1N ZINC000013691754 462899981 /nfs/dbraw/zinc/89/99/81/462899981.db2.gz GSAJGICRCUXKFU-UHFFFAOYSA-N 0 0 329.425 2.481 50 30 EEEARN N#Cc1ncn(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000014143589 462913704 /nfs/dbraw/zinc/91/37/04/462913704.db2.gz WGMMYRNWAPAWLR-UHFFFAOYSA-N 0 0 327.678 2.043 50 30 EEEARN C=CCc1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000015659182 462958721 /nfs/dbraw/zinc/95/87/21/462958721.db2.gz KDUGLTZTMQVDGV-HLLBOEOZSA-N 0 0 335.444 2.273 50 30 EEEARN CCO/C=N/c1c(C(N)=O)nnn1Cc1cccc(C(F)(F)F)c1 ZINC000015829036 462964409 /nfs/dbraw/zinc/96/44/09/462964409.db2.gz LJPHBVGLHJTIFB-UFWORHAWSA-N 0 0 341.293 2.140 50 30 EEEARN CN(CC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000016628784 462985115 /nfs/dbraw/zinc/98/51/15/462985115.db2.gz GRMATESWTRWWGG-INIZCTEOSA-N 0 0 337.379 2.269 50 30 EEEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000018199448 463009368 /nfs/dbraw/zinc/00/93/68/463009368.db2.gz WPLVFXQDDWKWQR-GFCCVEGCSA-N 0 0 343.770 2.281 50 30 EEEARN COc1ccc(OCC(=O)N=C(N)Nc2nc3ccccc3o2)cc1 ZINC000051367076 463032400 /nfs/dbraw/zinc/03/24/00/463032400.db2.gz CMUVQFJBUGOCDC-UHFFFAOYSA-N 0 0 340.339 2.169 50 30 EEEARN Cc1c(CN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)cnn1C ZINC000067692612 463038511 /nfs/dbraw/zinc/03/85/11/463038511.db2.gz VVDNUJPDDRMMSS-UHFFFAOYSA-N 0 0 325.412 2.123 50 30 EEEARN Cc1nnc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C#N)c1C ZINC000024054898 463076154 /nfs/dbraw/zinc/07/61/54/463076154.db2.gz UUOZDHYADUCHCO-UHFFFAOYSA-N 0 0 349.438 2.222 50 30 EEEARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccsc1 ZINC000096097462 463171664 /nfs/dbraw/zinc/17/16/64/463171664.db2.gz OIWBNUOPOKSVJJ-CQSZACIVSA-N 0 0 329.381 2.062 50 30 EEEARN C[C@H]1NC(C(=O)Nc2ccc(CC#N)cc2)=NN(c2ccccc2)C1=O ZINC000031545738 463343682 /nfs/dbraw/zinc/34/36/82/463343682.db2.gz LSWPBSQENWFMDE-CYBMUJFWSA-N 0 0 347.378 2.030 50 30 EEEARN N#C[C@@H](C(=O)COc1ccc(F)cc1)C(=O)NCc1ccccc1 ZINC000103503590 463403410 /nfs/dbraw/zinc/40/34/10/463403410.db2.gz OHKSKEUKMGIMGG-INIZCTEOSA-N 0 0 326.327 2.230 50 30 EEEARN CCOCCCNC(=O)C(C#N)=C(O)C=C(C)c1ccc(F)cc1 ZINC000103682070 463406464 /nfs/dbraw/zinc/40/64/64/463406464.db2.gz VKGHFELPNOMXJS-DVFVSVACSA-N 0 0 332.375 2.481 50 30 EEEARN N#Cc1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)cn1 ZINC000106462720 463516947 /nfs/dbraw/zinc/51/69/47/463516947.db2.gz FRVGIYXRPXONQA-UHFFFAOYSA-N 0 0 331.782 2.463 50 30 EEEARN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1O ZINC000108169681 463591455 /nfs/dbraw/zinc/59/14/55/463591455.db2.gz FWCAQZUABPVUJS-DZGCQCFKSA-N 0 0 340.420 2.115 50 30 EEEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)NC ZINC000044085757 463666955 /nfs/dbraw/zinc/66/69/55/463666955.db2.gz AHCHMWQJVXTRJX-UHFFFAOYSA-N 0 0 332.385 2.482 50 30 EEEARN C=CCN(Cc1cc(OC)no1)S(=O)(=O)c1ccc(OC)cc1 ZINC000585137263 468987180 /nfs/dbraw/zinc/98/71/80/468987180.db2.gz PGYPGGJIWFYSJT-UHFFFAOYSA-N 0 0 338.385 2.069 50 30 EEEARN C=C(C)COc1cccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000055405217 518619964 /nfs/dbraw/zinc/61/99/64/518619964.db2.gz BKECYANDABPJOH-LJQANCHMSA-N 0 0 344.455 2.465 50 30 EEEARN C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000004487980 518933606 /nfs/dbraw/zinc/93/36/06/518933606.db2.gz KIGNLMJXHVGURJ-UHFFFAOYSA-N 0 0 336.438 2.489 50 30 EEEARN CCO[C@H]1CN(C)C[C@@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000426739128 535635716 /nfs/dbraw/zinc/63/57/16/535635716.db2.gz XBIMJBANVVSDKY-HKUYNNGSSA-N 0 0 342.439 2.029 50 30 EEEARN CCOC(=O)N1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 ZINC000024749062 684373798 /nfs/dbraw/zinc/37/37/98/684373798.db2.gz ADMKYBOJIDFPCX-CMDGGOBGSA-N 0 0 330.384 2.035 50 30 EEEARN C=CCNC(=O)NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000004580806 210226737 /nfs/dbraw/zinc/22/67/37/210226737.db2.gz VGOBRFRFIMNIMH-UHFFFAOYSA-N 0 0 332.400 2.397 50 30 EEEARN C#CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 ZINC000004472350 210196744 /nfs/dbraw/zinc/19/67/44/210196744.db2.gz VYONJIJFIDSKHV-IWQAVIMZSA-N 0 0 345.376 2.296 50 30 EEEARN C=CCn1c(SCC(=O)NCC)nc2sc(C)c(C)c2c1=O ZINC000003319212 210005734 /nfs/dbraw/zinc/00/57/34/210005734.db2.gz ZFVKIUAQRPVZCX-UHFFFAOYSA-N 0 0 337.470 2.489 50 30 EEEARN CCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000067714475 215192440 /nfs/dbraw/zinc/19/24/40/215192440.db2.gz RVZKTWJMGSUSFI-HNNXBMFYSA-N 0 0 335.473 2.100 50 30 EEEARN N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCSCC3)c2c1 ZINC000040268209 213286896 /nfs/dbraw/zinc/28/68/96/213286896.db2.gz YWYUPWTXPZXZPF-OAHLLOKOSA-N 0 0 331.397 2.245 50 30 EEEARN N#Cc1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1 ZINC000032914871 212870622 /nfs/dbraw/zinc/87/06/22/212870622.db2.gz RXAAKIQQZGASMR-UHFFFAOYSA-N 0 0 327.771 2.371 50 30 EEEARN C=CCNc1ncnc2c1CCN(C(=O)COc1ccccc1)CC2 ZINC000072431480 216224214 /nfs/dbraw/zinc/22/42/14/216224214.db2.gz VFHOAGNVPBCRRI-UHFFFAOYSA-N 0 0 338.411 2.081 50 30 EEEARN COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1OC ZINC000013735002 211625945 /nfs/dbraw/zinc/62/59/45/211625945.db2.gz SEIKERGPCNVZDX-UHFFFAOYSA-N 0 0 345.424 2.494 50 30 EEEARN CC(=O)N1CCc2cc(NC(=O)COc3ccc(C#N)cc3)ccc21 ZINC000012868887 211473255 /nfs/dbraw/zinc/47/32/55/211473255.db2.gz HPXAJTMTWPJGJT-UHFFFAOYSA-N 0 0 335.363 2.485 50 30 EEEARN COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccccc2)NC(=O)N1C ZINC000012821486 211465321 /nfs/dbraw/zinc/46/53/21/211465321.db2.gz KXLROUGNDCGQHP-AWEZNQCLSA-N 0 0 340.335 2.286 50 30 EEEARN C=CCNC(=O)COC(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000007778458 210844777 /nfs/dbraw/zinc/84/47/77/210844777.db2.gz CDDHXMTUCSFIKV-UHFFFAOYSA-N 0 0 333.384 2.284 50 30 EEEARN CCOC(=O)c1c(C)n(C)c2c1C(=O)C(=O)C(Br)=C2 ZINC000002075155 276296492 /nfs/dbraw/zinc/29/64/92/276296492.db2.gz POKJDSOSOVGBRT-UHFFFAOYSA-N 0 0 326.146 2.011 50 30 EEEARN NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(F)cc1 ZINC000040283294 303351104 /nfs/dbraw/zinc/35/11/04/303351104.db2.gz LAXDKPNQNSGMST-HNNXBMFYSA-N 0 0 326.331 2.143 50 30 EEEARN O=c1c(/C=N/NC(=S)NCc2ccco2)coc2ccccc12 ZINC000000075054 462541108 /nfs/dbraw/zinc/54/11/08/462541108.db2.gz KNUHODULRZEANA-QGMBQPNBSA-N 0 0 327.365 2.384 50 30 EEEARN CCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C)o1 ZINC000044973929 462548542 /nfs/dbraw/zinc/54/85/42/462548542.db2.gz GKQJELHJNVWYCA-AWEZNQCLSA-N 0 0 341.367 2.022 50 30 EEEARN COC1(OC)[C@@H](/C=C/c2ccccc2)C(C#N)(C#N)C1(OC)OC ZINC000000340859 462555965 /nfs/dbraw/zinc/55/59/65/462555965.db2.gz NXUPXBDUVJSWJJ-NKSUMMKUSA-N 0 0 328.368 2.341 50 30 EEEARN COCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000003088900 462609677 /nfs/dbraw/zinc/60/96/77/462609677.db2.gz QYQDUTFBWMWGNF-HNNXBMFYSA-N 0 0 343.379 2.167 50 30 EEEARN C=CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC ZINC000005201207 462650043 /nfs/dbraw/zinc/65/00/43/462650043.db2.gz ZBEALKXXHMOJNW-UHFFFAOYSA-N 0 0 344.367 2.084 50 30 EEEARN C=CCN(Cc1ccccc1C)C(=O)Cc1nc(NC(C)=O)n[nH]1 ZINC000065396344 462764242 /nfs/dbraw/zinc/76/42/42/462764242.db2.gz VZUXUDXIQPGVQM-UHFFFAOYSA-N 0 0 327.388 2.478 50 30 EEEARN COc1ccc(OCCN(C)S(=O)(=O)c2ccccc2C#N)cc1 ZINC000008193422 462772786 /nfs/dbraw/zinc/77/27/86/462772786.db2.gz PIBRHNIBMMLDQW-UHFFFAOYSA-N 0 0 346.408 2.266 50 30 EEEARN COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccccc2)NC(=O)N1C ZINC000012821485 462870599 /nfs/dbraw/zinc/87/05/99/462870599.db2.gz KXLROUGNDCGQHP-CQSZACIVSA-N 0 0 340.335 2.286 50 30 EEEARN C=CCNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCC2)c1=O ZINC000015001219 462938598 /nfs/dbraw/zinc/93/85/98/462938598.db2.gz CXGKYAMEYIVLND-UHFFFAOYSA-N 0 0 345.443 2.093 50 30 EEEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000015361226 462949539 /nfs/dbraw/zinc/94/95/39/462949539.db2.gz CANYQGUTWCYBDK-UHFFFAOYSA-N 0 0 342.376 2.453 50 30 EEEARN COc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1OC ZINC000016726900 462988920 /nfs/dbraw/zinc/98/89/20/462988920.db2.gz BSYOSZFLOIRECN-UHFFFAOYSA-N 0 0 346.408 2.195 50 30 EEEARN N#Cc1ccc(COC(=O)c2ccc(N3CCOCC3)nc2)c(F)c1 ZINC000021592301 463038456 /nfs/dbraw/zinc/03/84/56/463038456.db2.gz HQHNJHWGMSUCIL-UHFFFAOYSA-N 0 0 341.342 2.286 50 30 EEEARN COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2c(C)cc(C)cc2C)c1 ZINC000031805483 463355332 /nfs/dbraw/zinc/35/53/32/463355332.db2.gz ROFKEBCSNGXUIB-UHFFFAOYSA-N 0 0 338.363 2.315 50 30 EEEARN CCOCc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1 ZINC000103991224 463407121 /nfs/dbraw/zinc/40/71/21/463407121.db2.gz ZKXPONWDKACEHB-ZCXUNETKSA-N 0 0 343.383 2.078 50 30 EEEARN COCCOc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000071280677 463412164 /nfs/dbraw/zinc/41/21/64/463412164.db2.gz OOMOBJPHNAWRJF-UHFFFAOYSA-N 0 0 331.416 2.430 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000106996823 463555099 /nfs/dbraw/zinc/55/50/99/463555099.db2.gz VYPVKYZPLFKYGN-SFHVURJKSA-N 0 0 340.402 2.166 50 30 EEEARN NS(=O)(=O)c1ccc(NC=C2CCc3ccccc3C2=O)cc1 ZINC000111294480 463675206 /nfs/dbraw/zinc/67/52/06/463675206.db2.gz OLTXBZAJISCSAO-ACCUITESSA-N 0 0 328.393 2.459 50 30 EEEARN C=CCCC(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000575614781 468149335 /nfs/dbraw/zinc/14/93/35/468149335.db2.gz HKKLGOAFEWBLKE-UHFFFAOYSA-N 0 0 349.456 2.145 50 30 EEEARN C=C(C)COc1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000055405215 518618529 /nfs/dbraw/zinc/61/85/29/518618529.db2.gz BKECYANDABPJOH-IBGZPJMESA-N 0 0 344.455 2.465 50 30 EEEARN C=CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036254737 518916652 /nfs/dbraw/zinc/91/66/52/518916652.db2.gz JJJFMHRFLFKFMC-GOSISDBHSA-N 0 0 347.503 2.182 50 30 EEEARN COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(O)c1 ZINC000022123524 523772116 /nfs/dbraw/zinc/77/21/16/523772116.db2.gz FTBXUMDEZMVEEK-DIFFPNOSSA-N 0 0 334.372 2.001 50 30 EEEARN O=C(CCc1nc(-c2ccncc2)no1)NCC#Cc1ccccc1 ZINC000022416924 526645985 /nfs/dbraw/zinc/64/59/85/526645985.db2.gz NGAIVRKRBDGLSH-UHFFFAOYSA-N 0 0 332.363 2.232 50 30 EEEARN C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC001196437885 1284054054 /nfs/dbraw/zinc/05/40/54/1284054054.db2.gz IHIUVELLAPYTJV-AWEZNQCLSA-N 0 0 349.500 2.149 50 30 EEEARN C=C(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000096395116 1357951530 /nfs/dbraw/zinc/95/15/30/1357951530.db2.gz VQOPAPHAKJCJTK-UHFFFAOYSA-N 0 0 326.164 2.482 50 30 EEEARN C=CCNc1ccccc1C(=O)N1CCN(CCOCCC)CC1 ZINC000055108537 214275405 /nfs/dbraw/zinc/27/54/05/214275405.db2.gz WDNFOMZGCACNAR-UHFFFAOYSA-N 0 0 331.460 2.469 50 30 EEEARN CN(CCc1ccccn1)c1ncccc1CNC(=O)C1(C#N)CC1 ZINC000067756295 529935743 /nfs/dbraw/zinc/93/57/43/529935743.db2.gz XDNQRYLYVRAIPV-UHFFFAOYSA-N 0 0 335.411 2.075 50 30 EEEARN C=C(C)CN1C(=O)CSc2nnc(COc3ccc(OC)cc3)n21 ZINC000034809943 212989679 /nfs/dbraw/zinc/98/96/79/212989679.db2.gz UADQMDBHHANENI-UHFFFAOYSA-N 0 0 346.412 2.012 50 30 EEEARN COc1nccc(N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1C#N ZINC000072144690 216030405 /nfs/dbraw/zinc/03/04/05/216030405.db2.gz IGAVCXZDLJUKNR-CQSZACIVSA-N 0 0 340.358 2.314 50 30 EEEARN CCOC(=O)c1nn(-c2ccccc2Br)c(N)c1C#N ZINC000038537295 213213428 /nfs/dbraw/zinc/21/34/28/213213428.db2.gz ZZNNLYKYVWSFEK-UHFFFAOYSA-N 0 0 335.161 2.265 50 30 EEEARN C=CCN1c2ccccc2S/C(=C/C(=O)N[C@H](C)COC)C1=O ZINC000022318129 212290089 /nfs/dbraw/zinc/29/00/89/212290089.db2.gz UXRRNOVXJICLGD-JXCQQFQQSA-N 0 0 332.425 2.346 50 30 EEEARN C=CCN1C[C@@H](c2nc(-c3ccc4c(c3)OCCO4)c[nH]2)CC1=O ZINC000020862092 212179087 /nfs/dbraw/zinc/17/90/87/212179087.db2.gz VEZZJYNLQJFWSH-ZDUSSCGKSA-N 0 0 325.368 2.350 50 30 EEEARN N#CCCN1CCN(C2=NC(=O)/C(=C\c3ccccc3)S2)CC1 ZINC000020057790 212098828 /nfs/dbraw/zinc/09/88/28/212098828.db2.gz JZSCMVUIJWLLTO-FYWRMAATSA-N 0 0 326.425 2.188 50 30 EEEARN CCCOC[C@@H]1C[C@@]2(S/C(=N/c3ccc(C)cc3)NC2=O)C(=O)O1 ZINC000017247327 211961150 /nfs/dbraw/zinc/96/11/50/211961150.db2.gz VRJYEHGOYYFFMJ-GUYCJALGSA-N 0 0 348.424 2.326 50 30 EEEARN COC(=O)CCn1c(SCCCC#N)nc2ccccc2c1=O ZINC000007938471 210865899 /nfs/dbraw/zinc/86/58/99/210865899.db2.gz AWXLTLHZDADRSC-UHFFFAOYSA-N 0 0 331.397 2.355 50 30 EEEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3coc4ccccc4c3=O)C12 ZINC000018195730 296316907 /nfs/dbraw/zinc/31/69/07/296316907.db2.gz UCYUKFZXEDHKOG-INIZCTEOSA-N 0 0 334.335 2.407 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000006623564 210664177 /nfs/dbraw/zinc/66/41/77/210664177.db2.gz XHNPYTDJISARNI-UHFFFAOYSA-N 0 0 345.399 2.208 50 30 EEEARN COC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 ZINC000005009280 210361083 /nfs/dbraw/zinc/36/10/83/210361083.db2.gz UUDLPMLZJZCPJJ-UHFFFAOYSA-N 0 0 348.362 2.066 50 30 EEEARN CCOC(=O)CSc1nc(C#N)c(SCC(=O)OCC)s1 ZINC000004838886 210295178 /nfs/dbraw/zinc/29/51/78/210295178.db2.gz PESXHSDYAIINGR-UHFFFAOYSA-N 0 0 346.455 2.325 50 30 EEEARN C=CCNS(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739072 277872762 /nfs/dbraw/zinc/87/27/62/277872762.db2.gz OSCNNIAIAYIIPB-HZPDHXFCSA-N 0 0 338.473 2.376 50 30 EEEARN N#Cc1nccnc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000170730 462545864 /nfs/dbraw/zinc/54/58/64/462545864.db2.gz XPUUPQYWTPAMRK-UHFFFAOYSA-N 0 0 342.790 2.356 50 30 EEEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O ZINC000002326314 462592611 /nfs/dbraw/zinc/59/26/11/462592611.db2.gz TZYRJGXLSGZUGF-UHFFFAOYSA-N 0 0 338.820 2.274 50 30 EEEARN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1 ZINC000005507226 462661285 /nfs/dbraw/zinc/66/12/85/462661285.db2.gz VJEDOAFXOCILIG-UHFFFAOYSA-N 0 0 338.319 2.140 50 30 EEEARN CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000006670035 462696227 /nfs/dbraw/zinc/69/62/27/462696227.db2.gz LIFJJLTZCNDPLF-UHFFFAOYSA-N 0 0 348.428 2.414 50 30 EEEARN C[C@@H](C#N)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000007073388 462720814 /nfs/dbraw/zinc/72/08/14/462720814.db2.gz GQROCTBAPSRNFK-ZDUSSCGKSA-N 0 0 329.429 2.167 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)o1 ZINC000065430828 462770350 /nfs/dbraw/zinc/77/03/50/462770350.db2.gz VDIKSVPQXUHMNH-SFHVURJKSA-N 0 0 339.391 2.446 50 30 EEEARN CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n[nH]c1=O ZINC000008707189 462792058 /nfs/dbraw/zinc/79/20/58/462792058.db2.gz HUROIFVWKALFDJ-NSHDSACASA-N 0 0 345.428 2.362 50 30 EEEARN Cn1ccnc1SCC(=O)NCCSCc1ccccc1C#N ZINC000008724609 462793666 /nfs/dbraw/zinc/79/36/66/462793666.db2.gz VZUPVWYNAIKOTF-UHFFFAOYSA-N 0 0 346.481 2.433 50 30 EEEARN O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccc(F)cc1 ZINC000012378296 462851546 /nfs/dbraw/zinc/85/15/46/462851546.db2.gz PQAIDXXYCKVEPR-HTXNQAPBSA-N 0 0 348.399 2.293 50 30 EEEARN N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCCC2)cc1 ZINC000012797392 462870140 /nfs/dbraw/zinc/87/01/40/462870140.db2.gz SOAPAIXWOUDCDS-UHFFFAOYSA-N 0 0 349.456 2.189 50 30 EEEARN Cc1nn(CC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)c(C#N)c1C ZINC000012887844 462873165 /nfs/dbraw/zinc/87/31/65/462873165.db2.gz JOJMUWBVHZLRGB-MRXNPFEDSA-N 0 0 344.440 2.307 50 30 EEEARN COc1ccc(OC)c(NC(=S)NCCCN2CCOCC2)c1 ZINC000013522404 462894123 /nfs/dbraw/zinc/89/41/23/462894123.db2.gz CJNQRSYYHLQVEF-UHFFFAOYSA-N 0 0 339.461 2.124 50 30 EEEARN C=CCn1c(=O)[nH]c2nc3cc(-n4c(C)ccc4C)ccc3nc2c1=O ZINC000013550926 462895766 /nfs/dbraw/zinc/89/57/66/462895766.db2.gz MIOZRJDOTFBAEE-UHFFFAOYSA-N 0 0 347.378 2.227 50 30 EEEARN N#Cc1c(CSc2nnc(C(F)(F)F)n2N)cn2ccccc12 ZINC000014728662 462931647 /nfs/dbraw/zinc/93/16/47/462931647.db2.gz UJSFAQSVKDRRLP-UHFFFAOYSA-N 0 0 338.318 2.427 50 30 EEEARN C#CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049031830 462950921 /nfs/dbraw/zinc/95/09/21/462950921.db2.gz DLXNMEMQLFXDLN-CYBMUJFWSA-N 0 0 327.833 2.391 50 30 EEEARN Cc1ccc(O)c(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)c1 ZINC000077377015 462975429 /nfs/dbraw/zinc/97/54/29/462975429.db2.gz XGPYWBRXNKKDLL-UHFFFAOYSA-N 0 0 335.363 2.061 50 30 EEEARN CC(=O)CC(=O)NC(=NC1CCCCC1)Nc1nc(C)cc(C)n1 ZINC000018266492 463010534 /nfs/dbraw/zinc/01/05/34/463010534.db2.gz LYUMDQDEDRWPLW-UHFFFAOYSA-N 0 0 331.420 2.289 50 30 EEEARN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000025119318 463110715 /nfs/dbraw/zinc/11/07/15/463110715.db2.gz YNVXMEBZUGWIEM-INIZCTEOSA-N 0 0 337.379 2.414 50 30 EEEARN CCCCCCCCn1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000096019928 463141798 /nfs/dbraw/zinc/14/17/98/463141798.db2.gz GCEHGEVGSMPSSQ-UHFFFAOYSA-N 0 0 345.447 2.355 50 30 EEEARN N#Cc1ccc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000096365451 463236219 /nfs/dbraw/zinc/23/62/19/463236219.db2.gz HSPNNLNBEXSNSE-KRWDZBQOSA-N 0 0 340.404 2.247 50 30 EEEARN C[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1cc(C#N)ccc1F ZINC000030382583 463297323 /nfs/dbraw/zinc/29/73/23/463297323.db2.gz BXKIEXMBQNOOKR-GFCCVEGCSA-N 0 0 325.409 2.248 50 30 EEEARN CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc1C ZINC000032672378 463386821 /nfs/dbraw/zinc/38/68/21/463386821.db2.gz WXSBRYFKKCFKOD-GXTWGEPZSA-N 0 0 347.440 2.240 50 30 EEEARN C[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000104055702 463408168 /nfs/dbraw/zinc/40/81/68/463408168.db2.gz XHGRMCOCANZHEW-JSGCOSHPSA-N 0 0 334.335 2.068 50 30 EEEARN C[C@@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000106053953 463504333 /nfs/dbraw/zinc/50/43/33/463504333.db2.gz BVUVBEGZQGRPAK-NWDGAFQWSA-N 0 0 333.457 2.404 50 30 EEEARN N#Cc1cccc(C(=O)N2CCC(CCN3CCCC3=O)CC2)c1 ZINC000082091804 463513096 /nfs/dbraw/zinc/51/30/96/463513096.db2.gz DZBMWXGDSWUAHB-UHFFFAOYSA-N 0 0 325.412 2.423 50 30 EEEARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000109760879 463649566 /nfs/dbraw/zinc/64/95/66/463649566.db2.gz GILXXRKIRBKCBX-MJGOQNOKSA-N 0 0 336.391 2.333 50 30 EEEARN Cc1cccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000238826135 464437706 /nfs/dbraw/zinc/43/77/06/464437706.db2.gz DUJHQILNAUBGGZ-OAHLLOKOSA-N 0 0 343.408 2.104 50 30 EEEARN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Br ZINC000281635535 464529339 /nfs/dbraw/zinc/52/93/39/464529339.db2.gz XVHUACIYWNPUSU-RNCFNFMXSA-N 0 0 342.237 2.446 50 30 EEEARN C=C(C)COc1ccccc1CN1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000055284847 518621538 /nfs/dbraw/zinc/62/15/38/518621538.db2.gz ARPNAPHKPXWSIM-UHFFFAOYSA-N 0 0 340.427 2.459 50 30 EEEARN C=CCN1C(=O)C(=CNc2ccc(O)cc2)C(=O)N(CCCC)C1=O ZINC000006890873 518823504 /nfs/dbraw/zinc/82/35/04/518823504.db2.gz BMTFFTLTQAIZCT-QINSGFPZSA-N 0 0 343.383 2.465 50 30 EEEARN C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(C)cc1 ZINC000000205663 519196087 /nfs/dbraw/zinc/19/60/87/519196087.db2.gz OHEMJXWFOAUWGG-UHFFFAOYSA-N 0 0 330.413 2.051 50 30 EEEARN C=CCn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccccc1 ZINC000003485266 519200418 /nfs/dbraw/zinc/20/04/18/519200418.db2.gz RZBPRSZAIAOVDQ-UHFFFAOYSA-N 0 0 342.424 2.372 50 30 EEEARN Cc1[nH]c(=S)sc1CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130326689 534522595 /nfs/dbraw/zinc/52/25/95/534522595.db2.gz HKMDLPDDKRVAAA-UHFFFAOYSA-N 0 0 345.449 2.444 50 30 EEEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OC)C(=O)NC1=S ZINC000004723756 210260105 /nfs/dbraw/zinc/26/01/05/210260105.db2.gz XVDHJOLUGAGKFM-DHZHZOJOSA-N 0 0 336.800 2.161 50 30 EEEARN N#CCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004706287 210255130 /nfs/dbraw/zinc/25/51/30/210255130.db2.gz RQKHLSGJGSNWLB-UHFFFAOYSA-N 0 0 330.365 2.325 50 30 EEEARN CCCCCCCn1c(C)c(C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000097993313 219066660 /nfs/dbraw/zinc/06/66/60/219066660.db2.gz PVGMDASWTXEIPK-UHFFFAOYSA-N 0 0 345.447 2.274 50 30 EEEARN CCOc1cc(C=NNC(=N)N)ccc1OC(=O)c1ccc(C)cc1 ZINC000004151798 210133334 /nfs/dbraw/zinc/13/33/34/210133334.db2.gz JOIUJCWBOIUFFG-SRZZPIQSSA-N 0 0 340.383 2.220 50 30 EEEARN Cc1cc(C(F)(F)F)nn1CC(=N)NOC(=O)c1ccc(F)cc1 ZINC000036612071 213101921 /nfs/dbraw/zinc/10/19/21/213101921.db2.gz PWDIENWIYHUEIJ-UHFFFAOYSA-N 0 0 344.268 2.479 50 30 EEEARN C=CCn1c(NCc2ccccc2OC)nc2c(C)nn(C)c2c1=O ZINC000032652638 212823380 /nfs/dbraw/zinc/82/33/80/212823380.db2.gz LVUSGCNFYUPJNI-UHFFFAOYSA-N 0 0 339.399 2.245 50 30 EEEARN CCOc1cccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1O ZINC000000086504 209411386 /nfs/dbraw/zinc/41/13/86/209411386.db2.gz WCCPHRRPXXXUIR-VCHYOVAHSA-N 0 0 340.387 2.376 50 30 EEEARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc[nH]n1)c1ccco1 ZINC000023142545 212354634 /nfs/dbraw/zinc/35/46/34/212354634.db2.gz FAHZVESDVCGCEP-LBPRGKRZSA-N 0 0 325.328 2.027 50 30 EEEARN Cc1nc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)cs1 ZINC000218961997 241356093 /nfs/dbraw/zinc/35/60/93/241356093.db2.gz YSZMTRMDMMTTKJ-GDBMZVCRSA-N 0 0 343.408 2.290 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000021959812 212265962 /nfs/dbraw/zinc/26/59/62/212265962.db2.gz ZURYVCLQVQAOTN-UHFFFAOYSA-N 0 0 347.418 2.451 50 30 EEEARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(C#N)CCCC1 ZINC000020962389 212193598 /nfs/dbraw/zinc/19/35/98/212193598.db2.gz RFSQPVXQRROJRC-UHFFFAOYSA-N 0 0 335.429 2.268 50 30 EEEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCOCC3)sc2C1 ZINC000020581433 212149845 /nfs/dbraw/zinc/14/98/45/212149845.db2.gz SOINWEPNXJHKQT-GFCCVEGCSA-N 0 0 333.457 2.405 50 30 EEEARN COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 ZINC000020133340 212104097 /nfs/dbraw/zinc/10/40/97/212104097.db2.gz VPOQOXJAOXLUEX-UHFFFAOYSA-N 0 0 342.399 2.356 50 30 aggregator EEEARN N#Cc1cc2c(N)c(C(=O)c3ccc4c(c3)OCO4)sc2nc1N ZINC000020000487 212093728 /nfs/dbraw/zinc/09/37/28/212093728.db2.gz MZEWQVBZCYRDQU-UHFFFAOYSA-N 0 0 338.348 2.292 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000012343821 211352308 /nfs/dbraw/zinc/35/23/08/211352308.db2.gz PXAGSHVBOFMJFB-UHFFFAOYSA-N 0 0 341.392 2.275 50 30 EEEARN COCCN1CCC[C@@]2(CCN(c3cc(C)c(C#N)c(C)n3)C2)C1=O ZINC000095382310 218314953 /nfs/dbraw/zinc/31/49/53/218314953.db2.gz DGHYYLPJTVPEFM-IBGZPJMESA-N 0 0 342.443 2.035 50 30 EEEARN C#Cc1cccc(NC(=O)CSCC(=O)Nc2cc(C)on2)c1 ZINC000012950066 258017142 /nfs/dbraw/zinc/01/71/42/258017142.db2.gz WWGOINFRCIATRC-UHFFFAOYSA-N 0 0 329.381 2.275 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000012765282 258017160 /nfs/dbraw/zinc/01/71/60/258017160.db2.gz GZFSAGHCANKVSN-AATRIKPKSA-N 0 0 349.441 2.141 50 30 EEEARN N#Cc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 ZINC000299767559 258082155 /nfs/dbraw/zinc/08/21/55/258082155.db2.gz IIVFTGMJBNNACK-UHFFFAOYSA-N 0 0 345.410 2.173 50 30 EEEARN C=CCN1C(=O)/C(=C2\c3cc(OC)ccc3NC2=O)SC1=S ZINC000012437121 275426702 /nfs/dbraw/zinc/42/67/02/275426702.db2.gz TWZXRUPWLFNGOE-QXMHVHEDSA-N 0 0 332.406 2.405 50 30 EEEARN CC(=O)NC1=C(N2CCc3ccccc3C2)C(=O)c2ccccc2C1=O ZINC000004601689 275476962 /nfs/dbraw/zinc/47/69/62/275476962.db2.gz UTOBULXPJLZFJE-UHFFFAOYSA-N 0 0 346.386 2.472 50 30 EEEARN COc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000084553 462541319 /nfs/dbraw/zinc/54/13/19/462541319.db2.gz FHBLLJJKIXOVTC-GZTJUZNOSA-N 0 0 329.381 2.110 50 30 EEEARN NC(=O)C1CCN(C(=O)c2cccc(C#Cc3ccccc3)c2)CC1 ZINC000000229435 462550066 /nfs/dbraw/zinc/55/00/66/462550066.db2.gz BADGEKLDZMXLKN-UHFFFAOYSA-N 0 0 332.403 2.424 50 30 EEEARN NC(=O)c1ccccc1OCC#CCNC(=O)c1ccccc1Cl ZINC000085558739 462553031 /nfs/dbraw/zinc/55/30/31/462553031.db2.gz QIERHPPWBTYUHM-UHFFFAOYSA-N 0 0 342.782 2.251 50 30 EEEARN C=CCn1c(C)c(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 ZINC000000444323 462563733 /nfs/dbraw/zinc/56/37/33/462563733.db2.gz LVBFISRNKUSKHO-UHFFFAOYSA-N 0 0 325.393 2.050 50 30 EEEARN O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000000442581 462563748 /nfs/dbraw/zinc/56/37/48/462563748.db2.gz OCTXGVIUUIMAHQ-NTUHNPAUSA-N 0 0 329.721 2.154 50 30 EEEARN COc1ccc(Cl)cc1C(=O)OCC(=O)NC1(C#N)CCCC1 ZINC000004581048 462635109 /nfs/dbraw/zinc/63/51/09/462635109.db2.gz FDMYDNDRCKMGDU-UHFFFAOYSA-N 0 0 336.775 2.458 50 30 EEEARN C/N=C1/S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C ZINC000005764648 462668386 /nfs/dbraw/zinc/66/83/86/462668386.db2.gz NPTDQXSUQZRHQJ-WVTXTPTHSA-N 0 0 335.404 2.194 50 30 EEEARN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000066088231 462850918 /nfs/dbraw/zinc/85/09/18/462850918.db2.gz HNZHSBFVTBGNQG-LJQANCHMSA-N 0 0 335.315 2.394 50 30 EEEARN N#Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 ZINC000012814752 462869796 /nfs/dbraw/zinc/86/97/96/462869796.db2.gz DASVECDMRNYDHN-UHFFFAOYSA-N 0 0 330.347 2.416 50 30 EEEARN COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccccc2)NC(=S)N1 ZINC000012821490 462871514 /nfs/dbraw/zinc/87/15/14/462871514.db2.gz QAXPJVWIAQRMEE-ZDUSSCGKSA-N 0 0 342.376 2.108 50 30 EEEARN CS/C(=N\S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 ZINC000013464492 462892764 /nfs/dbraw/zinc/89/27/64/462892764.db2.gz OAHNXMKHRCMVBH-LFIBNONCSA-N 0 0 334.426 2.113 50 30 EEEARN C[C@H](Sc1nc2ncccn2n1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000014093053 462910383 /nfs/dbraw/zinc/91/03/83/462910383.db2.gz PDQJTCOXPHGRQK-LBPRGKRZSA-N 0 0 344.444 2.290 50 30 EEEARN C=CCOc1c(Br)cc(C=Nn2cnnc2)cc1OC ZINC000014137736 462913875 /nfs/dbraw/zinc/91/38/75/462913875.db2.gz BZKSQARJWZGPJX-UHFFFAOYSA-N 0 0 337.177 2.496 50 30 EEEARN CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)n[nH]c1=O ZINC000014244027 462922081 /nfs/dbraw/zinc/92/20/81/462922081.db2.gz BBVFEZNGNBTFEA-LLVKDONJSA-N 0 0 345.428 2.362 50 30 EEEARN C#Cc1cccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000014977539 462937068 /nfs/dbraw/zinc/93/70/68/462937068.db2.gz UEMKLKVEKZRRIO-IBGZPJMESA-N 0 0 332.403 2.241 50 30 EEEARN COc1cccc(/C=N\NS(=O)(=O)c2ccc(C)cc2C)c1O ZINC000017068798 462993801 /nfs/dbraw/zinc/99/38/01/462993801.db2.gz LNBYRTJNNMDSRH-YVLHZVERSA-N 0 0 334.397 2.330 50 30 EEEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000019810873 463022537 /nfs/dbraw/zinc/02/25/37/463022537.db2.gz WWTVPUGEDOBCAH-OAHLLOKOSA-N 0 0 332.312 2.329 50 30 EEEARN Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCCC2 ZINC000020591565 463029419 /nfs/dbraw/zinc/02/94/19/463029419.db2.gz CDSJMDKASRJZLP-UHFFFAOYSA-N 0 0 326.444 2.445 50 30 EEEARN Cc1cc(C)c(C#N)c(N2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC000026776239 463171477 /nfs/dbraw/zinc/17/14/77/463171477.db2.gz CLUMBKMSYYBWIO-UHFFFAOYSA-N 0 0 340.349 2.465 50 30 EEEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000029756503 463272408 /nfs/dbraw/zinc/27/24/08/463272408.db2.gz GXJLFCANDWFEKA-LLVKDONJSA-N 0 0 342.424 2.409 50 30 EEEARN N#CCC[C@H](C#N)CN1CCN(c2ccc(Br)cn2)CC1 ZINC000030536522 463302374 /nfs/dbraw/zinc/30/23/74/463302374.db2.gz NCXBWBQSTYIQJE-CYBMUJFWSA-N 0 0 348.248 2.410 50 30 EEEARN C=C(C)CN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000030769000 463311792 /nfs/dbraw/zinc/31/17/92/463311792.db2.gz WBAXZRMNDSSOQF-UHFFFAOYSA-N 0 0 334.416 2.046 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)cc1OC ZINC000104257915 463410248 /nfs/dbraw/zinc/41/02/48/463410248.db2.gz OGAYGSLLFMFKSX-LYASGUKUSA-N 0 0 342.395 2.438 50 30 EEEARN CC1(C)C[C@H](CN2CCN(c3ccccc3C#N)C(=O)C2)CCO1 ZINC000082137629 463518875 /nfs/dbraw/zinc/51/88/75/463518875.db2.gz CPTMEQULMYTALZ-OAHLLOKOSA-N 0 0 327.428 2.412 50 30 EEEARN CC(C)c1nnsc1CN1CCN(c2ncccc2C#N)CC1 ZINC000241081846 464449142 /nfs/dbraw/zinc/44/91/42/464449142.db2.gz YQZLICZOMJMMBD-UHFFFAOYSA-N 0 0 328.445 2.250 50 30 EEEARN C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000670459828 485651734 /nfs/dbraw/zinc/65/17/34/485651734.db2.gz MKMBHYTUYBMLNG-CQSZACIVSA-N 0 0 326.400 2.269 50 30 EEEARN C=CCNc1nc(C(=O)OCC(=O)N2C[C@H](C)C[C@H](C)C2)cs1 ZINC000003508506 518963145 /nfs/dbraw/zinc/96/31/45/518963145.db2.gz HXKCSQKCQMZFKQ-TXEJJXNPSA-N 0 0 337.445 2.402 50 30 EEEARN C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1ccccc1 ZINC000000798420 519195551 /nfs/dbraw/zinc/19/55/51/519195551.db2.gz ZRWIIVQZFBKGFP-LLVKDONJSA-N 0 0 330.413 2.131 50 30 EEEARN C[C@H](C(=O)[O-])[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001889291 526187034 /nfs/dbraw/zinc/18/70/34/526187034.db2.gz BYJAGIXHOZUBME-MRVPVSSYSA-O 0 0 329.163 2.006 50 30 EEEARN CCOC(=O)C1CCN(/C=C2/Oc3c(ccc(O)c3C)C2=O)CC1 ZINC000103025086 1358320052 /nfs/dbraw/zinc/32/00/52/1358320052.db2.gz ROTHPNSAWZJWFA-XNTDXEJSSA-N 0 0 331.368 2.392 50 30 EEEARN CN(C)[C@H](CNC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccco1 ZINC000952972097 796112285 /nfs/dbraw/zinc/11/22/85/796112285.db2.gz ZHJWVOQGDDHZAJ-CQSZACIVSA-N 0 0 330.384 2.028 50 30 EEEARN C#CCOc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 ZINC000004472352 210197427 /nfs/dbraw/zinc/19/74/27/210197427.db2.gz VYONJIJFIDSKHV-ZTMOJVSCSA-N 0 0 345.376 2.296 50 30 EEEARN CC(=O)Nc1cccc(N2CC(=O)C(c3nc(C)cs3)=C2N)c1 ZINC000013691993 201909963 /nfs/dbraw/zinc/90/99/63/201909963.db2.gz RGRZSBXFWRNEJF-UHFFFAOYSA-N 0 0 328.397 2.127 50 30 EEEARN C#CCN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O ZINC000001139644 209713259 /nfs/dbraw/zinc/71/32/59/209713259.db2.gz VPEFCNNHCRZQBW-NTEUORMPSA-N 0 0 333.365 2.382 50 30 EEEARN N#CCCN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1 ZINC000020725486 202053920 /nfs/dbraw/zinc/05/39/20/202053920.db2.gz PYSKRYZIAWMFDU-INIZCTEOSA-N 0 0 346.818 2.478 50 30 EEEARN Cn1c(Oc2ccc(Cl)c(Cl)c2)c(C#N)c(=O)n(C)c1=O ZINC000022194243 202080818 /nfs/dbraw/zinc/08/08/18/202080818.db2.gz APGHSNCNACEJKX-UHFFFAOYSA-N 0 0 326.139 2.055 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N\NC(N)=S)cc1 ZINC000034983118 202281902 /nfs/dbraw/zinc/28/19/02/202281902.db2.gz LMZYTKFNDDSMAK-NVMNQCDNSA-N 0 0 341.352 2.426 50 30 EEEARN N#Cc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218578535 241333151 /nfs/dbraw/zinc/33/31/51/241333151.db2.gz QBTNXCOPPFPRNP-HZPDHXFCSA-N 0 0 343.408 2.119 50 30 EEEARN N#Cc1cccc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 ZINC000071775602 203112133 /nfs/dbraw/zinc/11/21/33/203112133.db2.gz OWCRCIRJBITPKD-CQSZACIVSA-N 0 0 346.394 2.211 50 30 EEEARN N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091504253 203636839 /nfs/dbraw/zinc/63/68/39/203636839.db2.gz JPBIXJQBQBBDBQ-GOEBONIOSA-N 0 0 333.395 2.089 50 30 EEEARN O=C1CCCC2=Nc3nonc3N[C@@H](c3ccc4c(c3)OCCO4)C12 ZINC000012409452 211372485 /nfs/dbraw/zinc/37/24/85/211372485.db2.gz QIJWUMSUQZHLKF-HNNXBMFYSA-N 0 0 340.339 2.427 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005853843 210548954 /nfs/dbraw/zinc/54/89/54/210548954.db2.gz ZUGMGVJZIZVRCF-OAHLLOKOSA-N 0 0 348.424 2.226 50 30 EEEARN C=CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc32)C(=O)NC1=S ZINC000013546648 258017625 /nfs/dbraw/zinc/01/76/25/258017625.db2.gz OIFKVTYXFHRYIP-LCYFTJDESA-N 0 0 325.393 2.289 50 30 EEEARN C=CCOC(=O)[C@]12C[C@@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O ZINC000002077997 277873712 /nfs/dbraw/zinc/87/37/12/277873712.db2.gz OXEJIIKLRXTAFZ-OLMNPRSZSA-N 0 0 330.336 2.130 50 30 EEEARN COc1cc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)cc(OC)c1O ZINC000018195939 295020459 /nfs/dbraw/zinc/02/04/59/295020459.db2.gz OCDCSLQRLNJUAL-OAHLLOKOSA-N 0 0 342.355 2.023 50 30 EEEARN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003611185 462624844 /nfs/dbraw/zinc/62/48/44/462624844.db2.gz YSNNHCCNMYAABP-UHFFFAOYSA-N 0 0 342.420 2.354 50 30 EEEARN N#Cc1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000005261962 462653368 /nfs/dbraw/zinc/65/33/68/462653368.db2.gz HBIBBLCMYCXTAG-UHFFFAOYSA-N 0 0 335.772 2.111 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(O)c(OCC)c1 ZINC000006354934 462683406 /nfs/dbraw/zinc/68/34/06/462683406.db2.gz ZEHULFQJBGLOSZ-HNNXBMFYSA-N 0 0 348.424 2.313 50 30 EEEARN CCOc1ccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)cc1 ZINC000007204442 462725089 /nfs/dbraw/zinc/72/50/89/462725089.db2.gz GEEDAKKYLIKHFO-SNVBAGLBSA-N 0 0 343.412 2.448 50 30 EEEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2 ZINC000007276669 462728130 /nfs/dbraw/zinc/72/81/30/462728130.db2.gz XVRMQSDOQVSPLG-GFCCVEGCSA-N 0 0 340.408 2.451 50 30 EEEARN N#Cc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000012866832 462873362 /nfs/dbraw/zinc/87/33/62/462873362.db2.gz HKXVFSBVDSVWLI-UHFFFAOYSA-N 0 0 327.428 2.323 50 30 EEEARN C=CCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000012992950 462880227 /nfs/dbraw/zinc/88/02/27/462880227.db2.gz AGNBCDLPSVXPJX-GOSISDBHSA-N 0 0 328.368 2.103 50 30 EEEARN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CC[C@@]1(O)C1CCOCC1 ZINC000091819654 462909003 /nfs/dbraw/zinc/90/90/03/462909003.db2.gz RHXFPGOAALUORG-KUHUBIRLSA-N 0 0 328.412 2.198 50 30 EEEARN COCCn1ccnc1[C@H]1CCCN(c2ccnc(OC)c2C#N)C1 ZINC000091964985 462916581 /nfs/dbraw/zinc/91/65/81/462916581.db2.gz JFXVCNYWMREGRU-AWEZNQCLSA-N 0 0 341.415 2.189 50 30 EEEARN C=CCc1ccccc1OC[C@H](O)CSc1nnnn1C1CC1 ZINC000014238406 462920063 /nfs/dbraw/zinc/92/00/63/462920063.db2.gz UFVGYWDBVDJDGO-AWEZNQCLSA-N 0 0 332.429 2.269 50 30 EEEARN NC1=C(c2ccccc2)C(=O)CN1CCc1ccc2c(c1)OCCO2 ZINC000014241042 462921037 /nfs/dbraw/zinc/92/10/37/462921037.db2.gz OODPCCNVOIITFW-UHFFFAOYSA-N 0 0 336.391 2.213 50 30 EEEARN COc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000025234200 463113753 /nfs/dbraw/zinc/11/37/53/463113753.db2.gz CHDWSFRCIYVGRX-UHFFFAOYSA-N 0 0 337.383 2.316 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1 ZINC000027133864 463182760 /nfs/dbraw/zinc/18/27/60/463182760.db2.gz BBKOOLRGQOXVKP-UHFFFAOYSA-N 0 0 332.407 2.334 50 30 EEEARN C[C@@H]1CN(C(C)(C)CNC(=O)NCC#Cc2ccccc2)C[C@H](C)O1 ZINC000032802841 463395494 /nfs/dbraw/zinc/39/54/94/463395494.db2.gz VFSMSXQRIRSHGO-CALCHBBNSA-N 0 0 343.471 2.225 50 30 EEEARN N#Cc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2 ZINC000040267113 463453945 /nfs/dbraw/zinc/45/39/45/463453945.db2.gz VKTDJKJGUTXUAJ-UHFFFAOYSA-N 0 0 349.325 2.092 50 30 EEEARN CSc1nn(-c2ccccc2)c(NC(=O)c2ccnn2C)c1C#N ZINC000125814816 463581587 /nfs/dbraw/zinc/58/15/87/463581587.db2.gz WUJQCCPHCSARJM-UHFFFAOYSA-N 0 0 338.396 2.452 50 30 EEEARN Cc1nccn1CCCNC(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000215681842 464107325 /nfs/dbraw/zinc/10/73/25/464107325.db2.gz DBPYTBFHJIFJHL-UHFFFAOYSA-N 0 0 325.412 2.134 50 30 EEEARN C=C(C)COc1ccc(C(=O)NCCCc2nnc(N)s2)cc1 ZINC000055369436 518613493 /nfs/dbraw/zinc/61/34/93/518613493.db2.gz VUNBVZWPNDHMIF-UHFFFAOYSA-N 0 0 332.429 2.438 50 30 EEEARN N#Cc1nccnc1N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC001772819079 1410372981 /nfs/dbraw/zinc/37/29/81/1410372981.db2.gz PITIEIZAXVMQTB-KRWDZBQOSA-N 0 0 347.422 2.117 50 30 EEEARN C=CCOc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000820494625 798580561 /nfs/dbraw/zinc/58/05/61/798580561.db2.gz XJDQLPACIDPQBP-UHFFFAOYSA-N 0 0 340.379 2.443 50 30 EEEARN C=CCOc1cccc(CN(CC)C(=O)[C@H]2CCCN2C(N)=O)c1 ZINC000055392889 214316983 /nfs/dbraw/zinc/31/69/83/214316983.db2.gz GPWNSCJTRGXEDV-MRXNPFEDSA-N 0 0 331.416 2.143 50 30 EEEARN Cc1nonc1[C@H]1CCCN1C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000065382662 214882690 /nfs/dbraw/zinc/88/26/90/214882690.db2.gz PVATXPYJGSAXHS-MRXNPFEDSA-N 0 0 339.395 2.478 50 30 EEEARN C[C@@H](NC(=O)COCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000009833632 201788784 /nfs/dbraw/zinc/78/87/84/201788784.db2.gz BGWQXYPZTWKCGH-CQSZACIVSA-N 0 0 337.379 2.391 50 30 EEEARN CN(Cc1ccccc1C#N)S(=O)(=O)Cc1ccccc1C#N ZINC000012733811 201862445 /nfs/dbraw/zinc/86/24/45/201862445.db2.gz IMHLMFIFLRTSLF-UHFFFAOYSA-N 0 0 325.393 2.392 50 30 EEEARN CC[C@@H]1Cc2c(nc(N)c3c(N)nc(N(CC)CC)c(C#N)c23)O1 ZINC000020268334 202037008 /nfs/dbraw/zinc/03/70/08/202037008.db2.gz NXOFKTRYGXSRCY-SECBINFHSA-N 0 0 326.404 2.226 50 30 EEEARN CC(C)N1CCc2c(C#N)c(NCc3cccnc3)n3cnnc3c2C1 ZINC000020713829 202052750 /nfs/dbraw/zinc/05/27/50/202052750.db2.gz MQBVBHYBZATCAB-UHFFFAOYSA-N 0 0 347.426 2.375 50 30 EEEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O ZINC000024092198 202112063 /nfs/dbraw/zinc/11/20/63/202112063.db2.gz OELYWZVAXZUVNA-QFBILLFUSA-N 0 0 335.363 2.059 50 30 EEEARN CN(Cc1cccc(C#N)c1)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000025104568 202126897 /nfs/dbraw/zinc/12/68/97/202126897.db2.gz WMEXWQJJJDAQOZ-UHFFFAOYSA-N 0 0 349.390 2.480 50 30 EEEARN N#Cc1ccccc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000008186632 283214427 /nfs/dbraw/zinc/21/44/27/283214427.db2.gz DEDQEXNCRCRVBO-IBGZPJMESA-N 0 0 333.347 2.288 50 30 EEEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000070636809 202336735 /nfs/dbraw/zinc/33/67/35/202336735.db2.gz HMLOQLVHRWHRNO-OAHLLOKOSA-N 0 0 349.818 2.208 50 30 EEEARN COCCCN1C[C@]2(CCCN(c3cccc(C#N)n3)C2)CCC1=O ZINC000072433415 216228468 /nfs/dbraw/zinc/22/84/68/216228468.db2.gz WQMBKTYHIZMJCW-LJQANCHMSA-N 0 0 342.443 2.199 50 30 EEEARN Nc1nnnn1/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000000317932 201460804 /nfs/dbraw/zinc/46/08/04/201460804.db2.gz DQKJDWOTDLCGGM-VIZOYTHASA-N 0 0 333.149 2.160 50 30 EEEARN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 ZINC000426581016 241310587 /nfs/dbraw/zinc/31/05/87/241310587.db2.gz MOOILBWYIQLUEF-SFHVURJKSA-N 0 0 348.406 2.361 50 30 EEEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nnc(N)s1 ZINC000003527801 201575593 /nfs/dbraw/zinc/57/55/93/201575593.db2.gz ONVZPYKRUBNELP-UHFFFAOYSA-N 0 0 331.382 2.469 50 30 EEEARN CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCC(=O)N1CC1CC1 ZINC000072146533 203172005 /nfs/dbraw/zinc/17/20/05/203172005.db2.gz AJPFLZBAZXFQTF-KRWDZBQOSA-N 0 0 340.427 2.062 50 30 EEEARN COc1nccc(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c1C#N ZINC000072167104 203178852 /nfs/dbraw/zinc/17/88/52/203178852.db2.gz BVOBOHKHCXJBMK-HNNXBMFYSA-N 0 0 348.406 2.142 50 30 EEEARN C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CCCC ZINC000015867606 211866037 /nfs/dbraw/zinc/86/60/37/211866037.db2.gz QVVPOKLZACDHPX-UHFFFAOYSA-N 0 0 335.429 2.330 50 30 EEEARN C=CCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[nH]c1=O ZINC000009095252 211038910 /nfs/dbraw/zinc/03/89/10/211038910.db2.gz VDYIURGUFPBBGO-UHFFFAOYSA-N 0 0 340.427 2.142 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccccc1C ZINC000006741824 258044140 /nfs/dbraw/zinc/04/41/40/258044140.db2.gz IFCOPBBXDWGZKC-GFCCVEGCSA-N 0 0 332.429 2.490 50 30 EEEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cnn(C)c1C ZINC000002759361 285670126 /nfs/dbraw/zinc/67/01/26/285670126.db2.gz ADZDUNRLNGCZIL-MRXNPFEDSA-N 0 0 329.400 2.260 50 30 EEEARN CC(=O)ON1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000047417 278220202 /nfs/dbraw/zinc/22/02/02/278220202.db2.gz RDEPFWDLDPALOY-FOIPXRHGSA-N 0 0 333.343 2.357 50 30 EEEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(N)=O)cnn32)cc1 ZINC000040268215 295246964 /nfs/dbraw/zinc/24/69/64/295246964.db2.gz BBORYZMHFAFQKL-INIZCTEOSA-N 0 0 338.367 2.013 50 30 EEEARN C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000000472535 462565364 /nfs/dbraw/zinc/56/53/64/462565364.db2.gz NZDVNTRLDKNYCP-LBPRGKRZSA-N 0 0 344.440 2.439 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000203808 462547633 /nfs/dbraw/zinc/54/76/33/462547633.db2.gz CASIIJPPNUDTTI-ZDUSSCGKSA-N 0 0 344.323 2.059 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000381170 462558316 /nfs/dbraw/zinc/55/83/16/462558316.db2.gz AGBBFQVUQLAPOB-DZGCQCFKSA-N 0 0 346.339 2.058 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccc(C)c(C)c2)c(=O)c1C#N ZINC000000583001 462571232 /nfs/dbraw/zinc/57/12/32/462571232.db2.gz IQMACIAVUNSRPX-UHFFFAOYSA-N 0 0 339.395 2.430 50 30 EEEARN CCN(CC)C(=O)c1sc(NC(=O)c2cnccn2)c(C#N)c1C ZINC000002754675 462600545 /nfs/dbraw/zinc/60/05/45/462600545.db2.gz SCLIPPDCUSZIHX-UHFFFAOYSA-N 0 0 343.412 2.453 50 30 EEEARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(C#N)cc3)c(=N)oc12 ZINC000003911058 462626600 /nfs/dbraw/zinc/62/66/00/462626600.db2.gz UXBFYGZGQHXBDR-UHFFFAOYSA-N 0 0 334.335 2.232 50 30 EEEARN COc1ccc(NC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000004699041 462636711 /nfs/dbraw/zinc/63/67/11/462636711.db2.gz PYKTYWMZRZQHSO-UHFFFAOYSA-N 0 0 339.351 2.161 50 30 EEEARN N#Cc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000007708619 462747456 /nfs/dbraw/zinc/74/74/56/462747456.db2.gz LONDILBBINQNQD-UHFFFAOYSA-N 0 0 341.392 2.486 50 30 EEEARN C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000007986072 462761661 /nfs/dbraw/zinc/76/16/61/462761661.db2.gz RRNOKWIBOZCHGI-UHFFFAOYSA-N 0 0 345.182 2.091 50 30 EEEARN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000008225313 462774340 /nfs/dbraw/zinc/77/43/40/462774340.db2.gz BDXZQPYMNUGYAU-GFCCVEGCSA-N 0 0 344.392 2.369 50 30 EEEARN C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O ZINC000008940364 462797563 /nfs/dbraw/zinc/79/75/63/462797563.db2.gz ZYSHWUIFQWQGSC-SCLBCKFNSA-N 0 0 327.384 2.438 50 30 EEEARN COc1ccc(S(=O)(=O)CC(=O)Nc2sccc2C#N)cc1 ZINC000010219382 462814677 /nfs/dbraw/zinc/81/46/77/462814677.db2.gz JCIWQQHFQSFGQS-UHFFFAOYSA-N 0 0 336.394 2.041 50 30 EEEARN O=c1[nH][nH]c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000012347307 462852114 /nfs/dbraw/zinc/85/21/14/462852114.db2.gz PMMFXJFYXXOESY-CYBMUJFWSA-N 0 0 325.324 2.409 50 30 EEEARN O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1cccs1 ZINC000012732433 462864679 /nfs/dbraw/zinc/86/46/79/462864679.db2.gz LXCQOWMXWYETJC-FOCLMDBBSA-N 0 0 336.438 2.216 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1ccncc1)CC2 ZINC000092077459 462925119 /nfs/dbraw/zinc/92/51/19/462925119.db2.gz DJHNIHIDJVCBFX-UHFFFAOYSA-N 0 0 341.455 2.431 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000018222878 463009265 /nfs/dbraw/zinc/00/92/65/463009265.db2.gz GTLOOFUDHJMZNT-UHFFFAOYSA-N 0 0 349.434 2.166 50 30 EEEARN C=CCNC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000020767885 463030496 /nfs/dbraw/zinc/03/04/96/463030496.db2.gz RUPSRGHVDYBASB-UHFFFAOYSA-N 0 0 329.356 2.478 50 30 EEEARN C=CCN(Cc1cccs1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000014200729 518790374 /nfs/dbraw/zinc/79/03/74/518790374.db2.gz RUSCDHXJHYTGKG-UHFFFAOYSA-N 0 0 330.409 2.441 50 30 EEEARN COc1ccc(CNC(=S)N/N=C/c2ccc(O)c(OC)c2)cc1 ZINC000008691538 524068603 /nfs/dbraw/zinc/06/86/03/524068603.db2.gz HABWHUDXHLRKMI-YBFXNURJSA-N 0 0 345.424 2.408 50 30 EEEARN C=C(C)COc1ccccc1C(=O)NCCc1cc(=O)[nH]c(C)n1 ZINC000055309728 214305498 /nfs/dbraw/zinc/30/54/98/214305498.db2.gz IQGBDTKAARVXNZ-UHFFFAOYSA-N 0 0 327.384 2.006 50 30 EEEARN C=CCN(CC=C)C(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O ZINC000004435369 210191899 /nfs/dbraw/zinc/19/18/99/210191899.db2.gz KCRLAVYPQPYGJG-SFHVURJKSA-N 0 0 336.391 2.473 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000500638 290926040 /nfs/dbraw/zinc/92/60/40/290926040.db2.gz DYZVINKXLVASDM-ZDUSSCGKSA-N 0 0 344.323 2.059 50 30 EEEARN N#Cc1cccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1 ZINC000022899666 202094188 /nfs/dbraw/zinc/09/41/88/202094188.db2.gz XCKSQDUIYWCQTB-UHFFFAOYSA-N 0 0 337.364 2.361 50 30 EEEARN CN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccccc1C#N ZINC000023183662 202099321 /nfs/dbraw/zinc/09/93/21/202099321.db2.gz LFIDBXPRERRSIV-HNNXBMFYSA-N 0 0 338.363 2.235 50 30 EEEARN COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2C#N)cc1 ZINC000030521734 202195676 /nfs/dbraw/zinc/19/56/76/202195676.db2.gz SETRJJHCYAQKRD-UHFFFAOYSA-N 0 0 344.392 2.166 50 30 EEEARN N#Cc1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023466461 201045170 /nfs/dbraw/zinc/04/51/70/201045170.db2.gz CFZHFSMUJPUBED-UHFFFAOYSA-N 0 0 335.407 2.281 50 30 EEEARN N#Cc1ccnc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[C@H]4O)cc2)c1 ZINC000426371111 241268127 /nfs/dbraw/zinc/26/81/27/241268127.db2.gz PDBCPSOJSNTJIE-DZFIZOCASA-N 0 0 333.391 2.463 50 30 EEEARN COc1nccc(N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)c1C#N ZINC000072166395 203180014 /nfs/dbraw/zinc/18/00/14/203180014.db2.gz QIKABIFOELMMJK-CQSZACIVSA-N 0 0 336.395 2.130 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100968614 204000204 /nfs/dbraw/zinc/00/02/04/204000204.db2.gz QYJKIMMAXAPBGR-TXEJJXNPSA-N 0 0 331.397 2.124 50 30 EEEARN C=CCn1cnc2c1c(=O)n(CC=C)c(=O)n2-c1ccccc1Cl ZINC000037559159 204281947 /nfs/dbraw/zinc/28/19/47/204281947.db2.gz XECGVXPGWIONJJ-UHFFFAOYSA-N 0 0 342.786 2.374 50 30 EEEARN Cc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 ZINC000000422237 205459420 /nfs/dbraw/zinc/45/94/20/205459420.db2.gz MRGTUNPDGTUMIG-UHFFFAOYSA-N 0 0 327.409 2.366 50 30 EEEARN C=CCN1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000013627299 258017235 /nfs/dbraw/zinc/01/72/35/258017235.db2.gz NBJYMRWDIZKRDC-KBPBESRZSA-N 0 0 340.445 2.082 50 30 EEEARN N#Cc1c(SCC(N)=O)nc(N2CCCCC2)c2c1CCCC2 ZINC000020588970 135721681 /nfs/dbraw/zinc/72/16/81/135721681.db2.gz IFNKFRFTIGRCRA-UHFFFAOYSA-N 0 0 330.457 2.400 50 30 EEEARN N#Cc1cnc(SCC(=O)Nc2nc3ccccc3s2)nc1N ZINC000007461988 270016302 /nfs/dbraw/zinc/01/63/02/270016302.db2.gz KRPAGEVENVIWKE-UHFFFAOYSA-N 0 0 342.409 2.271 50 30 EEEARN O=c1[nH]c2c3cc(F)ccc3[nH]c2c(=O)n1N=Cc1ccc(F)cc1 ZINC000013569875 275042433 /nfs/dbraw/zinc/04/24/33/275042433.db2.gz VDKJCZUVPJTUQD-DNTJNYDQSA-N 0 0 340.289 2.332 50 30 EEEARN COc1ccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)cc1 ZINC000004518344 277884461 /nfs/dbraw/zinc/88/44/61/277884461.db2.gz XCGGNZXBZHCEEU-UHFFFAOYSA-N 0 0 344.396 2.143 50 30 EEEARN Cc1ccc2c(c1)C(=O)NC1=C(c3nc4ccccc4[nH]3)C(=O)CN12 ZINC000003171646 281051076 /nfs/dbraw/zinc/05/10/76/281051076.db2.gz XJZHUUAUQVCBQI-UHFFFAOYSA-N 0 0 330.347 2.373 50 30 EEEARN CN(C)N1C(=O)C[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O ZINC000001430766 289227740 /nfs/dbraw/zinc/22/77/40/289227740.db2.gz RPZAXJXWEBLCNQ-LBPRGKRZSA-N 0 0 328.368 2.215 50 30 EEEARN CCOC(=O)C1CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1 ZINC000000229445 462550276 /nfs/dbraw/zinc/55/02/76/462550276.db2.gz BWXJEMJEIXNQFM-UHFFFAOYSA-N 0 0 343.423 2.224 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000340231 462555866 /nfs/dbraw/zinc/55/58/66/462555866.db2.gz FFEVVHJDZRIRCQ-INIZCTEOSA-N 0 0 338.319 2.299 50 30 EEEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCc1ccccc1F ZINC000005020327 462643504 /nfs/dbraw/zinc/64/35/04/462643504.db2.gz QFQCGQSDENLCOM-UHFFFAOYSA-N 0 0 336.370 2.457 50 30 EEEARN Cc1ccccc1N(CC(=O)Nc1sccc1C#N)S(C)(=O)=O ZINC000006646998 462695153 /nfs/dbraw/zinc/69/51/53/462695153.db2.gz ITHQVCXFTQGUJH-UHFFFAOYSA-N 0 0 349.437 2.333 50 30 EEEARN N#Cc1cnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc1N ZINC000006978148 462715022 /nfs/dbraw/zinc/71/50/22/462715022.db2.gz WWQCUBCZJSQICY-AWEZNQCLSA-N 0 0 339.424 2.386 50 30 EEEARN N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)c1 ZINC000012936117 462877355 /nfs/dbraw/zinc/87/73/55/462877355.db2.gz NDZZNMSBAFQHIC-UHFFFAOYSA-N 0 0 329.743 2.328 50 30 EEEARN COc1ccc(N2CCN(C(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 ZINC000091756705 462904848 /nfs/dbraw/zinc/90/48/48/462904848.db2.gz WRMWTAVVGQHIPQ-CQSZACIVSA-N 0 0 349.390 2.444 50 30 EEEARN N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 ZINC000091770067 462905632 /nfs/dbraw/zinc/90/56/32/462905632.db2.gz DNRWPUOEMNXHEB-MAUKXSAKSA-N 0 0 337.423 2.421 50 30 EEEARN N#Cc1c(CN2C(=O)c3ccccc3S2(=O)=O)cn2ccccc12 ZINC000014902264 462933916 /nfs/dbraw/zinc/93/39/16/462933916.db2.gz NGLWRSIWPZCOCK-UHFFFAOYSA-N 0 0 337.360 2.156 50 30 EEEARN COc1ccc(Br)cc1/C=N/N=C1/NC(=O)CS1 ZINC000015686596 462960346 /nfs/dbraw/zinc/96/03/46/462960346.db2.gz BJFROZBDGGRSHP-WLRTZDKTSA-N 0 0 328.191 2.011 50 30 EEEARN COc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 ZINC000017071319 462994910 /nfs/dbraw/zinc/99/49/10/462994910.db2.gz IGLFCFBYVFVEHD-SXGWCWSVSA-N 0 0 340.788 2.367 50 30 EEEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCC(C(C)(C)O)CC1)C2 ZINC000077504673 462996918 /nfs/dbraw/zinc/99/69/18/462996918.db2.gz IAHWGZCXWFGFPS-CQSZACIVSA-N 0 0 347.459 2.108 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1N ZINC000018179590 463008317 /nfs/dbraw/zinc/00/83/17/463008317.db2.gz MQRXUZWWWNYINL-UHFFFAOYSA-N 0 0 327.344 2.277 50 30 EEEARN C=CCNC(=O)N1CCC2(CC1)Nc1ccccc1N(CC)C2=O ZINC000067725881 463043919 /nfs/dbraw/zinc/04/39/19/463043919.db2.gz FBACEAHXJSYZNZ-UHFFFAOYSA-N 0 0 328.416 2.195 50 30 EEEARN COc1ncc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)cn1 ZINC000067947353 463071428 /nfs/dbraw/zinc/07/14/28/463071428.db2.gz LJBBORBGSAXGHE-UHFFFAOYSA-N 0 0 349.350 2.382 50 30 EEEARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc(F)c1 ZINC000096388654 463237448 /nfs/dbraw/zinc/23/74/48/463237448.db2.gz GWLLKVLJXKNEMT-MRXNPFEDSA-N 0 0 341.342 2.140 50 30 EEEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cn[nH]c2)c1 ZINC000032934807 463403526 /nfs/dbraw/zinc/40/35/26/463403526.db2.gz QLLFDSONJPSISL-UHFFFAOYSA-N 0 0 326.356 2.130 50 30 EEEARN Cc1cccc(CN2CCN(CC#Cc3ccccc3)C[C@H]2CCO)n1 ZINC000104319390 463412176 /nfs/dbraw/zinc/41/21/76/463412176.db2.gz ORPZFOJXBQQSOE-JOCHJYFZSA-N 0 0 349.478 2.310 50 30 EEEARN Cc1ccccc1C(=O)N=C(NCCN1CCOCC1)OCC(C)C ZINC000035817995 463432864 /nfs/dbraw/zinc/43/28/64/463432864.db2.gz DOATUDRUIIYUJX-UHFFFAOYSA-N 0 0 347.459 2.086 50 30 EEEARN C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NC)nc2c1=O ZINC000072410545 463509369 /nfs/dbraw/zinc/50/93/69/463509369.db2.gz PDGAESFOWIDTSO-UHFFFAOYSA-N 0 0 342.786 2.362 50 30 EEEARN C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000110625707 463661191 /nfs/dbraw/zinc/66/11/91/463661191.db2.gz QIEHDLGZMQKRHK-WFASDCNBSA-N 0 0 326.393 2.221 50 30 EEEARN C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000008217497 518766975 /nfs/dbraw/zinc/76/69/75/518766975.db2.gz DQBQNXAMJDWUGO-CQSZACIVSA-N 0 0 344.411 2.257 50 30 EEEARN CC(C)Cc1nnc(NC(=O)COc2ccccc2-n2cnnc2)[nH]1 ZINC000095474103 519451394 /nfs/dbraw/zinc/45/13/94/519451394.db2.gz LMJKYZHIIVWQRN-UHFFFAOYSA-N 0 0 341.375 2.251 50 30 EEEARN COc1cc(/C=C/C(=O)OCC(=O)NC(C)(C)C)ccc1OCC#N ZINC000003360362 1202520931 /nfs/dbraw/zinc/52/09/31/1202520931.db2.gz QQHFIXCIVJJZCX-SOFGYWHQSA-N 0 0 346.383 2.069 50 30 EEEARN C=CCn1ncc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1C ZINC001529195629 1121364320 /nfs/dbraw/zinc/36/43/20/1121364320.db2.gz MIXFZWZQIGRFEW-RTBURBONSA-N 0 0 327.428 2.312 50 30 EEEARN C=CCC1(CC=C)CCCCN1C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000055358429 214311151 /nfs/dbraw/zinc/31/11/51/214311151.db2.gz BTSBUWPAVKYXKW-CQSZACIVSA-N 0 0 333.432 2.172 50 30 EEEARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1C#N ZINC000015402976 201956756 /nfs/dbraw/zinc/95/67/56/201956756.db2.gz QAOSCDXCPQXRGJ-UHFFFAOYSA-N 0 0 341.436 2.371 50 30 EEEARN O=C1N/C(=N\S(=O)(=O)c2ccccc2)S/C1=C/c1cccnc1 ZINC000019830920 202022880 /nfs/dbraw/zinc/02/28/80/202022880.db2.gz RSYDPBQSNWRHDG-UKTHLTGXSA-N 0 0 345.405 2.030 50 30 EEEARN N#Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000022465143 202085677 /nfs/dbraw/zinc/08/56/77/202085677.db2.gz NIAKYYHYAYHBAR-MRXNPFEDSA-N 0 0 341.436 2.423 50 30 EEEARN N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc4c[nH]nc4c3)C2=O)cc1 ZINC000025791552 202136381 /nfs/dbraw/zinc/13/63/81/202136381.db2.gz WFQXXNWYNUSGIZ-KRWDZBQOSA-N 0 0 346.346 2.397 50 30 EEEARN CS(=O)(=O)OCCCCCCCCCCOS(C)(=O)=O ZINC000100991124 204000634 /nfs/dbraw/zinc/00/06/34/204000634.db2.gz GSTRCQFFHAZYPH-UHFFFAOYSA-N 0 0 330.468 2.060 50 30 EEEARN CC1(C)C[C@@H](C2(CCC#N)N3CC4(C)CN2CC(C)(C3)C4=O)CCO1 ZINC000019330052 212016628 /nfs/dbraw/zinc/01/66/28/212016628.db2.gz ZJCXUZCIRCPUPB-HFHZODOMSA-N 0 0 345.487 2.418 50 30 biogenic EEEARN COc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000000087370 206211246 /nfs/dbraw/zinc/21/12/46/206211246.db2.gz MEOZZAGEMRPOEM-UHFFFAOYSA-N 0 0 346.408 2.096 50 30 EEEARN CC/N=C1\S[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N1CC ZINC000100203543 206217683 /nfs/dbraw/zinc/21/76/83/206217683.db2.gz GZFBPKGBJPZXAM-VLUKHXRESA-N 0 0 335.429 2.364 50 30 EEEARN COC(=O)[C@@]1(C(F)(F)F)N=C(N(C)C)OC2=C1C(=O)CC(C)(C)C2 ZINC000040284250 291663251 /nfs/dbraw/zinc/66/32/51/291663251.db2.gz VQYUYESBTVQVSX-AWEZNQCLSA-N 0 0 348.321 2.052 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000004017141 207080061 /nfs/dbraw/zinc/08/00/61/207080061.db2.gz UFQLYRJRFJRZLU-HNNXBMFYSA-N 0 0 332.356 2.061 50 30 EEEARN O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000006813770 258052424 /nfs/dbraw/zinc/05/24/24/258052424.db2.gz VNZWNTIZDARYGH-MRXNPFEDSA-N 0 0 341.338 2.396 50 30 EEEARN CCOC(=O)C1=C2c3ccccc3CC3(CCCC3)N2C(=O)C1=O ZINC000002145498 285672789 /nfs/dbraw/zinc/67/27/89/285672789.db2.gz YABSGFOOVSWPFR-UHFFFAOYSA-N 0 0 325.364 2.241 50 30 biogenic EEEARN C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 ZINC000012387321 275422338 /nfs/dbraw/zinc/42/23/38/275422338.db2.gz DXXBXWIKYHABME-OAHLLOKOSA-N 0 0 344.459 2.409 50 30 EEEARN Cc1cccc(-n2c3nc4c(C)cccn4c(=O)c3cc(C#N)c2=O)c1 ZINC000006809470 278908958 /nfs/dbraw/zinc/90/89/58/278908958.db2.gz FLHOCDMFAGQAOC-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccccc1 ZINC000226075413 303166669 /nfs/dbraw/zinc/16/66/69/303166669.db2.gz SJQSKMOFIMXZTC-HUUCEWRRSA-N 0 0 329.363 2.488 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1F ZINC000000273525 462552550 /nfs/dbraw/zinc/55/25/50/462552550.db2.gz HKBPHVNUCYIKRO-MRXNPFEDSA-N 0 0 343.358 2.397 50 30 EEEARN COC(=O)c1ccc(COc2ccc(/C=N/NC(N)=S)cc2)cc1 ZINC000000523577 462568226 /nfs/dbraw/zinc/56/82/26/462568226.db2.gz HBZSYHNATHKFLH-VXLYETTFSA-N 0 0 343.408 2.219 50 30 EEEARN CON=CNc1nc2nccc([C@@H](C)Oc3cccc(OC)c3)n2n1 ZINC000003134393 462611747 /nfs/dbraw/zinc/61/17/47/462611747.db2.gz CNZDLMMQPBELOV-LLVKDONJSA-N 0 0 342.359 2.275 50 30 EEEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000004738075 462636313 /nfs/dbraw/zinc/63/63/13/462636313.db2.gz ZZLUSLRYGSCJKP-WFSQQTBHSA-N 0 0 344.352 2.352 50 30 EEEARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000004994235 462642618 /nfs/dbraw/zinc/64/26/18/462642618.db2.gz FKDOOFNXIJSGCS-KBPBESRZSA-N 0 0 330.384 2.270 50 30 EEEARN C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000005687076 462667292 /nfs/dbraw/zinc/66/72/92/462667292.db2.gz YXZVRWVQISMPBS-WBMJQRKESA-N 0 0 338.363 2.041 50 30 EEEARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 ZINC000006561134 462691223 /nfs/dbraw/zinc/69/12/23/462691223.db2.gz FJRCLDNILHZJMG-UHFFFAOYSA-N 0 0 339.370 2.476 50 30 EEEARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C#Cc2ccccc2)c1 ZINC000006729107 462701068 /nfs/dbraw/zinc/70/10/68/462701068.db2.gz FNUSOTPYBKKYMW-UHFFFAOYSA-N 0 0 337.331 2.250 50 30 EEEARN CC[C@H](CO)N1CC(=O)C(c2nc(-c3ccc(C)cc3)cs2)=C1N ZINC000006935943 462712752 /nfs/dbraw/zinc/71/27/52/462712752.db2.gz ZARWROBRLLLGGG-CYBMUJFWSA-N 0 0 343.452 2.401 50 30 EEEARN N#Cc1cccnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000007051890 462720017 /nfs/dbraw/zinc/72/00/17/462720017.db2.gz HXQVSIVSPUOUFH-UHFFFAOYSA-N 0 0 338.436 2.394 50 30 EEEARN Cc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1CCCC2 ZINC000012324577 462850235 /nfs/dbraw/zinc/85/02/35/462850235.db2.gz UDVGTMMMTYOVFM-UHFFFAOYSA-N 0 0 325.368 2.429 50 30 EEEARN Cc1nn(CC(=O)N[C@@H](c2ccccc2)C(C)C)c(=O)c(C#N)c1C ZINC000012911126 462874282 /nfs/dbraw/zinc/87/42/82/462874282.db2.gz KVNHRMSVERDXNX-GOSISDBHSA-N 0 0 338.411 2.245 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC000012901918 462875085 /nfs/dbraw/zinc/87/50/85/462875085.db2.gz ALWQXKQHRWTGOH-UHFFFAOYSA-N 0 0 335.407 2.395 50 30 EEEARN COc1cccc(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 ZINC000013011835 462882501 /nfs/dbraw/zinc/88/25/01/462882501.db2.gz CYPPGXWQNOVXMV-UHFFFAOYSA-N 0 0 349.390 2.165 50 30 EEEARN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccn(C)n1 ZINC000119243155 462882984 /nfs/dbraw/zinc/88/29/84/462882984.db2.gz VLLOKNCOPJAPFD-UHFFFAOYSA-N 0 0 338.820 2.288 50 30 EEEARN CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000016461406 462979225 /nfs/dbraw/zinc/97/92/25/462979225.db2.gz RILVELYXBLMXKG-MRVPVSSYSA-N 0 0 336.808 2.337 50 30 EEEARN CCOC(=O)C(N=Nc1cc(Cl)c(OC)cc1OC)C(C)=O ZINC000016666944 462987467 /nfs/dbraw/zinc/98/74/67/462987467.db2.gz IQEDYJJEZATZIL-LGMDPLHJSA-N 0 0 328.752 2.277 50 30 EEEARN CC[C@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O ZINC000018098929 463005594 /nfs/dbraw/zinc/00/55/94/463005594.db2.gz PCMNADZKATXNNI-XGOYLDHDSA-N 0 0 330.406 2.244 50 30 EEEARN N#Cc1cccc(NC(=O)CCN2CCN(c3nccs3)CC2)c1 ZINC000026342352 463160263 /nfs/dbraw/zinc/16/02/63/463160263.db2.gz CSEOACAFYYRYCK-UHFFFAOYSA-N 0 0 341.440 2.166 50 30 EEEARN Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000026714817 463169810 /nfs/dbraw/zinc/16/98/10/463169810.db2.gz IPLSPTPCJRPKQY-UHFFFAOYSA-N 0 0 339.374 2.067 50 30 EEEARN C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2C)C1 ZINC000032779911 463394491 /nfs/dbraw/zinc/39/44/91/463394491.db2.gz ZTYRLLZOVBDUKN-NSHDSACASA-N 0 0 337.217 2.413 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000103502591 463403430 /nfs/dbraw/zinc/40/34/30/463403430.db2.gz MIWZZPKQMXGLNF-DYLGSBMWSA-N 0 0 328.368 2.048 50 30 EEEARN N#CCN1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000127318649 463695821 /nfs/dbraw/zinc/69/58/21/463695821.db2.gz GKAHIGSXWSYHLY-UHFFFAOYSA-N 0 0 342.624 2.384 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000584890487 468957012 /nfs/dbraw/zinc/95/70/12/468957012.db2.gz IWEQPNLZFRTWMX-CYBMUJFWSA-N 0 0 327.384 2.145 50 30 EEEARN C=CCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC ZINC000003495654 518898586 /nfs/dbraw/zinc/89/85/86/518898586.db2.gz RJYVLCWMRRGULW-UHFFFAOYSA-N 0 0 332.429 2.368 50 30 EEEARN C=CCn1c(N)nnc1S[C@@H](C(=O)NC(C)C)c1ccccc1 ZINC000031655905 519195221 /nfs/dbraw/zinc/19/52/21/519195221.db2.gz VUMLIOFHFFYAFP-CYBMUJFWSA-N 0 0 331.445 2.404 50 30 EEEARN COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccs1 ZINC000004510759 522004643 /nfs/dbraw/zinc/00/46/43/522004643.db2.gz RCALTLYCCNWLJR-QGMBQPNBSA-N 0 0 328.353 2.450 50 30 EEEARN COc1nc(N=NCc2ccccc2F)nc(N2CCCCC2)n1 ZINC000005050074 524977891 /nfs/dbraw/zinc/97/78/91/524977891.db2.gz VYFUSHZHIOLFAE-WOJGMQOQSA-N 0 0 330.367 2.456 50 30 EEEARN C[C@](C#N)(NC(=O)COC(=O)CCC(=O)c1cccs1)C1CC1 ZINC000005787710 525136225 /nfs/dbraw/zinc/13/62/25/525136225.db2.gz ZZRLUPCVJJBCNI-MRXNPFEDSA-N 0 0 334.397 2.063 50 30 EEEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000000316468 527620725 /nfs/dbraw/zinc/62/07/25/527620725.db2.gz AJJYRWYJJMMKIT-XZXOBPBMSA-N 0 0 337.331 2.228 50 30 EEEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000012660716 527655994 /nfs/dbraw/zinc/65/59/94/527655994.db2.gz AJJYRWYJJMMKIT-WPGJWXSHSA-N 0 0 337.331 2.228 50 30 biogenic EEEARN Cc1cccc(OCC(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c1 ZINC000238961229 775701909 /nfs/dbraw/zinc/70/19/09/775701909.db2.gz YMEIZRKLQIHKIT-KRWDZBQOSA-N 0 0 337.379 2.320 50 30 EEEARN Cc1cc(C[C@@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)[nH]n1 ZINC000952980717 796128799 /nfs/dbraw/zinc/12/87/99/796128799.db2.gz YBNQZNLFWMRGEZ-CYBMUJFWSA-N 0 0 325.412 2.202 50 30 EEEARN Cc1cccnc1CN1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000828644614 800791478 /nfs/dbraw/zinc/79/14/78/800791478.db2.gz MDGNLKGATNOAKE-UHFFFAOYSA-N 0 0 341.480 2.113 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(SC)cc1 ZINC000004716222 210258079 /nfs/dbraw/zinc/25/80/79/210258079.db2.gz LGSUBDYLIKNLQR-CQSZACIVSA-N 0 0 343.412 2.413 50 30 EEEARN N#CCCn1cc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 ZINC000004516903 210211759 /nfs/dbraw/zinc/21/17/59/210211759.db2.gz KMTYINXGWIFLGJ-UHFFFAOYSA-N 0 0 328.347 2.075 50 30 EEEARN Cc1nnc(N2CCC[C@H](c3nnc4ccccn43)C2)c(C#N)c1C ZINC000024055188 282319606 /nfs/dbraw/zinc/31/96/06/282319606.db2.gz ORXDJLMIBBTJCB-AWEZNQCLSA-N 0 0 333.399 2.392 50 30 EEEARN C=CCNC(=O)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000038511899 213212623 /nfs/dbraw/zinc/21/26/23/213212623.db2.gz OJLXJKDXIBBMIP-UHFFFAOYSA-N 0 0 337.426 2.206 50 30 EEEARN N#Cc1ccc(N2CC[C@H](OC(=O)c3n[nH]c4ccccc43)C2=O)cc1 ZINC000028679102 202175557 /nfs/dbraw/zinc/17/55/57/202175557.db2.gz VIKSCUOSHXYPBM-INIZCTEOSA-N 0 0 346.346 2.397 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@@H]1CCCO1 ZINC000029161616 202182279 /nfs/dbraw/zinc/18/22/79/202182279.db2.gz JYKLPHOINAMVGR-NWDGAFQWSA-N 0 0 326.356 2.001 50 30 EEEARN C=CCNC(=O)N1CCN(c2nc3c(cccc3OC)s2)CC1 ZINC000036709381 213112033 /nfs/dbraw/zinc/11/20/33/213112033.db2.gz AQWNZJMONBSAIO-UHFFFAOYSA-N 0 0 332.429 2.323 50 30 EEEARN C=CCn1cnc2c1c(=O)n(Cc1ccco1)c(=O)n2-c1ccccc1 ZINC000034692842 212981865 /nfs/dbraw/zinc/98/18/65/212981865.db2.gz WMVJJWCBHZUPAI-UHFFFAOYSA-N 0 0 348.362 2.176 50 30 EEEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000032916075 212870750 /nfs/dbraw/zinc/87/07/50/212870750.db2.gz NCTLEXHKPIZDAT-LBPRGKRZSA-N 0 0 343.408 2.421 50 30 EEEARN COc1cc(C=NN2C(=O)CSC2=S)ccc1OC(F)F ZINC000036611939 202325948 /nfs/dbraw/zinc/32/59/48/202325948.db2.gz PVHRESNYTZZMNJ-PJQLUOCWSA-N 0 0 332.353 2.491 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000097200499 201383537 /nfs/dbraw/zinc/38/35/37/201383537.db2.gz IJVNJXWECZLJKB-ZDUSSCGKSA-N 0 0 341.440 2.387 50 30 EEEARN COc1nccc(N[C@@H]2COCC[C@H]2OCc2ccccn2)c1C#N ZINC000218216496 241306382 /nfs/dbraw/zinc/30/63/82/241306382.db2.gz UAKWSYZWPLEJNH-IAGOWNOFSA-N 0 0 340.383 2.143 50 30 EEEARN C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 ZINC000005418861 205775522 /nfs/dbraw/zinc/77/55/22/205775522.db2.gz NJZRJNBNHSZFOW-UHFFFAOYSA-N 0 0 342.424 2.168 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000091548592 218020280 /nfs/dbraw/zinc/02/02/80/218020280.db2.gz KUHBDIIICKNTMU-HXUWFJFHSA-N 0 0 344.455 2.314 50 30 EEEARN C=CCNc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 ZINC000005031452 210368940 /nfs/dbraw/zinc/36/89/40/210368940.db2.gz QPNIEVBLHARUGN-UHFFFAOYSA-N 0 0 346.347 2.326 50 30 EEEARN C=C(C)CN1CCN(c2nc3sc4c(c3c(=O)n2C)CCC4)CC1 ZINC000009134640 275417888 /nfs/dbraw/zinc/41/78/88/275417888.db2.gz ZIPZDUHPNFMRRK-UHFFFAOYSA-N 0 0 344.484 2.182 50 30 EEEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000005447296 280892331 /nfs/dbraw/zinc/89/23/31/280892331.db2.gz LMFPLYATWHOPMB-AWEZNQCLSA-N 0 0 340.343 2.239 50 30 EEEARN CCn1nccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SC)nn21 ZINC000020607193 288768771 /nfs/dbraw/zinc/76/87/71/288768771.db2.gz STJIVPPXXCPLAL-ZDUSSCGKSA-N 0 0 330.417 2.238 50 30 EEEARN COc1cccc(C(=O)C=C2NC[C@H]3c4ccccc4CCN3C2=O)c1 ZINC000000034512 462539841 /nfs/dbraw/zinc/53/98/41/462539841.db2.gz KSQXACRXHIZPML-GQEMFKIVSA-N 0 0 348.402 2.491 50 30 EEEARN C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1 ZINC000000156577 462544549 /nfs/dbraw/zinc/54/45/49/462544549.db2.gz XKQNKHVBKYENMF-GFCCVEGCSA-N 0 0 341.392 2.484 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000000535242 462569329 /nfs/dbraw/zinc/56/93/29/462569329.db2.gz XBZWIIGDTOHFDK-MRXNPFEDSA-N 0 0 343.358 2.397 50 30 EEEARN C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000001236217 462577660 /nfs/dbraw/zinc/57/76/60/462577660.db2.gz RVMLRNABIGJCIT-GJZGRUSLSA-N 0 0 336.482 2.062 50 30 EEEARN C=CCOn1c2ccccc2[n+]([O-])c(-c2ccc(OCC)cc2)c1=O ZINC000001797751 462588047 /nfs/dbraw/zinc/58/80/47/462588047.db2.gz RGBGFIMKYCBXEN-UHFFFAOYSA-N 0 0 338.363 2.315 50 30 EEEARN CC1=C(C(=O)C(F)(F)F)CCC(=O)N1CCCN1CCCC1=O ZINC000003287841 462616465 /nfs/dbraw/zinc/61/64/65/462616465.db2.gz KPGFNBCZWKHKTD-UHFFFAOYSA-N 0 0 332.322 2.027 50 30 EEEARN CCOCCOC(=NC(=O)c1cccs1)NCc1ccccn1 ZINC000004400837 462631157 /nfs/dbraw/zinc/63/11/57/462631157.db2.gz FUPIFGJIBAARPP-UHFFFAOYSA-N 0 0 333.413 2.482 50 30 EEEARN CC1(C)Cc2c3c(N)c(C#N)sc3nc(N3CCOCC3)c2CO1 ZINC000006763552 462704349 /nfs/dbraw/zinc/70/43/49/462704349.db2.gz KXUDLFHXVAVPJL-UHFFFAOYSA-N 0 0 344.440 2.438 50 30 EEEARN C=CCN(CC#Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(C)C2 ZINC000065394187 462762339 /nfs/dbraw/zinc/76/23/39/462762339.db2.gz KMAZOBJHNMZHRL-UHFFFAOYSA-N 0 0 348.450 2.399 50 30 EEEARN CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)NC2CC2)c1C#N ZINC000010711636 462823113 /nfs/dbraw/zinc/82/31/13/462823113.db2.gz HLVQHVWMNNJYPI-SECBINFHSA-N 0 0 345.424 2.376 50 30 EEEARN N#Cc1ccc(OCC(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000012942826 462877307 /nfs/dbraw/zinc/87/73/07/462877307.db2.gz HFKOUOPCVBFAGR-UHFFFAOYSA-N 0 0 337.314 2.500 50 30 EEEARN N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000014708983 462931387 /nfs/dbraw/zinc/93/13/87/462931387.db2.gz ZNFVIGHXTPIJPE-UHFFFAOYSA-N 0 0 341.392 2.251 50 30 EEEARN COc1ccc(C(=O)C=C2NC[C@H]3c4ccccc4CCN3C2=O)cc1 ZINC000017971807 463004367 /nfs/dbraw/zinc/00/43/67/463004367.db2.gz WXPMAIFQEOWVML-GQEMFKIVSA-N 0 0 348.402 2.491 50 30 EEEARN N#C[C@@H](C(=O)Nc1ncccn1)C(=O)c1csc2c1CCCC2 ZINC000101878775 463382203 /nfs/dbraw/zinc/38/22/03/463382203.db2.gz NAHKSOFBKGQKNI-LLVKDONJSA-N 0 0 326.381 2.378 50 30 EEEARN N#Cc1c(F)cccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000032923522 463402160 /nfs/dbraw/zinc/40/21/60/463402160.db2.gz JYMHQLVLDYYNIY-UHFFFAOYSA-N 0 0 327.319 2.327 50 30 EEEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C#CCO)s1 ZINC000071764445 463422647 /nfs/dbraw/zinc/42/26/47/463422647.db2.gz CCHNDIPQSBDXGY-UHFFFAOYSA-N 0 0 349.419 2.317 50 30 EEEARN C#CCN1CCCC[C@@H]1C(=O)N[C@H]1CCOc2c(OC)cc(C)cc21 ZINC000072230289 463483772 /nfs/dbraw/zinc/48/37/72/463483772.db2.gz ZHORKMYGWPHGNY-DLBZAZTESA-N 0 0 342.439 2.431 50 30 EEEARN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/n2cnnc2)cc1 ZINC000252480004 464959891 /nfs/dbraw/zinc/95/98/91/464959891.db2.gz BRMYUQYBDXKSJA-VXLYETTFSA-N 0 0 342.380 2.236 50 30 EEEARN C#C[C@](C)(CC)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000000384690 518356948 /nfs/dbraw/zinc/35/69/48/518356948.db2.gz QIIISPVHZLJUBC-CQSZACIVSA-N 0 0 331.821 2.437 50 30 EEEARN C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C ZINC000011840556 518594473 /nfs/dbraw/zinc/59/44/73/518594473.db2.gz KKESQVXNRUBKOK-SFHVURJKSA-N 0 0 343.471 2.110 50 30 EEEARN C=CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000014185128 518755588 /nfs/dbraw/zinc/75/55/88/518755588.db2.gz YJCMJMLZWWLPPZ-UHFFFAOYSA-N 0 0 344.436 2.180 50 30 EEEARN CCSc1nnc(NC(=O)CN2CC(c3nc(C)no3)C2)s1 ZINC000049482619 521791741 /nfs/dbraw/zinc/79/17/41/521791741.db2.gz LFURHHZGEIKXOQ-UHFFFAOYSA-N 0 0 340.434 2.029 50 30 EEEARN N#CCCN(CCC#N)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000020612671 526453739 /nfs/dbraw/zinc/45/37/39/526453739.db2.gz PJJCMCXGZIJNKF-UHFFFAOYSA-N 0 0 344.440 2.256 50 30 EEEARN Cn1cc(C(=O)OCC(=O)NC2(C#N)CCCC2)c2ccccc21 ZINC000005703714 527172794 /nfs/dbraw/zinc/17/27/94/527172794.db2.gz DBJGNQLMVSFTOI-UHFFFAOYSA-N 0 0 325.368 2.288 50 30 EEEARN C=CCN1C(=O)C(=C2c3ccccc3N(CCCC)C2=O)NC1=S ZINC000104821715 1204680300 /nfs/dbraw/zinc/68/03/00/1204680300.db2.gz HLTGVJSCWBTCDY-CCEZHUSRSA-N 0 0 341.436 2.447 50 30 EEEARN CCCN(CC#Cc1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000055402067 214318605 /nfs/dbraw/zinc/31/86/05/214318605.db2.gz IVSZVYNYBTZPRW-KRWDZBQOSA-N 0 0 327.428 2.067 50 30 EEEARN COc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)c(OC)c1 ZINC000013722830 201912540 /nfs/dbraw/zinc/91/25/40/201912540.db2.gz OUJMVDXLUWMMEC-UHFFFAOYSA-N 0 0 331.397 2.185 50 30 EEEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc(C)cc(N)n1 ZINC000022090124 202078792 /nfs/dbraw/zinc/07/87/92/202078792.db2.gz GIIVKNOVHCMSQS-UHFFFAOYSA-N 0 0 349.441 2.352 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000038907377 202148586 /nfs/dbraw/zinc/14/85/86/202148586.db2.gz KOWVVEIISQDFOQ-UHFFFAOYSA-N 0 0 345.406 2.393 50 30 EEEARN COc1ncccc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000031400045 202206119 /nfs/dbraw/zinc/20/61/19/202206119.db2.gz BCMDSHZYVDKTIZ-UHFFFAOYSA-N 0 0 340.358 2.063 50 30 EEEARN C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 ZINC000000416435 209580343 /nfs/dbraw/zinc/58/03/43/209580343.db2.gz AAOBUWOPLQPZMS-UHFFFAOYSA-N 0 0 329.429 2.241 50 30 EEEARN CCN(CC(=O)NC1(C#N)CCCC1)C[C@@H]1COc2ccccc2O1 ZINC000036726038 202330271 /nfs/dbraw/zinc/33/02/71/202330271.db2.gz FCTWGLUHBNZCSN-OAHLLOKOSA-N 0 0 343.427 2.101 50 30 EEEARN O=C(NCC#CCN1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000075164846 202377271 /nfs/dbraw/zinc/37/72/71/202377271.db2.gz FUSVVSYHULKZFH-UHFFFAOYSA-N 0 0 334.419 2.419 50 30 EEEARN N#Cc1cccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)c1 ZINC000023742562 212393610 /nfs/dbraw/zinc/39/36/10/212393610.db2.gz SOBQPCWCFQRBOC-UHFFFAOYSA-N 0 0 327.317 2.432 50 30 EEEARN COc1ccc(C(=O)C=C2NC[C@@H]3c4ccccc4CCN3C2=O)cc1 ZINC000000036252 201425595 /nfs/dbraw/zinc/42/55/95/201425595.db2.gz WXPMAIFQEOWVML-TVNWYLLRSA-N 0 0 348.402 2.491 50 30 EEEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1cccnc1 ZINC000001296502 201501111 /nfs/dbraw/zinc/50/11/11/201501111.db2.gz LPQRRMGQFKKRJM-CXUHLZMHSA-N 0 0 326.341 2.419 50 30 EEEARN C=CCN1C[C@H](c2nc(-c3ccc4c(c3)OCCO4)c[nH]2)CC1=O ZINC000020862097 212177892 /nfs/dbraw/zinc/17/78/92/212177892.db2.gz VEZZJYNLQJFWSH-CYBMUJFWSA-N 0 0 325.368 2.350 50 30 EEEARN C=CCNC(=O)NC(=O)COC(=O)c1ccc(OCCCCC)cc1 ZINC000016049270 211880416 /nfs/dbraw/zinc/88/04/16/211880416.db2.gz ZVPUXTKNXTVNTM-UHFFFAOYSA-N 0 0 348.399 2.424 50 30 EEEARN CN1CCO[C@@H]([C@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000128752472 205161449 /nfs/dbraw/zinc/16/14/49/205161449.db2.gz IDSHYOSKGHINLZ-NVXWUHKLSA-N 0 0 343.818 2.485 50 30 EEEARN N#CCc1nc2ccccc2n1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000005729115 206505454 /nfs/dbraw/zinc/50/54/54/206505454.db2.gz VYRURBZFWKKCDY-UHFFFAOYSA-N 0 0 344.330 2.039 50 30 EEEARN C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000004867256 210307462 /nfs/dbraw/zinc/30/74/62/210307462.db2.gz CPKWJBYJOGTSJM-UHFFFAOYSA-N 0 0 328.821 2.040 50 30 EEEARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\NC(N)=S ZINC000018222516 276664140 /nfs/dbraw/zinc/66/41/40/276664140.db2.gz RVNKWJJYDMZLDM-UYRXBGFRSA-N 0 0 328.441 2.328 50 30 EEEARN C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 ZINC000000223286 462549992 /nfs/dbraw/zinc/54/99/92/462549992.db2.gz GNJMDAAFIISTPC-UHFFFAOYSA-N 0 0 335.454 2.100 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000283344 462552667 /nfs/dbraw/zinc/55/26/67/462552667.db2.gz LBFROITUFGMIMA-OAHLLOKOSA-N 0 0 339.307 2.479 50 30 EEEARN COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000000381119 462558072 /nfs/dbraw/zinc/55/80/72/462558072.db2.gz KBGAOLYEZDMEMH-GDBMZVCRSA-N 0 0 331.368 2.159 50 30 EEEARN C=CCc1ccccc1OCC(=O)OCCNC(=O)c1cccnc1 ZINC000002679834 462598850 /nfs/dbraw/zinc/59/88/50/462598850.db2.gz GQPGPPZHXPSBKA-UHFFFAOYSA-N 0 0 340.379 2.162 50 30 EEEARN C=CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000002986165 462608621 /nfs/dbraw/zinc/60/86/21/462608621.db2.gz SSZYCCZTNUMAHO-UHFFFAOYSA-N 0 0 337.228 2.062 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCc2c[nH]cn2)[C@H]1c1cccc(F)c1 ZINC000004625906 462635091 /nfs/dbraw/zinc/63/50/91/462635091.db2.gz FKAMLHUDPPRLSO-HNNXBMFYSA-N 0 0 329.331 2.076 50 30 EEEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000004791673 462638074 /nfs/dbraw/zinc/63/80/74/462638074.db2.gz CNUNJKAIWILZCZ-BPKVKKHESA-N 0 0 344.352 2.352 50 30 EEEARN CCc1ccccc1-n1c(SCC#N)nnc1N1CCOCC1 ZINC000007072857 462720880 /nfs/dbraw/zinc/72/08/80/462720880.db2.gz FFEVPCZYECRBDX-UHFFFAOYSA-N 0 0 329.429 2.282 50 30 EEEARN O=C(c1cnc2ccccn2c1=O)N(CC#Cc1ccccc1)C1CC1 ZINC000065382498 462761153 /nfs/dbraw/zinc/76/11/53/462761153.db2.gz NEZZDYZSRAZVSA-UHFFFAOYSA-N 0 0 343.386 2.351 50 30 EEEARN C=CCNc1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000065394461 462762888 /nfs/dbraw/zinc/76/28/88/462762888.db2.gz XOLZNXFLJRLLNT-SFHVURJKSA-N 0 0 335.407 2.337 50 30 EEEARN C[C@H]1CCc2ccccc2N1C(=O)CSc1ncc(C#N)c(N)n1 ZINC000009338766 462800519 /nfs/dbraw/zinc/80/05/19/462800519.db2.gz FUQZRJNSRUAPCA-NSHDSACASA-N 0 0 339.424 2.390 50 30 EEEARN COCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1 ZINC000012523250 462854490 /nfs/dbraw/zinc/85/44/90/462854490.db2.gz ZIECZKDMVRLDBY-UHFFFAOYSA-N 0 0 338.367 2.194 50 30 EEEARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1CC1 ZINC000012681077 462862488 /nfs/dbraw/zinc/86/24/88/462862488.db2.gz XOFVQGLFCYZMID-UHFFFAOYSA-N 0 0 328.338 2.341 50 30 EEEARN C=CCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)CC)cc2)CC1 ZINC000013352078 462890291 /nfs/dbraw/zinc/89/02/91/462890291.db2.gz HQOVGMYSILHOCL-UHFFFAOYSA-N 0 0 343.427 2.190 50 30 EEEARN C=CCOc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000014084979 462910127 /nfs/dbraw/zinc/91/01/27/462910127.db2.gz USCFGYPAYYXLQK-UHFFFAOYSA-N 0 0 335.429 2.412 50 30 EEEARN CCOC(=O)NC(=O)C(=CNc1cc(Cl)ccc1O)C(C)=O ZINC000017111292 462996332 /nfs/dbraw/zinc/99/63/32/462996332.db2.gz CZYBENZKUCIDDT-YFHOEESVSA-N 0 0 326.736 2.203 50 30 EEEARN CC(=[NH+]C[C@@H]1CCCO1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000017750770 463001575 /nfs/dbraw/zinc/00/15/75/463001575.db2.gz BHJRHDSYURHLFS-GZQZNAIASA-N 0 0 344.371 2.370 50 30 EEEARN COc1ccccc1N1C[C@H](C(=O)NCC#Cc2ccccc2)CC1=O ZINC000025583827 463130712 /nfs/dbraw/zinc/13/07/12/463130712.db2.gz IDGUTBOABXNHGA-QGZVFWFLSA-N 0 0 348.402 2.216 50 30 EEEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1sccc1-n1cnnn1 ZINC000123042799 463312225 /nfs/dbraw/zinc/31/22/25/463312225.db2.gz MEZVRROXARKYSN-JTQLQIEISA-N 0 0 349.379 2.101 50 30 EEEARN COC(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c1 ZINC000100819277 463375428 /nfs/dbraw/zinc/37/54/28/463375428.db2.gz ZGABQQKTGBNNPM-ZDUSSCGKSA-N 0 0 338.323 2.221 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCCC2)cc1OC ZINC000103502433 463403298 /nfs/dbraw/zinc/40/32/98/463403298.db2.gz OGAYGSLLFMFKSX-PMGBHYCQSA-N 0 0 342.395 2.438 50 30 EEEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cnn(C)c1 ZINC000103504293 463404093 /nfs/dbraw/zinc/40/40/93/463404093.db2.gz WFRAFAFOGBUOFS-LLVKDONJSA-N 0 0 346.774 2.352 50 30 EEEARN N#Cc1ccc(Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)cc1 ZINC000040267367 463454431 /nfs/dbraw/zinc/45/44/31/463454431.db2.gz OYRDOLDMYXZMJS-UHFFFAOYSA-N 0 0 349.325 2.092 50 30 EEEARN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000329841491 465450731 /nfs/dbraw/zinc/45/07/31/465450731.db2.gz KBDITLQBBAZADH-ZBFHGGJFSA-N 0 0 339.399 2.194 50 30 EEEARN N#Cc1cc2n(n1)CCCN([C@@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000670474121 485656426 /nfs/dbraw/zinc/65/64/26/485656426.db2.gz IULXFCIQBQZALD-QGZVFWFLSA-N 0 0 325.391 2.378 50 30 EEEARN C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nc2ccsc2c1=O ZINC000011271916 519250515 /nfs/dbraw/zinc/25/05/15/519250515.db2.gz WRXMNQGTEOUJOG-VIFPVBQESA-N 0 0 335.454 2.403 50 30 EEEARN CN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000004979509 522669016 /nfs/dbraw/zinc/66/90/16/522669016.db2.gz WVNXSEGAORYUDP-UHFFFAOYSA-N 0 0 337.379 2.252 50 30 EEEARN Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)n1 ZINC000952965523 796085458 /nfs/dbraw/zinc/08/54/58/796085458.db2.gz DFBHRRIZGMPLFZ-OAHLLOKOSA-N 0 0 341.411 2.303 50 30 EEEARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O ZINC000008325729 201745841 /nfs/dbraw/zinc/74/58/41/201745841.db2.gz ZOGVXABLWLHUGF-MGPLVRAMSA-N 0 0 346.412 2.059 50 30 EEEARN Cc1nn(CCC(=O)Nc2ccccc2Cl)c(=O)c(C#N)c1C ZINC000012817419 201870310 /nfs/dbraw/zinc/87/03/10/201870310.db2.gz QOGNBLSAAAGRSL-UHFFFAOYSA-N 0 0 330.775 2.414 50 30 EEEARN CC(=O)Nc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 ZINC000013692044 201909585 /nfs/dbraw/zinc/90/95/85/201909585.db2.gz POIKKHGOGLMXRI-UHFFFAOYSA-N 0 0 342.424 2.435 50 30 EEEARN Cc1cccc2c(C)nc(NC3=NCN(Cc4cccnc4)CN3)nc12 ZINC000019324244 202004689 /nfs/dbraw/zinc/00/46/89/202004689.db2.gz MIYGABNUTZDYCS-UHFFFAOYSA-N 0 0 347.426 2.239 50 30 EEEARN O=S(=O)(N=C1NCN(CCC2=CCCCC2)CN1)c1ccccc1 ZINC000022607948 202088693 /nfs/dbraw/zinc/08/86/93/202088693.db2.gz IMCPAIWZDYWAAH-UHFFFAOYSA-N 0 0 348.472 2.032 50 30 EEEARN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCC#N)cc1 ZINC000023692424 202107579 /nfs/dbraw/zinc/10/75/79/202107579.db2.gz ZWQGANAXGQKKAV-UHFFFAOYSA-N 0 0 330.365 2.245 50 30 EEEARN COC(=O)c1cc(NCC(=O)NC2(C#N)CCCCC2)ccc1F ZINC000023903095 202109533 /nfs/dbraw/zinc/10/95/33/202109533.db2.gz QRFCKPDIRPYNIW-UHFFFAOYSA-N 0 0 333.363 2.367 50 30 EEEARN Cc1c2c(nc(SCCN3C(=O)NC(C)(C)C3=O)c1C#N)CCC2 ZINC000031445674 202205613 /nfs/dbraw/zinc/20/56/13/202205613.db2.gz JEOUHRHJPOXXRT-UHFFFAOYSA-N 0 0 344.440 2.173 50 30 EEEARN CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033760927 202269134 /nfs/dbraw/zinc/26/91/34/202269134.db2.gz KZMCSWABALTQKE-MRXNPFEDSA-N 0 0 325.368 2.362 50 30 EEEARN Cn1cc([C@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@@H](O)C2)cn1 ZINC000219309352 241377888 /nfs/dbraw/zinc/37/78/88/241377888.db2.gz SYJIBEQPRSFZCX-MZMPZRCHSA-N 0 0 337.427 2.490 50 30 EEEARN O=C(NO)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012583831 284015034 /nfs/dbraw/zinc/01/50/34/284015034.db2.gz ZEHUOMYRTSBYOZ-UHFFFAOYSA-N 0 0 333.266 2.335 50 30 EEEARN CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 ZINC000005377119 201649579 /nfs/dbraw/zinc/64/95/79/201649579.db2.gz TZHILZQQHPRLHL-FJOSAAFMSA-N 0 0 338.454 2.006 50 30 EEEARN Cn1c2ccccc2nc1C1=C(N)N(Cc2ccccc2F)CC1=O ZINC000019820073 212072071 /nfs/dbraw/zinc/07/20/71/212072071.db2.gz RLPCUODSIYJDQJ-UHFFFAOYSA-N 0 0 336.370 2.425 50 30 EEEARN C=CCN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 ZINC000014157813 211694567 /nfs/dbraw/zinc/69/45/67/211694567.db2.gz PDLYPEHNQRJTMO-IBGZPJMESA-N 0 0 349.434 2.118 50 30 EEEARN C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000012981379 211498870 /nfs/dbraw/zinc/49/88/70/211498870.db2.gz CULHDLKHHUHKLK-NSHDSACASA-N 0 0 337.217 2.413 50 30 EEEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OC ZINC000012419215 211374767 /nfs/dbraw/zinc/37/47/67/211374767.db2.gz UDVLKJNJJVBBQX-JTQLQIEISA-N 0 0 329.381 2.220 50 30 EEEARN CN1N=C(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1=O ZINC000031081883 258015860 /nfs/dbraw/zinc/01/58/60/258015860.db2.gz YDIQIVMZAFFPKL-UHFFFAOYSA-N 0 0 332.363 2.028 50 30 EEEARN C=CCN1C(=O)/C(=C\c2cccc(OC)c2O)C(C(=O)OC)=C1C ZINC000000113232 462543061 /nfs/dbraw/zinc/54/30/61/462543061.db2.gz CQJHWWKZKVWSMO-RAXLEYEMSA-N 0 0 329.352 2.259 50 30 EEEARN COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1OCC(N)=O ZINC000000361099 462556512 /nfs/dbraw/zinc/55/65/12/462556512.db2.gz BGLRAMYGHAQGFP-KEBDBYFISA-N 0 0 341.367 2.268 50 30 EEEARN C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N ZINC000000527276 462568693 /nfs/dbraw/zinc/56/86/93/462568693.db2.gz SEQHMFBIYJGHBY-UHFFFAOYSA-N 0 0 336.417 2.353 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c1C#N ZINC000000583000 462571691 /nfs/dbraw/zinc/57/16/91/462571691.db2.gz FHESDQOCRGRNBE-UHFFFAOYSA-N 0 0 339.395 2.430 50 30 EEEARN COc1cccc(C=NN2C(=S)N=NC2c2ccccn2)c1O ZINC000001242551 462577993 /nfs/dbraw/zinc/57/79/93/462577993.db2.gz WEHUVTNLFDWKSL-RQZCQDPDSA-N 0 0 327.369 2.225 50 30 EEEARN CON=CNc1nc2nccc([C@@H](C)Oc3ccc(F)cc3)n2n1 ZINC000003134300 462611361 /nfs/dbraw/zinc/61/13/61/462611361.db2.gz QOVUJDBECGTHGK-SNVBAGLBSA-N 0 0 330.323 2.405 50 30 EEEARN N#Cc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000005094265 462644932 /nfs/dbraw/zinc/64/49/32/462644932.db2.gz VJSIZORLQDNPGF-UHFFFAOYSA-N 0 0 339.370 2.425 50 30 EEEARN COCCNc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000006428234 462685877 /nfs/dbraw/zinc/68/58/77/462685877.db2.gz DRFATSDMVIWNOR-UHFFFAOYSA-N 0 0 349.441 2.199 50 30 EEEARN N#CCCN(C(=O)COc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000007544696 462740075 /nfs/dbraw/zinc/74/00/75/462740075.db2.gz HQCDOXNLJSOAOH-UHFFFAOYSA-N 0 0 326.312 2.315 50 30 EEEARN CC(=O)N1C[C@H](C(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000007989751 462761242 /nfs/dbraw/zinc/76/12/42/462761242.db2.gz TYWYDGXQQOTOIW-CQSZACIVSA-N 0 0 327.365 2.372 50 30 EEEARN N#Cc1ccccc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000008186639 462771845 /nfs/dbraw/zinc/77/18/45/462771845.db2.gz DEDQEXNCRCRVBO-LJQANCHMSA-N 0 0 333.347 2.288 50 30 EEEARN C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc2c(c1)CCCC2 ZINC000012892264 462874864 /nfs/dbraw/zinc/87/48/64/462874864.db2.gz CHAIHLBMJBWCML-LBPRGKRZSA-N 0 0 338.411 2.008 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCCC[C@H]2CCn2cccn2)c1 ZINC000077408065 462981044 /nfs/dbraw/zinc/98/10/44/462981044.db2.gz GHPZAAAMMGUBDV-INIZCTEOSA-N 0 0 344.440 2.388 50 30 EEEARN Cc1cc(N2CCC[C@@H](C(N)=O)C2)n2c3ccccc3nc2c1C#N ZINC000022534771 463051473 /nfs/dbraw/zinc/05/14/73/463051473.db2.gz OEKVYJGKYNABHD-CYBMUJFWSA-N 0 0 333.395 2.369 50 30 EEEARN N#Cc1cc2c(ccn(CCc3nc4ccccc4[nH]3)c2=O)nc1O ZINC000067947519 463071352 /nfs/dbraw/zinc/07/13/52/463071352.db2.gz MNUQJKXPJRFCNN-UHFFFAOYSA-N 0 0 331.335 2.093 50 30 EEEARN CNS(=O)(=O)c1ccc(-c2cc(C3CCC3)nc(N)c2C#N)cc1 ZINC000067983492 463076630 /nfs/dbraw/zinc/07/66/30/463076630.db2.gz LRRKLUGKHKLLAH-UHFFFAOYSA-N 0 0 342.424 2.378 50 30 EEEARN CCn1c(C)cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000031080650 463323829 /nfs/dbraw/zinc/32/38/29/463323829.db2.gz JBIXZEGNXLEJHR-UHFFFAOYSA-N 0 0 337.427 2.354 50 30 EEEARN C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2ncccc2c1=O ZINC000031614847 463348046 /nfs/dbraw/zinc/34/80/46/463348046.db2.gz GPXUEAFQANQJST-GFCCVEGCSA-N 0 0 346.456 2.230 50 30 EEEARN CO[C@@H](C(=O)N1CCN(c2ccccc2C#N)C(=O)C1)c1ccccc1 ZINC000082115068 463515432 /nfs/dbraw/zinc/51/54/32/463515432.db2.gz JCRQOVYYUZPCRD-LJQANCHMSA-N 0 0 349.390 2.121 50 30 EEEARN N#CC1(c2ccccc2)CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 ZINC000426479054 467142306 /nfs/dbraw/zinc/14/23/06/467142306.db2.gz USIKNEJUVRZGRG-HNNXBMFYSA-N 0 0 349.438 2.624 50 30 EEEARN C#CCNC(=O)COC(=O)c1csc(-c2ccc(CC)cc2)n1 ZINC000007077835 518275470 /nfs/dbraw/zinc/27/54/70/518275470.db2.gz YOSWJOLRONOTFX-UHFFFAOYSA-N 0 0 328.393 2.279 50 30 EEEARN C=C(C)COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000055107533 518621061 /nfs/dbraw/zinc/62/10/61/518621061.db2.gz VLEGXTOTDGWTHN-IBGZPJMESA-N 0 0 344.455 2.465 50 30 EEEARN C=CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000014327205 518923026 /nfs/dbraw/zinc/92/30/26/518923026.db2.gz MZDCHTREHBOVRP-AWEZNQCLSA-N 0 0 330.428 2.281 50 30 EEEARN C=CCn1c(SCC(=O)NC2=NCCS2)nnc1-c1ccco1 ZINC000004999367 519205845 /nfs/dbraw/zinc/20/58/45/519205845.db2.gz LCGAVWPFSLEXNL-UHFFFAOYSA-N 0 0 349.441 2.035 50 30 EEEARN C=CCn1cc(CN2CCN(Cc3ccccc3F)C(=O)C2)c(C)n1 ZINC000055133164 519277752 /nfs/dbraw/zinc/27/77/52/519277752.db2.gz PEWVGUQLCLZOBM-UHFFFAOYSA-N 0 0 342.418 2.361 50 30 EEEARN C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC1CCCC1 ZINC000005813053 525890911 /nfs/dbraw/zinc/89/09/11/525890911.db2.gz NUCUGNBYEADWMA-LBPRGKRZSA-N 0 0 343.383 2.143 50 30 EEEARN C=CCOc1cccc(C(=O)N[C@H]2C[N@@H+](CC(=O)[O-])C[C@@H]2CCC)c1 ZINC000091934355 1214370813 /nfs/dbraw/zinc/37/08/13/1214370813.db2.gz YCZYIDDICYDBAG-RDJZCZTQSA-N 0 0 346.427 2.166 50 30 EEEARN CN(Cc1cc(C2CC2)n[nH]1)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000048501631 1316662801 /nfs/dbraw/zinc/66/28/01/1316662801.db2.gz SCIGYYKRFKVMRG-UHFFFAOYSA-N 0 0 327.348 2.343 50 30 EEEARN CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000011371572 201807024 /nfs/dbraw/zinc/80/70/24/201807024.db2.gz UAPWMAFWAXKUHY-BMIGLBTASA-N 0 0 338.433 2.093 50 30 EEEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000018260325 201995809 /nfs/dbraw/zinc/99/58/09/201995809.db2.gz VDYNMEMCBUOHEU-GFCCVEGCSA-N 0 0 328.372 2.323 50 30 EEEARN CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000019796796 202020194 /nfs/dbraw/zinc/02/01/94/202020194.db2.gz HKUTXQGAIDXQDW-UHFFFAOYSA-N 0 0 332.473 2.075 50 30 EEEARN N#Cc1c(N)sc2c1CCN(c1nc3sccn3c1[N+](=O)[O-])C2 ZINC000008746377 283078465 /nfs/dbraw/zinc/07/84/65/283078465.db2.gz NLYXQZADKJQEQS-UHFFFAOYSA-N 0 0 346.397 2.382 50 30 EEEARN N#Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000022465149 202085472 /nfs/dbraw/zinc/08/54/72/202085472.db2.gz NIAKYYHYAYHBAR-INIZCTEOSA-N 0 0 341.436 2.423 50 30 EEEARN N#Cc1cnc(SCc2ccc(C(=O)N3CCCC3)cc2)nc1N ZINC000024726517 202120324 /nfs/dbraw/zinc/12/03/24/202120324.db2.gz RPEYLDMQCUZRJF-UHFFFAOYSA-N 0 0 339.424 2.459 50 30 EEEARN CCNC(=O)COc1c(Br)cc(C#N)cc1OCC ZINC000031277263 202205188 /nfs/dbraw/zinc/20/51/88/202205188.db2.gz HVJRCGDZNKCERE-UHFFFAOYSA-N 0 0 327.178 2.234 50 30 EEEARN Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1C ZINC000032578338 202227891 /nfs/dbraw/zinc/22/78/91/202227891.db2.gz QQAGEJZIKXNHQJ-MFOYZWKCSA-N 0 0 332.381 2.345 50 30 EEEARN N#CCCn1ncc2c1ncnc2NC[C@H]1COc2ccccc2C1 ZINC000097199905 201382607 /nfs/dbraw/zinc/38/26/07/201382607.db2.gz GECGETIMOPQVFC-ZDUSSCGKSA-N 0 0 334.383 2.403 50 30 EEEARN COc1cc(C=NN2C(=S)N=NC2c2ccccn2)ccc1O ZINC000001249907 201501518 /nfs/dbraw/zinc/50/15/18/201501518.db2.gz CGONAPCVVKNSPB-RQZCQDPDSA-N 0 0 327.369 2.225 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021784970 212249825 /nfs/dbraw/zinc/24/98/25/212249825.db2.gz NCHZNYLQRMMBDD-SNVBAGLBSA-N 0 0 347.346 2.248 50 30 EEEARN N#Cc1ccc(COC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000006586067 201687127 /nfs/dbraw/zinc/68/71/27/201687127.db2.gz UBTCMDZCMKDGBP-UHFFFAOYSA-N 0 0 341.392 2.427 50 30 EEEARN COC(=O)c1cc(C#N)c(N(C)Cc2noc(C(C)C)n2)nc1C ZINC000077355563 203382666 /nfs/dbraw/zinc/38/26/66/203382666.db2.gz DKDNPUGXCILQQR-UHFFFAOYSA-N 0 0 329.360 2.191 50 30 EEEARN COc1ccc(CCC(=O)[C@@H](C#N)C(=O)N2CCCCC2)cc1OC ZINC000103502516 204081116 /nfs/dbraw/zinc/08/11/16/204081116.db2.gz FLADZFQKVPDLBP-OAHLLOKOSA-N 0 0 344.411 2.358 50 30 EEEARN C=CCn1c(=O)c2c(ncn2C(C)C)n(-c2ccc(F)cc2)c1=O ZINC000037558033 204289694 /nfs/dbraw/zinc/28/96/94/204289694.db2.gz JZGBCVMRUIVHKC-UHFFFAOYSA-N 0 0 328.347 2.255 50 30 EEEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1cc(O)cc(O)c1 ZINC000017068808 211950702 /nfs/dbraw/zinc/95/07/02/211950702.db2.gz JSHRKCCTNADDPN-ATVHPVEESA-N 0 0 334.397 2.417 50 30 EEEARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)c1 ZINC000007045810 205830164 /nfs/dbraw/zinc/83/01/64/205830164.db2.gz SOAOQCGPASXYLG-SNVBAGLBSA-N 0 0 341.396 2.252 50 30 EEEARN C=CCN1C(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C ZINC000012974316 207267528 /nfs/dbraw/zinc/26/75/28/207267528.db2.gz MZNMTAKMAZFUAD-HNNXBMFYSA-N 0 0 344.367 2.173 50 30 EEEARN C=CCNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O ZINC000005060304 210378200 /nfs/dbraw/zinc/37/82/00/210378200.db2.gz LUMXVKHRSWNHAE-UHFFFAOYSA-N 0 0 342.420 2.473 50 30 EEEARN O=S1(=O)C[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000334157996 465040409 /nfs/dbraw/zinc/04/04/09/465040409.db2.gz GZZFBDQOIJHXCT-VHSXEESVSA-P 0 0 337.368 2.123 50 30 EEEARN COc1ccc2[nH]c3c([nH]c(=O)n(N=Cc4ccccc4)c3=O)c2c1 ZINC000000184920 462546360 /nfs/dbraw/zinc/54/63/60/462546360.db2.gz PCDCUBKQMUZOCX-VXLYETTFSA-N 0 0 334.335 2.062 50 30 EEEARN C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O ZINC000002304925 462591079 /nfs/dbraw/zinc/59/10/79/462591079.db2.gz KBAMZXYDOOJVHU-NTCAYCPXSA-N 0 0 342.399 2.093 50 30 EEEARN CSc1nc(N)nc(SCC(=O)OCc2ccccc2)c1C#N ZINC000003169426 462611290 /nfs/dbraw/zinc/61/12/90/462611290.db2.gz VDYHDUWLWALHDX-UHFFFAOYSA-N 0 0 346.437 2.488 50 30 EEEARN COc1ccc(CCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005020344 462644276 /nfs/dbraw/zinc/64/42/76/462644276.db2.gz NMFWGPFSVCZVAP-UHFFFAOYSA-N 0 0 348.406 2.326 50 30 EEEARN CN(C(=O)COC(=O)COc1ccccc1C#N)C1CCCCC1 ZINC000005505811 462661945 /nfs/dbraw/zinc/66/19/45/462661945.db2.gz CRZJICJSDSZPFE-UHFFFAOYSA-N 0 0 330.384 2.271 50 30 EEEARN O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000005757322 462668639 /nfs/dbraw/zinc/66/86/39/462668639.db2.gz XPDGEVVGQUOSHM-LBPRGKRZSA-N 0 0 328.353 2.452 50 30 EEEARN C=CCNc1nnc(SCC(=O)Nc2c(C)nn(C)c2C)s1 ZINC000007504379 462739117 /nfs/dbraw/zinc/73/91/17/462739117.db2.gz FCRWBGREIOXPJB-UHFFFAOYSA-N 0 0 338.462 2.217 50 30 EEEARN C=CCNC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000007785108 462750906 /nfs/dbraw/zinc/75/09/06/462750906.db2.gz IJTGGIVDTBEODM-UHFFFAOYSA-N 0 0 338.820 2.431 50 30 EEEARN CCOc1cccc(C=NN2C(=S)N=NC2c2cc(C)[nH]n2)c1O ZINC000008569359 462789323 /nfs/dbraw/zinc/78/93/23/462789323.db2.gz MQEYUWKTVIVGKZ-LZYBPNLTSA-N 0 0 344.400 2.252 50 30 EEEARN CCN(C(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1C ZINC000010349854 462819082 /nfs/dbraw/zinc/81/90/82/462819082.db2.gz JAJPMVXIOATUHS-UHFFFAOYSA-N 0 0 327.413 2.384 50 30 EEEARN CCOC(=O)c1nn(Cc2cccc(C#N)c2)c(=O)c2ccccc21 ZINC000012410664 462852804 /nfs/dbraw/zinc/85/28/04/462852804.db2.gz UJSMVUCDJPUFMQ-UHFFFAOYSA-N 0 0 333.347 2.493 50 30 EEEARN CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C#N)cn1 ZINC000012764526 462867336 /nfs/dbraw/zinc/86/73/36/462867336.db2.gz BOSOFRSIMZSLIX-UHFFFAOYSA-N 0 0 344.440 2.393 50 30 EEEARN N#Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000014140076 462913675 /nfs/dbraw/zinc/91/36/75/462913675.db2.gz HRLKGJVLDCASBR-LJQANCHMSA-N 0 0 335.407 2.189 50 30 EEEARN CN(CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000016629207 462984629 /nfs/dbraw/zinc/98/46/29/462984629.db2.gz OXJZZWXYRYEFES-CYBMUJFWSA-N 0 0 343.408 2.330 50 30 EEEARN C#Cc1cccc(NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000120544025 463010085 /nfs/dbraw/zinc/01/00/85/463010085.db2.gz BOJMDDMXWQNWQP-UHFFFAOYSA-N 0 0 336.273 2.004 50 30 EEEARN N#Cc1cccnc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000023718203 463070004 /nfs/dbraw/zinc/07/00/04/463070004.db2.gz XYEREXSHLWYGKS-UHFFFAOYSA-N 0 0 342.786 2.275 50 30 EEEARN Cc1nc(C)c(C#N)c(SCCN2C(=O)c3ccccc3C2=O)n1 ZINC000025959363 463146647 /nfs/dbraw/zinc/14/66/47/463146647.db2.gz CXXNZUIAEITEDV-UHFFFAOYSA-N 0 0 338.392 2.353 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C ZINC000100737536 463374643 /nfs/dbraw/zinc/37/46/43/463374643.db2.gz TWUFVOIVSIRBNQ-FWLQQBITSA-N 0 0 346.339 2.248 50 30 EEEARN C#CCn1c2ccc(OC)cc2s/c1=N\C(=O)CSC(C)=O ZINC000100825276 463375439 /nfs/dbraw/zinc/37/54/39/463375439.db2.gz IMUDVYHOTYLZRM-NXVVXOECSA-N 0 0 334.422 2.052 50 30 EEEARN C=CC/N=C1/S/C(=C/C(=O)OC)C(=O)N1c1ccc(OC)cc1 ZINC000101384823 463377856 /nfs/dbraw/zinc/37/78/56/463377856.db2.gz IZTMBCIINDMBSS-VTRAWOOYSA-N 0 0 332.381 2.374 50 30 EEEARN CCOC(C#CCN1CCC(NC(=O)c2ccccc2)CC1)OCC ZINC000071770904 463424834 /nfs/dbraw/zinc/42/48/34/463424834.db2.gz TZLRHEJWKZLWPE-UHFFFAOYSA-N 0 0 344.455 2.283 50 30 EEEARN C=CCNc1nc(C(=O)OCC(=O)N2CCc3ccccc32)cs1 ZINC000003568757 518963139 /nfs/dbraw/zinc/96/31/39/518963139.db2.gz TZJCWYFFQXTRSS-UHFFFAOYSA-N 0 0 343.408 2.487 50 30 EEEARN C[C@](C#N)(NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000034868291 525135699 /nfs/dbraw/zinc/13/56/99/525135699.db2.gz HHRKKTNZAXXJOS-GOSISDBHSA-N 0 0 346.862 2.270 50 30 EEEARN COC(=O)C(=O)C=C(NN=c1nc[nH]c2ccccc21)c1ccccc1 ZINC000009492198 1205678391 /nfs/dbraw/zinc/67/83/91/1205678391.db2.gz MNFHMGKDVXPSQB-LFIBNONCSA-N 0 0 348.362 2.330 50 30 EEEARN N#Cc1ccccc1C(=O)NCc1nncn1CCc1ccccc1 ZINC000826792169 800418448 /nfs/dbraw/zinc/41/84/48/800418448.db2.gz SIKWOWVDTPFIKZ-UHFFFAOYSA-N 0 0 331.379 2.322 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCc2c[nH]cn2)[C@@H]1c1cccc(F)c1 ZINC000004625905 210235710 /nfs/dbraw/zinc/23/57/10/210235710.db2.gz FKAMLHUDPPRLSO-OAHLLOKOSA-N 0 0 329.331 2.076 50 30 EEEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2 ZINC000007276675 295687666 /nfs/dbraw/zinc/68/76/66/295687666.db2.gz XVRMQSDOQVSPLG-LBPRGKRZSA-N 0 0 340.408 2.451 50 30 EEEARN CC[C@@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000003259545 209990954 /nfs/dbraw/zinc/99/09/54/209990954.db2.gz NBNQNSIIBAJPLY-OAHLLOKOSA-N 0 0 330.384 2.271 50 30 EEEARN NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002640197 283261563 /nfs/dbraw/zinc/26/15/63/283261563.db2.gz VLRCGFHTHQUMFH-UHFFFAOYSA-N 0 0 339.760 2.342 50 30 EEEARN CCn1c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc2oc1=O ZINC000036148330 213073336 /nfs/dbraw/zinc/07/33/36/213073336.db2.gz XQDHFBPOBFOMQN-UHFFFAOYSA-N 0 0 343.364 2.287 50 30 EEEARN COCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000030436798 212697013 /nfs/dbraw/zinc/69/70/13/212697013.db2.gz ZMYZAUPIGSOFQO-UHFFFAOYSA-N 0 0 346.408 2.062 50 30 EEEARN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 ZINC000426581013 241310909 /nfs/dbraw/zinc/31/09/09/241310909.db2.gz MOOILBWYIQLUEF-GOSISDBHSA-N 0 0 348.406 2.361 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021784814 212250608 /nfs/dbraw/zinc/25/06/08/212250608.db2.gz AIVLLHGDVLAZRY-NSHDSACASA-N 0 0 347.346 2.248 50 30 EEEARN CC1(C)C[C@H](C2(CCC#N)N3CC4(C)CN2CC(C)(C3)C4=O)CCO1 ZINC000019330049 212017215 /nfs/dbraw/zinc/01/72/15/212017215.db2.gz ZJCXUZCIRCPUPB-QJYZWNGJSA-N 0 0 345.487 2.418 50 30 biogenic EEEARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 ZINC000012759362 211448924 /nfs/dbraw/zinc/44/89/24/211448924.db2.gz CKVRMNRJTYGEBT-CZUORRHYSA-N 0 0 349.456 2.187 50 30 EEEARN CN(c1cnc(C#N)cn1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000124364331 222418913 /nfs/dbraw/zinc/41/89/13/222418913.db2.gz BCJPRMLLOIIVAD-AWEZNQCLSA-N 0 0 327.775 2.243 50 30 EEEARN CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C=O ZINC000072233787 278398338 /nfs/dbraw/zinc/39/83/38/278398338.db2.gz GXVOIJWTXUNBIQ-OAHLLOKOSA-N 0 0 348.399 2.443 50 30 EEEARN Cn1c(N)c2c(cc(-c3ccc(Cl)cc3)n(C)c2=O)c(C#N)c1=O ZINC000068754837 279308894 /nfs/dbraw/zinc/30/88/94/279308894.db2.gz IIANNMGKQFVDTR-UHFFFAOYSA-N 0 0 340.770 2.011 50 30 EEEARN CN1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](c2ccccc2)C1 ZINC000013113424 290052792 /nfs/dbraw/zinc/05/27/92/290052792.db2.gz HKAFZJHBXSYNKH-QGZVFWFLSA-N 0 0 341.436 2.236 50 30 EEEARN Cc1c(C(=O)ON2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000000466763 462564488 /nfs/dbraw/zinc/56/44/88/462564488.db2.gz SYPDUWHUUFUTMB-UHFFFAOYSA-N 0 0 326.264 2.271 50 30 EEEARN COc1cc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2nccs2)ccc1O ZINC000000551720 462570695 /nfs/dbraw/zinc/57/06/95/462570695.db2.gz IYHIAWPJCJFCFC-CYBMUJFWSA-N 0 0 346.364 2.346 50 30 EEEARN C=CCOc1cc(Br)c(/C=N/NC(N)=S)cc1OC ZINC000002754034 462600445 /nfs/dbraw/zinc/60/04/45/462600445.db2.gz YUTIACTVBTXOFP-VIZOYTHASA-N 0 0 344.234 2.190 50 30 EEEARN CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)n(C)n1 ZINC000002735901 462600934 /nfs/dbraw/zinc/60/09/34/462600934.db2.gz DQFQBIATIYZVSC-UHFFFAOYSA-N 0 0 344.396 2.271 50 30 EEEARN N#Cc1c(=O)c2n(cc[n+]2-c2ccccc2)c2nc3ccccc3[n-]c12 ZINC000005927555 462672286 /nfs/dbraw/zinc/67/22/86/462672286.db2.gz KRDJZENXLYJURB-UHFFFAOYSA-O 0 0 338.350 2.429 50 30 EEEARN COC(=O)c1ccc2c(c1)nc(SCC#N)n(CC(C)C)c2=O ZINC000006374477 462684516 /nfs/dbraw/zinc/68/45/16/462684516.db2.gz PWOTVURIMCGPEF-UHFFFAOYSA-N 0 0 331.397 2.455 50 30 EEEARN COc1ccccc1CN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000007424981 462735536 /nfs/dbraw/zinc/73/55/36/462735536.db2.gz DUUAGNFNPUGOJG-UHFFFAOYSA-N 0 0 334.379 2.284 50 30 EEEARN N#Cc1cccc(COC(=O)CN2c3ccccc3OCCC2=O)c1 ZINC000007532877 462739688 /nfs/dbraw/zinc/73/96/88/462739688.db2.gz ARBBJBJSMOKELW-UHFFFAOYSA-N 0 0 336.347 2.417 50 30 EEEARN N#Cc1ccc(OCCN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000008752440 462794704 /nfs/dbraw/zinc/79/47/04/462794704.db2.gz RVDSBEPBGDXILJ-KRWDZBQOSA-N 0 0 335.363 2.100 50 30 EEEARN C=C(C)CNC(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 ZINC000012052564 462842267 /nfs/dbraw/zinc/84/22/67/462842267.db2.gz YODVQGPUZXBTHF-UHFFFAOYSA-N 0 0 345.399 2.303 50 30 EEEARN COc1ccccc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O ZINC000012637053 462861121 /nfs/dbraw/zinc/86/11/21/462861121.db2.gz CJNQQXREWJVCAU-PXNMLYILSA-N 0 0 325.320 2.176 50 30 biogenic EEEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CO)cc1 ZINC000013123602 462886075 /nfs/dbraw/zinc/88/60/75/462886075.db2.gz RSNFETWWZIRPOF-INIZCTEOSA-N 0 0 339.347 2.223 50 30 EEEARN C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 ZINC000091518951 462886470 /nfs/dbraw/zinc/88/64/70/462886470.db2.gz XGOKVSGLBWDJEP-UHFFFAOYSA-N 0 0 341.455 2.431 50 30 EEEARN N#Cc1ncn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000014143035 462913352 /nfs/dbraw/zinc/91/33/52/462913352.db2.gz PIOQPIHOSZOZHP-UHFFFAOYSA-N 0 0 329.669 2.461 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000015412851 462951729 /nfs/dbraw/zinc/95/17/29/462951729.db2.gz UKTFFQKQPQKOMT-UHFFFAOYSA-N 0 0 346.408 2.412 50 30 EEEARN O=c1[nH]ncc(NN=Cc2cc(Br)ccc2O)c1Cl ZINC000018889064 463012473 /nfs/dbraw/zinc/01/24/73/463012473.db2.gz HECADJIZTHVDJV-LNKIKWGQSA-N 0 0 343.568 2.337 50 30 EEEARN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C#N)cc1 ZINC000026830765 463173513 /nfs/dbraw/zinc/17/35/13/463173513.db2.gz UJXKSPRBOPMDSG-UHFFFAOYSA-N 0 0 331.353 2.287 50 30 EEEARN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)C1CCC1 ZINC000031118848 463326093 /nfs/dbraw/zinc/32/60/93/463326093.db2.gz CVKCOCORURUEEL-UHFFFAOYSA-N 0 0 341.390 2.314 50 30 EEEARN O=C(C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1)NO ZINC000141442514 463353262 /nfs/dbraw/zinc/35/32/62/463353262.db2.gz VKGUUSVYPXTWMA-JOCHJYFZSA-N 0 0 325.336 2.308 50 30 EEEARN CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1ccc(C(N)=O)cc1 ZINC000102687817 463390285 /nfs/dbraw/zinc/39/02/85/463390285.db2.gz LBABYNSRAVUCSE-OVCLIPMQSA-N 0 0 332.425 2.318 50 30 EEEARN C=CCNS(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739073 463427986 /nfs/dbraw/zinc/42/79/86/463427986.db2.gz OSCNNIAIAYIIPB-CVEARBPZSA-N 0 0 338.473 2.376 50 30 EEEARN Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)cc1F ZINC000082120927 463517443 /nfs/dbraw/zinc/51/74/43/463517443.db2.gz WJVCZGAKUNNGEC-UHFFFAOYSA-N 0 0 337.354 2.495 50 30 EEEARN COC(=O)c1cccc(OC[C@@H](O)CN(CCC#N)CC(C)C)c1 ZINC000006552525 522244082 /nfs/dbraw/zinc/24/40/82/522244082.db2.gz ULGWJAFIIXZFNX-INIZCTEOSA-N 0 0 334.416 2.085 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2ccccc2OC)C(=O)CC1(C)C ZINC000103694439 690099031 /nfs/dbraw/zinc/09/90/31/690099031.db2.gz KIWNOSNYBRBEMS-WOLCWHLNSA-N 0 0 331.368 2.348 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000952974191 796117093 /nfs/dbraw/zinc/11/70/93/796117093.db2.gz IZAHWZBPMRUJNS-MOPGFXCFSA-N 0 0 335.403 2.197 50 30 EEEARN COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(F)cc1 ZINC000004510943 210208522 /nfs/dbraw/zinc/20/85/22/210208522.db2.gz MLZGKGOPQINOFK-DJKKODMXSA-N 0 0 347.371 2.221 50 30 EEEARN CCOc1ccc([C@@H]2CCCN2C(=O)Cn2cnc(C#N)c2C#N)cc1 ZINC000126189998 222666225 /nfs/dbraw/zinc/66/62/25/222666225.db2.gz KOQDIAAXCLBBGR-KRWDZBQOSA-N 0 0 349.394 2.389 50 30 EEEARN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@]23C(=O)Nc2ccccc23)cc1 ZINC000066088230 215009031 /nfs/dbraw/zinc/00/90/31/215009031.db2.gz HNZHSBFVTBGNQG-IBGZPJMESA-N 0 0 335.315 2.394 50 30 EEEARN COC(=O)c1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000003907193 210091101 /nfs/dbraw/zinc/09/11/01/210091101.db2.gz UTMYCRXICSTYBZ-AWEZNQCLSA-N 0 0 342.330 2.226 50 30 EEEARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000003311508 210002811 /nfs/dbraw/zinc/00/28/11/210002811.db2.gz WPVUUEQQGXBQBH-UHFFFAOYSA-N 0 0 337.335 2.312 50 30 EEEARN N#Cc1ccccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000021699005 283216798 /nfs/dbraw/zinc/21/67/98/283216798.db2.gz LRAHCLHDQZSDLF-UHFFFAOYSA-N 0 0 342.376 2.453 50 30 EEEARN Cc1nn(C)c(C)c1-c1cc(-c2cnc(N(C)C)nc2)c(C#N)c(N)n1 ZINC000071752008 215809009 /nfs/dbraw/zinc/80/90/09/215809009.db2.gz NMOFJBFTJBSWFU-UHFFFAOYSA-N 0 0 348.414 2.076 50 30 EEEARN N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCCCC2 ZINC000000069812 209399865 /nfs/dbraw/zinc/39/98/65/209399865.db2.gz JYAIKSIGGORELE-UHFFFAOYSA-N 0 0 331.441 2.173 50 30 EEEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CN3CCOCC3)sc2C1 ZINC000020581437 212150489 /nfs/dbraw/zinc/15/04/89/212150489.db2.gz SOINWEPNXJHKQT-LBPRGKRZSA-N 0 0 333.457 2.405 50 30 EEEARN CCc1cc2c(ncn(CC(=O)NC3(C#N)CCCCC3)c2=O)s1 ZINC000019356418 212020900 /nfs/dbraw/zinc/02/09/00/212020900.db2.gz AAHHPZWRAPTPSJ-UHFFFAOYSA-N 0 0 344.440 2.363 50 30 EEEARN CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000014185645 211704993 /nfs/dbraw/zinc/70/49/93/211704993.db2.gz SHCNEWQSERDLJR-UHFFFAOYSA-N 0 0 334.372 2.397 50 30 EEEARN Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1[nH]c(=O)nnc1C ZINC000010257321 211158777 /nfs/dbraw/zinc/15/87/77/211158777.db2.gz FRWAWGFOZYLHQZ-CAOOACKPSA-N 0 0 343.778 2.479 50 30 EEEARN CCOC(=O)N1CCN(C(C)=C2C(=O)c3ccccc3C2=O)CC1 ZINC000000193803 276283351 /nfs/dbraw/zinc/28/33/51/276283351.db2.gz QCUUAGWDFXOFLM-UHFFFAOYSA-N 0 0 328.368 2.114 50 30 EEEARN Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccccc3C)c(=O)n2c1 ZINC000006809473 281163348 /nfs/dbraw/zinc/16/33/48/281163348.db2.gz BHINNGIPXXYEPB-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000381138 462558255 /nfs/dbraw/zinc/55/82/55/462558255.db2.gz QEXTVQZMDFSGFG-DZGCQCFKSA-N 0 0 346.339 2.058 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000000535241 462568728 /nfs/dbraw/zinc/56/87/28/462568728.db2.gz XBZWIIGDTOHFDK-INIZCTEOSA-N 0 0 343.358 2.397 50 30 EEEARN Cc1cc(C)nc(NC2=NCCN2C(=S)Nc2ccccc2)n1 ZINC000001264646 462578906 /nfs/dbraw/zinc/57/89/06/462578906.db2.gz RLGBLDFQCLCRLB-UHFFFAOYSA-N 0 0 326.429 2.383 50 30 EEEARN O=C1CS/C(=N\N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000003206554 462612411 /nfs/dbraw/zinc/61/24/11/462612411.db2.gz GFZZMKNKOZCZEY-VIZOYTHASA-N 0 0 330.325 2.408 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000006354933 462683451 /nfs/dbraw/zinc/68/34/51/462683451.db2.gz ZEHULFQJBGLOSZ-OAHLLOKOSA-N 0 0 348.424 2.313 50 30 EEEARN Cc1ccc(C(=O)Nc2nnc(SCC(=O)NO)s2)cc1C ZINC000075172964 462690733 /nfs/dbraw/zinc/69/07/33/462690733.db2.gz BHOGQLFTODBFQL-UHFFFAOYSA-N 0 0 338.414 2.005 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(OC)cc1 ZINC000006700014 462698175 /nfs/dbraw/zinc/69/81/75/462698175.db2.gz HFAWTOHEXACQHL-NSHDSACASA-N 0 0 348.428 2.190 50 30 EEEARN N#CCn1c2c3ccccc3oc2c(=O)n(Cc2ccccc2)c1=O ZINC000006858412 462709612 /nfs/dbraw/zinc/70/96/12/462709612.db2.gz HHPMYRCKSJMGLV-UHFFFAOYSA-N 0 0 331.331 2.481 50 30 EEEARN Cc1cc(C)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1C#N ZINC000007615980 462742361 /nfs/dbraw/zinc/74/23/61/462742361.db2.gz CADXIVXOYSXTPF-UHFFFAOYSA-N 0 0 343.814 2.349 50 30 EEEARN C#CC(CC)(CC)NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000007781266 462751127 /nfs/dbraw/zinc/75/11/27/462751127.db2.gz JSTMURVAZZFEOY-UHFFFAOYSA-N 0 0 337.379 2.451 50 30 EEEARN COCCN1C(N)=C(c2nc3ccccc3[nH]2)C(=O)[C@H]1c1ccccc1 ZINC000012560401 462856526 /nfs/dbraw/zinc/85/65/26/462856526.db2.gz LQUCUKUKCKBQSG-QGZVFWFLSA-N 0 0 348.406 2.463 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(F)cc1 ZINC000014683268 462929972 /nfs/dbraw/zinc/92/99/72/462929972.db2.gz WQTXOGNKLOWFQF-UHFFFAOYSA-N 0 0 341.386 2.294 50 30 EEEARN CC1(C)CC(=O)C=C(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)O1 ZINC000014959294 462937005 /nfs/dbraw/zinc/93/70/05/462937005.db2.gz QFVNOIROYFKEDR-MRXNPFEDSA-N 0 0 347.386 2.248 50 30 EEEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 ZINC000015502887 462954247 /nfs/dbraw/zinc/95/42/47/462954247.db2.gz MWKHFHDBSJZIEE-GOSISDBHSA-N 0 0 337.379 2.303 50 30 EEEARN C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000016290775 462973915 /nfs/dbraw/zinc/97/39/15/462973915.db2.gz SONLKJGFIRTMRN-LLVKDONJSA-N 0 0 336.465 2.251 50 30 EEEARN C=CCN1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 ZINC000067284368 462988216 /nfs/dbraw/zinc/98/82/16/462988216.db2.gz OZXSUGJANKVJKE-UHFFFAOYSA-N 0 0 346.822 2.146 50 30 EEEARN N#Cc1ccc(C=C2NC(=S)N(CCCn3ccnc3)C2=O)cc1 ZINC000017440259 463000312 /nfs/dbraw/zinc/00/03/12/463000312.db2.gz HFGGCZHJOIVDRT-GDNBJRDFSA-N 0 0 337.408 2.314 50 30 EEEARN CC(C)c1noc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000029452363 463258497 /nfs/dbraw/zinc/25/84/97/463258497.db2.gz MYGPHSHPMQJQHJ-ZDUSSCGKSA-N 0 0 326.404 2.343 50 30 EEEARN C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2C)C1 ZINC000032779912 463394260 /nfs/dbraw/zinc/39/42/60/463394260.db2.gz ZTYRLLZOVBDUKN-LLVKDONJSA-N 0 0 337.217 2.413 50 30 EEEARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)o1 ZINC000032801390 463395041 /nfs/dbraw/zinc/39/50/41/463395041.db2.gz ZUACPEZCZHQLBY-UHFFFAOYSA-N 0 0 347.396 2.480 50 30 EEEARN CC(=CC(O)=C(C#N)C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000103682084 463406439 /nfs/dbraw/zinc/40/64/39/463406439.db2.gz WDVKFNLOEGZCRE-YQOCHDBPSA-N 0 0 330.359 2.233 50 30 EEEARN CCOC(=O)c1ccc(N2N=C(C#N)C(=O)N3CCCCC[C@@H]32)cc1 ZINC000033436175 463422804 /nfs/dbraw/zinc/42/28/04/463422804.db2.gz ITGQTZYABUAKTM-INIZCTEOSA-N 0 0 340.383 2.292 50 30 EEEARN CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccccc1C#N ZINC000221279124 464121746 /nfs/dbraw/zinc/12/17/46/464121746.db2.gz RENPBRKJIRONQQ-AWEZNQCLSA-N 0 0 325.412 2.421 50 30 EEEARN COc1cc(C=NNc2nc3ccccc3n3cnnc23)ccc1O ZINC000252678349 464987834 /nfs/dbraw/zinc/98/78/34/464987834.db2.gz FFNZTSJHQQBFLS-UHFFFAOYSA-N 0 0 334.339 2.438 50 30 EEEARN Cc1ccc2oc(N=C(NC(=O)C3CC3)NC(=O)C3CC3)nc2c1 ZINC000004507488 524095043 /nfs/dbraw/zinc/09/50/43/524095043.db2.gz OZGKILYPCGINPI-UHFFFAOYSA-N 0 0 326.356 2.367 50 30 EEEARN CC/N=C1/S[C@@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC ZINC000100203611 1369631028 /nfs/dbraw/zinc/63/10/28/1369631028.db2.gz DNVGZJFGVOJQAF-PHODEOQFSA-N 0 0 335.429 2.364 50 30 EEEARN COc1cc(Br)cc(/C=N/n2c(C)nnc2C)c1O ZINC000004739529 210265939 /nfs/dbraw/zinc/26/59/39/210265939.db2.gz FNJMQEUCLYJHGM-MKMNVTDBSA-N 0 0 325.166 2.254 50 30 EEEARN C=CCNC(=O)CCc1nc(-c2ccc(OCC)c(OC)c2)no1 ZINC000004488182 210201187 /nfs/dbraw/zinc/20/11/87/210201187.db2.gz KTFMZRQUGSVATH-UHFFFAOYSA-N 0 0 331.372 2.379 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C#N)cc2)c1 ZINC000003555987 210054973 /nfs/dbraw/zinc/05/49/73/210054973.db2.gz JDIKZCQCDHWYOF-UHFFFAOYSA-N 0 0 344.392 2.166 50 30 EEEARN CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000002546507 209865414 /nfs/dbraw/zinc/86/54/14/209865414.db2.gz IJUNWOQSTPAYLS-CXUHLZMHSA-N 0 0 347.400 2.448 50 30 EEEARN N#Cc1cccc(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 ZINC000071775603 215825571 /nfs/dbraw/zinc/82/55/71/215825571.db2.gz OWCRCIRJBITPKD-AWEZNQCLSA-N 0 0 346.394 2.211 50 30 EEEARN COc1nccc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c1C#N ZINC000072167103 216058349 /nfs/dbraw/zinc/05/83/49/216058349.db2.gz BVOBOHKHCXJBMK-OAHLLOKOSA-N 0 0 348.406 2.142 50 30 EEEARN CCN(CC)c1ccc2c(C#N)c(C(=O)CC(=O)OC)c(=O)oc2c1 ZINC000000402160 209570249 /nfs/dbraw/zinc/57/02/49/209570249.db2.gz OJCSWSOLEQSFPD-UHFFFAOYSA-N 0 0 342.351 2.257 50 30 EEEARN N#Cc1cccnc1N1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000072408814 216199032 /nfs/dbraw/zinc/19/90/32/216199032.db2.gz OPSKTIUBRWMQCL-KRWDZBQOSA-N 0 0 340.402 2.166 50 30 EEEARN CC(=O)Nc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000011906257 211266289 /nfs/dbraw/zinc/26/62/89/211266289.db2.gz ZSVYWBRRWYZTJS-UHFFFAOYSA-N 0 0 347.378 2.238 50 30 EEEARN CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(C#N)c1 ZINC000007305516 210781690 /nfs/dbraw/zinc/78/16/90/210781690.db2.gz MIDDMIFJAMDYQH-UHFFFAOYSA-N 0 0 344.392 2.150 50 30 EEEARN CCCn1c2nc(C(C)C)nc(SCCC#N)c2c(=O)n(C)c1=O ZINC000007783506 258053280 /nfs/dbraw/zinc/05/32/80/258053280.db2.gz BYEPERMNOCUYIR-UHFFFAOYSA-N 0 0 347.444 2.029 50 30 EEEARN C=CCC(C(=O)OC)(C(=O)OC)c1c(Cl)cccc1[N+](=O)[O-] ZINC000012950270 277822101 /nfs/dbraw/zinc/82/21/01/277822101.db2.gz HYUFSKWTDGIWLZ-UHFFFAOYSA-N 0 0 327.720 2.408 50 30 EEEARN O=S1(=O)C[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000334157995 280384239 /nfs/dbraw/zinc/38/42/39/280384239.db2.gz GZZFBDQOIJHXCT-UWVGGRQHSA-P 0 0 337.368 2.123 50 30 EEEARN CCOc1cc(/C=N/NC(N)=S)cc(Br)c1OC ZINC000000369880 462557228 /nfs/dbraw/zinc/55/72/28/462557228.db2.gz GMDVMFQFGSRNOR-MKMNVTDBSA-N 0 0 332.223 2.024 50 30 EEEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](C)C2)[C@H]1c1cccnc1 ZINC000000384254 462558318 /nfs/dbraw/zinc/55/83/18/462558318.db2.gz VYKBVAGHTAOYHO-IINYFYTJSA-N 0 0 328.368 2.182 50 30 EEEARN COc1ccc2[nH]c3c(ncn(/N=C/c4ccccc4O)c3=O)c2c1 ZINC000000500542 462567964 /nfs/dbraw/zinc/56/79/64/462567964.db2.gz JMKLNOBUBJUJRW-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000001279624 462579221 /nfs/dbraw/zinc/57/92/21/462579221.db2.gz MOVOJKLYPOBHAC-SNVBAGLBSA-N 0 0 335.751 2.098 50 30 EEEARN COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cccs1 ZINC000001465104 462582638 /nfs/dbraw/zinc/58/26/38/462582638.db2.gz LBIQEDSSCQNNEE-LZYBPNLTSA-N 0 0 335.410 2.143 50 30 EEEARN Cc1c([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCC3)nn1C ZINC000002779267 462602341 /nfs/dbraw/zinc/60/23/41/462602341.db2.gz LQFQIYHOZWQVSK-UHFFFAOYSA-N 0 0 331.357 2.311 50 30 EEEARN C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000002851517 462605983 /nfs/dbraw/zinc/60/59/83/462605983.db2.gz RISCQYKYVBKSDR-GFCCVEGCSA-N 0 0 342.848 2.043 50 30 EEEARN CC(=O)C1=C(c2ccc(F)cc2)N(C(C)=O)n2c(C)nnc2S1 ZINC000004518270 462634114 /nfs/dbraw/zinc/63/41/14/462634114.db2.gz RFQKNKBQNLXOCE-UHFFFAOYSA-N 0 0 332.360 2.274 50 30 EEEARN Oc1cccc(C=NN2C(=S)NNC2=C2N=NC3=C2CCC3)c1 ZINC000005461161 462660728 /nfs/dbraw/zinc/66/07/28/462660728.db2.gz PRMLMPLOUVHPHW-LZYBPNLTSA-N 0 0 326.385 2.033 50 30 EEEARN CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000006742854 462702156 /nfs/dbraw/zinc/70/21/56/462702156.db2.gz IPXDVZOTJWTQDO-UHFFFAOYSA-N 0 0 349.456 2.339 50 30 EEEARN C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000008059706 462764835 /nfs/dbraw/zinc/76/48/35/462764835.db2.gz RVMLRNABIGJCIT-HUUCEWRRSA-N 0 0 336.482 2.062 50 30 EEEARN C=C(C)COc1c(C[N@@H+]2CC[C@H](O)C[C@@H]2C(=O)[O-])cccc1OC ZINC000065460229 462774651 /nfs/dbraw/zinc/77/46/51/462774651.db2.gz LOOHIECTSUFDBQ-LSDHHAIUSA-N 0 0 335.400 2.060 50 30 EEEARN O=C(Cc1ccc(F)cc1)NCC#CCOc1ccc2c(c1)OCO2 ZINC000090730796 462808526 /nfs/dbraw/zinc/80/85/26/462808526.db2.gz BJVMBWCNENVWHE-UHFFFAOYSA-N 0 0 341.338 2.296 50 30 EEEARN N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)nc1 ZINC000091575411 462889757 /nfs/dbraw/zinc/88/97/57/462889757.db2.gz VSAJPTDLFJRBRQ-DZGCQCFKSA-N 0 0 339.424 2.037 50 30 EEEARN C=CC[C@@]1(CO)CCCN(S(=O)(=O)CCOc2ccccc2)C1 ZINC000092022789 462921254 /nfs/dbraw/zinc/92/12/54/462921254.db2.gz BVAOWEGQWJKMPF-QGZVFWFLSA-N 0 0 339.457 2.046 50 30 EEEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ccccc1[N+](=O)[O-] ZINC000015773577 462962378 /nfs/dbraw/zinc/96/23/78/462962378.db2.gz KEMGCBREPNRODV-UHFFFAOYSA-N 0 0 327.256 2.271 50 30 EEEARN Cc1ccc2[nH]c(CN3CCN(c4nccnc4C#N)CC3)nc2c1C ZINC000067713095 463042706 /nfs/dbraw/zinc/04/27/06/463042706.db2.gz LGLOWDWAFXDZDH-UHFFFAOYSA-N 0 0 347.426 2.164 50 30 EEEARN C=CCn1cc(CN(CCN2CCOCC2)Cc2ccco2)c(C)n1 ZINC000055060842 463281253 /nfs/dbraw/zinc/28/12/53/463281253.db2.gz VJFBSEOCCHZGMF-UHFFFAOYSA-N 0 0 344.459 2.305 50 30 EEEARN COc1cccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)c1OC ZINC000104257764 463410795 /nfs/dbraw/zinc/41/07/95/463410795.db2.gz MAGAWHARMBZCAR-QIAWRQBBSA-N 0 0 328.368 2.048 50 30 EEEARN CN(CCC1CCOCC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000127247256 463691191 /nfs/dbraw/zinc/69/11/91/463691191.db2.gz HQXHUOQCSHTAMU-UHFFFAOYSA-N 0 0 326.393 2.135 50 30 EEEARN CC(C)c1ocnc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000214948177 464105711 /nfs/dbraw/zinc/10/57/11/464105711.db2.gz PLUFIGCINAHIJN-UHFFFAOYSA-N 0 0 325.372 2.027 50 30 EEEARN C=CCN(CC#Cc1ccccc1)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 ZINC000055154415 518744496 /nfs/dbraw/zinc/74/44/96/518744496.db2.gz JYGOBWYFWPICDW-WBVHZDCISA-N 0 0 341.480 2.068 50 30 EEEARN COc1ccc(C2CC(=O)C(=CNCCc3c[nH]cn3)C(=O)C2)cc1 ZINC000003766888 523882750 /nfs/dbraw/zinc/88/27/50/523882750.db2.gz CFSDYAPTIFWNOP-UHFFFAOYSA-N 0 0 339.395 2.150 50 30 EEEARN COc1ccc(CC(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013957765 523913149 /nfs/dbraw/zinc/91/31/49/523913149.db2.gz NKVZFDLVJBOVQI-UHFFFAOYSA-N 0 0 329.312 2.010 50 30 EEEARN Cc1cccc(NC(=O)CN(C)CC(=O)NC2(C#N)CCCC2)c1C ZINC000008152770 524588043 /nfs/dbraw/zinc/58/80/43/524588043.db2.gz VKQDTFNGLVMMBT-UHFFFAOYSA-N 0 0 342.443 2.126 50 30 EEEARN N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cccc(C#N)c2)cc1 ZINC000223764578 1369632025 /nfs/dbraw/zinc/63/20/25/1369632025.db2.gz BYVLNIUTLXKHHB-RTBURBONSA-N 0 0 347.374 2.396 50 30 EEEARN Cc1cn2nc(N3CC[C@H](CNc4ccc(C#N)cn4)C3)sc2n1 ZINC000065478125 214927129 /nfs/dbraw/zinc/92/71/29/214927129.db2.gz NKCWZKWDWVDZET-CYBMUJFWSA-N 0 0 339.428 2.304 50 30 EEEARN CC1=CC(=O)C=C/C1=N/OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003106635 209964200 /nfs/dbraw/zinc/96/42/00/209964200.db2.gz WDWUNAKUYIQIGL-SQFISAMPSA-N 0 0 331.240 2.101 50 30 EEEARN C#CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1OCCc2ccccc21 ZINC000072230272 216071247 /nfs/dbraw/zinc/07/12/47/216071247.db2.gz MNFVRDUYUAYVNU-MOPGFXCFSA-N 0 0 326.440 2.247 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccccc1C ZINC000016606945 291301371 /nfs/dbraw/zinc/30/13/71/291301371.db2.gz BKEPXBJNGPWEGT-GHJWDPDVSA-N 0 0 327.380 2.251 50 30 EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1cccc(C)c1 ZINC000101773931 291301491 /nfs/dbraw/zinc/30/14/91/291301491.db2.gz MQFJELARWFGEHX-RBOXIYTFSA-N 0 0 327.380 2.251 50 30 EEEARN C#CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000022760409 212321172 /nfs/dbraw/zinc/32/11/72/212321172.db2.gz VRJYFPQFQYHHRI-UHFFFAOYSA-N 0 0 343.404 2.434 50 30 EEEARN N#Cc1cccc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 ZINC000021624730 212234890 /nfs/dbraw/zinc/23/48/90/212234890.db2.gz ZVASGMTXMXZEPR-CYBMUJFWSA-N 0 0 349.437 2.211 50 30 EEEARN O=C1c2ccccc2C(=O)C(N2CCOCC2)=C1NC1CCCC1 ZINC000020060336 212098749 /nfs/dbraw/zinc/09/87/49/212098749.db2.gz RFQLEMKSZIWSSK-UHFFFAOYSA-N 0 0 326.396 2.142 50 30 EEEARN C=CCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)C1CC1 ZINC000004919324 210324271 /nfs/dbraw/zinc/32/42/71/210324271.db2.gz CIWFJADOTQEANW-QGZVFWFLSA-N 0 0 346.427 2.212 50 30 EEEARN N#Cc1c2c(sc1NC(=O)C(=O)NCc1ccccn1)CCCC2 ZINC000004855483 210302101 /nfs/dbraw/zinc/30/21/01/210302101.db2.gz XDNNRONXAKXLQF-UHFFFAOYSA-N 0 0 340.408 2.148 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1/C=C/c1ccccc1OC ZINC000004845137 210297778 /nfs/dbraw/zinc/29/77/78/210297778.db2.gz JCFGNHSQKKWCNT-HBWSCVEGSA-N 0 0 328.368 2.393 50 30 EEEARN C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000004785176 210278830 /nfs/dbraw/zinc/27/88/30/210278830.db2.gz FVMHLIJHRGDVGZ-LLVKDONJSA-N 0 0 335.341 2.173 50 30 EEEARN C=CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002170583 258017537 /nfs/dbraw/zinc/01/75/37/258017537.db2.gz YRJBPYUSWPVPES-QGZVFWFLSA-N 0 0 344.436 2.295 50 30 EEEARN N#Cc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000052537444 132184353 /nfs/dbraw/zinc/18/43/53/132184353.db2.gz VIYDXLYTDDIBIK-UHFFFAOYSA-N 0 0 338.386 2.458 50 30 EEEARN C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cc1ccsc1 ZINC000082106363 132818737 /nfs/dbraw/zinc/81/87/37/132818737.db2.gz VCHCRUISJSUCPW-CYBMUJFWSA-N 0 0 339.420 2.426 50 30 EEEARN CCn1cc2[nH]c(OC)c(CNc3nc(C)ccc3C#N)cc-2c1=O ZINC000071661305 263979619 /nfs/dbraw/zinc/97/96/19/263979619.db2.gz LIGSVEHBIAYRAB-UHFFFAOYSA-N 0 0 337.383 2.253 50 30 EEEARN CCOC(=O)CNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000004121366 276279262 /nfs/dbraw/zinc/27/92/62/276279262.db2.gz VSJSRIYFTDQIDB-UHFFFAOYSA-N 0 0 329.396 2.026 50 30 EEEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004716203 277873068 /nfs/dbraw/zinc/87/30/68/277873068.db2.gz REEHKSYZWDRCPQ-AWEZNQCLSA-N 0 0 341.327 2.204 50 30 EEEARN N#Cc1cccc(NC(=O)c2cn(C[C@H](O)c3cccs3)nn2)c1 ZINC000085470493 462550518 /nfs/dbraw/zinc/55/05/18/462550518.db2.gz DWSDYROFPBHIKS-AWEZNQCLSA-N 0 0 339.380 2.197 50 30 EEEARN CC(=O)C(=NNc1ccc(I)cc1)C(C)=O ZINC000000588074 462571144 /nfs/dbraw/zinc/57/11/44/462571144.db2.gz PMCLSUJYKGOJRV-UHFFFAOYSA-N 0 0 330.125 2.237 50 30 EEEARN Cc1ccc(S(=O)(=O)c2c(C#N)c(C(F)(F)F)nn2C)cc1 ZINC000001391302 462580983 /nfs/dbraw/zinc/58/09/83/462580983.db2.gz FIUHELJQRUNGJK-UHFFFAOYSA-N 0 0 329.303 2.452 50 30 EEEARN CCOC(Cn1c(SCC#N)nc2ccccc2c1=O)OCC ZINC000002971837 462609030 /nfs/dbraw/zinc/60/90/30/462609030.db2.gz NNSUQSDKUCVNBE-UHFFFAOYSA-N 0 0 333.413 2.411 50 30 EEEARN CN1CCO[C@H]([C@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000128752248 462668597 /nfs/dbraw/zinc/66/85/97/462668597.db2.gz IDSHYOSKGHINLZ-DOTOQJQBSA-N 0 0 343.818 2.485 50 30 EEEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000005981641 462673623 /nfs/dbraw/zinc/67/36/23/462673623.db2.gz QRKASXSSTQDTOA-VCHYOVAHSA-N 0 0 339.380 2.298 50 30 EEEARN N#CC1(NC(=O)CSc2nnc3n2CCCCC3)CCCCC1 ZINC000006097974 462677698 /nfs/dbraw/zinc/67/76/98/462677698.db2.gz FUTYHASRJQHHOZ-UHFFFAOYSA-N 0 0 333.461 2.439 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(N)n[nH]3)sc2C1 ZINC000006416676 462685436 /nfs/dbraw/zinc/68/54/36/462685436.db2.gz ZBEVYICBWGPXSJ-ZETCQYMHSA-N 0 0 348.457 2.176 50 30 EEEARN COCCN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000006558826 462690401 /nfs/dbraw/zinc/69/04/01/462690401.db2.gz WWGXZVFECWRKDM-UHFFFAOYSA-N 0 0 330.409 2.396 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccccc21 ZINC000007141174 462723867 /nfs/dbraw/zinc/72/38/67/462723867.db2.gz ACDDOLYFHDVRSN-UHFFFAOYSA-N 0 0 349.306 2.427 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCCOc1ccccc1 ZINC000007986956 462761520 /nfs/dbraw/zinc/76/15/20/462761520.db2.gz PEEMWQHXYGGDLU-GOSISDBHSA-N 0 0 332.400 2.443 50 30 EEEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCCO ZINC000009486114 462804398 /nfs/dbraw/zinc/80/43/98/462804398.db2.gz ALFGOPVPBUKYFI-UHFFFAOYSA-N 0 0 349.843 2.358 50 30 EEEARN C=CCn1cnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000009912003 462809715 /nfs/dbraw/zinc/80/97/15/462809715.db2.gz FWEDNGXDIGAVSY-LLVKDONJSA-N 0 0 346.412 2.162 50 30 EEEARN CS(=O)(=O)c1nc2ccccc2n1CCOc1ccc(C#N)cc1 ZINC000012540477 462855274 /nfs/dbraw/zinc/85/52/74/462855274.db2.gz BEBIJJBAAOROHE-UHFFFAOYSA-N 0 0 341.392 2.390 50 30 EEEARN C/C(=N\NC(N)=S)c1cc2cc(Br)ccc2oc1=O ZINC000013739311 462903888 /nfs/dbraw/zinc/90/38/88/462903888.db2.gz ZHVKHBXLJAHMBY-GIDUJCDVSA-N 0 0 340.202 2.113 50 30 EEEARN Cc1cc(C)n2nc(C(=O)OCc3cn4ccccc4c3C#N)nc2n1 ZINC000014852438 462933681 /nfs/dbraw/zinc/93/36/81/462933681.db2.gz AQVDCTFNGMBFRX-UHFFFAOYSA-N 0 0 346.350 2.223 50 30 EEEARN N#Cc1cccnc1N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095524742 463103007 /nfs/dbraw/zinc/10/30/07/463103007.db2.gz MFVUGKUPKLBRIW-DZGCQCFKSA-N 0 0 339.424 2.037 50 30 EEEARN N#Cc1ccnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC000029522011 463260667 /nfs/dbraw/zinc/26/06/67/463260667.db2.gz FWCOUQVWSJZMCO-UHFFFAOYSA-N 0 0 334.305 2.089 50 30 EEEARN Cc1[nH][nH]c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100363955 463373249 /nfs/dbraw/zinc/37/32/49/463373249.db2.gz JGLGUOLSSHYZSX-OLZOCXBDSA-N 0 0 331.173 2.318 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000101329420 463377468 /nfs/dbraw/zinc/37/74/68/463377468.db2.gz NWUXBZWNOPUFOF-DHSIGJKJSA-N 0 0 346.358 2.039 50 30 EEEARN N#Cc1cccc(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000070925704 463394633 /nfs/dbraw/zinc/39/46/33/463394633.db2.gz GUMSEFLXARCTQN-UHFFFAOYSA-N 0 0 348.406 2.235 50 30 EEEARN COc1cc(NC(=O)c2cccc(C#N)c2)ccc1NS(C)(=O)=O ZINC000032818595 463396135 /nfs/dbraw/zinc/39/61/35/463396135.db2.gz VYPWAONQZHJWQD-UHFFFAOYSA-N 0 0 345.380 2.191 50 30 EEEARN C=CCNc1nc(C(N)=O)c(NC(=O)c2cccc(OC)c2)s1 ZINC000033328648 463420543 /nfs/dbraw/zinc/42/05/43/463420543.db2.gz JVCBMGDUMMPRHW-UHFFFAOYSA-N 0 0 332.385 2.101 50 30 EEEARN COc1nccc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)c1C#N ZINC000222326303 464129101 /nfs/dbraw/zinc/12/91/01/464129101.db2.gz QAVYVIUWRQHJGL-IAGOWNOFSA-N 0 0 340.383 2.143 50 30 EEEARN N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 ZINC000225485826 464165262 /nfs/dbraw/zinc/16/52/62/464165262.db2.gz HFCSGPIJVLZWTH-INIZCTEOSA-N 0 0 347.378 2.285 50 30 EEEARN CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@@H]1[C@@H]32 ZINC000247526672 464690152 /nfs/dbraw/zinc/69/01/52/464690152.db2.gz NKITVIAMISOQED-NMPAGYRCSA-N 0 0 330.446 2.309 50 30 EEEARN COc1ccc(CC(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004889019 523912310 /nfs/dbraw/zinc/91/23/10/523912310.db2.gz VQGOEXANDGHMHO-UHFFFAOYSA-N 0 0 329.312 2.010 50 30 EEEARN Cn1nnnc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000012603574 527657835 /nfs/dbraw/zinc/65/78/35/527657835.db2.gz ZYWIRPBJZQTOCS-ZROIWOOFSA-N 0 0 329.429 2.183 50 30 EEEARN Cc1nonc1OCCNC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000219592082 564035034 /nfs/dbraw/zinc/03/50/34/564035034.db2.gz BSYAIYUYQCRMDL-UHFFFAOYSA-N 0 0 341.367 2.080 50 30 EEEARN C=CCN1C(=O)[C@@H](C)S/C1=N\S(=O)(=O)c1ccc(F)cc1 ZINC000002637940 1202484158 /nfs/dbraw/zinc/48/41/58/1202484158.db2.gz RHZTVBRKKWEYHJ-ZVNCQBAKSA-N 0 0 328.390 2.020 50 30 EEEARN N#Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N ZINC000018191090 1367616011 /nfs/dbraw/zinc/61/60/11/1367616011.db2.gz DRLOSMZDKHKAMI-UHFFFAOYSA-N 0 0 334.364 2.010 50 30 EEEARN C=CCN1C[C@H](C(=O)NCCCc2nc3ccccc3s2)CC1=O ZINC000952867588 796072059 /nfs/dbraw/zinc/07/20/59/796072059.db2.gz QSSJYJKBWGRJKI-CYBMUJFWSA-N 0 0 343.452 2.380 50 30 EEEARN Cc1nn(-c2cc(Nc3c(F)cccc3F)ncn2)c(N)c1C#N ZINC000008715301 282236706 /nfs/dbraw/zinc/23/67/06/282236706.db2.gz OJQXOYDETCDRLE-UHFFFAOYSA-N 0 0 327.298 2.446 50 30 EEEARN CC(=O)C(=NNc1cc([N+](=O)[O-])ccc1Br)C(C)=O ZINC000004070968 210112320 /nfs/dbraw/zinc/11/23/20/210112320.db2.gz OTKCPFOSGRMJKV-UHFFFAOYSA-N 0 0 328.122 2.303 50 30 EEEARN Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1C(F)(F)F ZINC000003414161 210033023 /nfs/dbraw/zinc/03/30/23/210033023.db2.gz CUHIDPQSIRMCTI-UHFFFAOYSA-N 0 0 341.318 2.436 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000535316 209653966 /nfs/dbraw/zinc/65/39/66/209653966.db2.gz QIQIBGPRJOSTGG-OAHLLOKOSA-N 0 0 339.307 2.479 50 30 EEEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)ON1C(=O)c2ccccc2C1=O ZINC000000467182 209618399 /nfs/dbraw/zinc/61/83/99/209618399.db2.gz NNHZUMCAGQZDME-JXMROGBWSA-N 0 0 338.275 2.362 50 30 EEEARN COCCCN1C[C@@]2(CCCN(c3cccc(C#N)n3)C2)CCC1=O ZINC000072433414 216228465 /nfs/dbraw/zinc/22/84/65/216228465.db2.gz WQMBKTYHIZMJCW-IBGZPJMESA-N 0 0 342.443 2.199 50 30 EEEARN Cc1nnc(NC(=O)N2CCN(Cc3ccccc3C#N)CC2)s1 ZINC000023153515 212356744 /nfs/dbraw/zinc/35/67/44/212356744.db2.gz ALLHICAYXPKHPB-UHFFFAOYSA-N 0 0 342.428 2.068 50 30 EEEARN N#Cc1ncccc1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000426739150 241333416 /nfs/dbraw/zinc/33/34/16/241333416.db2.gz ZBIDSDQNSCSJBC-UHFFFAOYSA-N 0 0 348.406 2.363 50 30 EEEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C)CC3)sc2C1 ZINC000020661373 212160299 /nfs/dbraw/zinc/16/02/99/212160299.db2.gz OVWIQUBUVDERMW-CYBMUJFWSA-N 0 0 346.500 2.321 50 30 EEEARN N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000012984566 211500741 /nfs/dbraw/zinc/50/07/41/211500741.db2.gz LBMSOCGOMRWQOB-QGZVFWFLSA-N 0 0 346.383 2.460 50 30 EEEARN C#CCOc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OC ZINC000012419218 211374368 /nfs/dbraw/zinc/37/43/68/211374368.db2.gz UDVLKJNJJVBBQX-SNVBAGLBSA-N 0 0 329.381 2.220 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2C1 ZINC000012216103 211322598 /nfs/dbraw/zinc/32/25/98/211322598.db2.gz YFSOIFRPYFWSSQ-UHFFFAOYSA-N 0 0 341.436 2.442 50 30 EEEARN C=CC[C@@]1(CO)CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000091934606 218091616 /nfs/dbraw/zinc/09/16/16/218091616.db2.gz WSYYAEZDZBCNSW-LJQANCHMSA-N 0 0 343.427 2.007 50 30 EEEARN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncccc2C)c1 ZINC000009376353 211077466 /nfs/dbraw/zinc/07/74/66/211077466.db2.gz TXOZPZNDSKQCOU-UHFFFAOYSA-N 0 0 331.397 2.107 50 30 EEEARN C=CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O ZINC000009096440 211040894 /nfs/dbraw/zinc/04/08/94/211040894.db2.gz LSCCUSAQDBXVBZ-UHFFFAOYSA-N 0 0 340.427 2.142 50 30 EEEARN CC(=O)N1CCc2cc(Nc3ncnc4c3cnn4CCC#N)ccc21 ZINC000097199774 218988501 /nfs/dbraw/zinc/98/85/01/218988501.db2.gz NTPUYBPRDPYLOA-UHFFFAOYSA-N 0 0 347.382 2.393 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccccc1C ZINC000006741823 258044259 /nfs/dbraw/zinc/04/42/59/258044259.db2.gz IFCOPBBXDWGZKC-LBPRGKRZSA-N 0 0 332.429 2.490 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(O)cc1 ZINC000004312019 258002895 /nfs/dbraw/zinc/00/28/95/258002895.db2.gz KRLLOCBYYQXZLU-OAHLLOKOSA-N 0 0 343.335 2.210 50 30 biogenic EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F ZINC000102798794 258069549 /nfs/dbraw/zinc/06/95/49/258069549.db2.gz BZBJEPNZBGTPJF-DPEHCCBOSA-N 0 0 345.326 2.487 50 30 EEEARN N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000226075424 303158267 /nfs/dbraw/zinc/15/82/67/303158267.db2.gz SJQSKMOFIMXZTC-GJZGRUSLSA-N 0 0 329.363 2.488 50 30 EEEARN CCOC(=O)COc1c(Br)cc(/C=N/O)cc1OC ZINC000000370841 462557338 /nfs/dbraw/zinc/55/73/38/462557338.db2.gz UDXWRMBKTQXENQ-MKMNVTDBSA-N 0 0 332.150 2.208 50 30 EEEARN C=CCn1c(SCC(N)=O)nc2scc(-c3ccco3)c2c1=O ZINC000000466617 462564999 /nfs/dbraw/zinc/56/49/99/462564999.db2.gz FSYBELMAKCTLKX-UHFFFAOYSA-N 0 0 347.421 2.481 50 30 EEEARN C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002059282 462589426 /nfs/dbraw/zinc/58/94/26/462589426.db2.gz AIYOVQQKAJQHLP-AWEZNQCLSA-N 0 0 331.328 2.294 50 30 EEEARN C=CCOC(=O)[C@@]12C[C@@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O ZINC000004114257 462627477 /nfs/dbraw/zinc/62/74/77/462627477.db2.gz OXEJIIKLRXTAFZ-ZTFGCOKTSA-N 0 0 330.336 2.130 50 30 EEEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1cccs1 ZINC000004178387 462629185 /nfs/dbraw/zinc/62/91/85/462629185.db2.gz ORPJYTNIUCZOKA-LBPRGKRZSA-N 0 0 343.408 2.325 50 30 EEEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1 ZINC000005687412 462667664 /nfs/dbraw/zinc/66/76/64/462667664.db2.gz VCKBZGLPVQRPNA-INIZCTEOSA-N 0 0 341.338 2.396 50 30 EEEARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)NO ZINC000075172961 462690936 /nfs/dbraw/zinc/69/09/36/462690936.db2.gz ZHMXJSMAHROGDG-UHFFFAOYSA-N 0 0 344.805 2.041 50 30 EEEARN N#Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000006637471 462693242 /nfs/dbraw/zinc/69/32/42/462693242.db2.gz LOBHJAJJWHJQSY-UHFFFAOYSA-N 0 0 338.319 2.125 50 30 EEEARN COc1ccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@@H](C(C)C)C3)cc1 ZINC000006760184 462702788 /nfs/dbraw/zinc/70/27/88/462702788.db2.gz GXYMTXSHSMCWJR-QGZVFWFLSA-N 0 0 339.395 2.397 50 30 EEEARN COc1ccccc1OCC#CCNS(=O)(=O)c1cccs1 ZINC000090610424 462802835 /nfs/dbraw/zinc/80/28/35/462802835.db2.gz LAADUZSUYLMPPM-UHFFFAOYSA-N 0 0 337.422 2.117 50 30 EEEARN COC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 ZINC000013736325 462903805 /nfs/dbraw/zinc/90/38/05/462903805.db2.gz IJWNVCRZTFSTFL-UHFFFAOYSA-N 0 0 343.408 2.263 50 30 EEEARN COc1nccc(N2CCN(Cc3ccc(C)cc3)C(=O)C2)c1C#N ZINC000077287784 462963415 /nfs/dbraw/zinc/96/34/15/462963415.db2.gz VJUPNRKMDLKQAS-UHFFFAOYSA-N 0 0 336.395 2.119 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2C1 ZINC000017321995 462997627 /nfs/dbraw/zinc/99/76/27/462997627.db2.gz PNZMETKTMKQFCA-UHFFFAOYSA-N 0 0 335.407 2.381 50 30 EEEARN COC(=O)[C@H]1SC(=CC(=O)c2ccccc2)S[C@@H]1C(=O)OC ZINC000018194639 463009697 /nfs/dbraw/zinc/00/96/97/463009697.db2.gz XCNVXOOWOSSUAS-STQMWFEESA-N 0 0 338.406 2.274 50 30 EEEARN N#Cc1ccsc1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000026768750 463170950 /nfs/dbraw/zinc/17/09/50/463170950.db2.gz VWLRRTKZDNRIEG-UHFFFAOYSA-N 0 0 332.410 2.384 50 30 EEEARN Cc1cc(NC(=O)C2CCN(c3nnc(C)c(C)c3C#N)CC2)no1 ZINC000029441130 463257220 /nfs/dbraw/zinc/25/72/20/463257220.db2.gz MOEJNYKEHBGNAV-UHFFFAOYSA-N 0 0 340.387 2.117 50 30 EEEARN COc1cc(/N=C/c2c(O)c(C)ncc2CO)cc(OC)c1OC ZINC000096901021 463300286 /nfs/dbraw/zinc/30/02/86/463300286.db2.gz PSIRHOWWDLODMR-UFWORHAWSA-N 0 0 332.356 2.364 50 30 EEEARN COc1ccc(C=CC(O)=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000104257810 463410595 /nfs/dbraw/zinc/41/05/95/463410595.db2.gz MIWZZPKQMXGLNF-BRLPQQTGSA-N 0 0 328.368 2.048 50 30 EEEARN C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000670459827 485650921 /nfs/dbraw/zinc/65/09/21/485650921.db2.gz MKMBHYTUYBMLNG-AWEZNQCLSA-N 0 0 326.400 2.269 50 30 EEEARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N=C1NCCS1 ZINC000036724886 519798505 /nfs/dbraw/zinc/79/85/05/519798505.db2.gz CQJUGUFJLRGCBU-GFCCVEGCSA-N 0 0 339.848 2.313 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000003342571 519829088 /nfs/dbraw/zinc/82/90/88/519829088.db2.gz KRXKYWVWZWWBTG-INIZCTEOSA-N 0 0 344.444 2.024 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)NC2(C#N)CCCCC2)n1 ZINC000011443578 521343311 /nfs/dbraw/zinc/34/33/11/521343311.db2.gz FGILWSPITLQNEJ-UHFFFAOYSA-N 0 0 334.445 2.157 50 30 EEEARN COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000026017754 524732499 /nfs/dbraw/zinc/73/24/99/524732499.db2.gz FLPLBQWLMHVCCA-NSHDSACASA-N 0 0 340.335 2.456 50 30 EEEARN C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000023922891 524971427 /nfs/dbraw/zinc/97/14/27/524971427.db2.gz RZOKCKWZUAIMBC-AWEZNQCLSA-N 0 0 337.379 2.275 50 30 EEEARN COc1cc(C=CC(=O)c2c(C)nc(C)[nH]c2=O)cc(OC)c1O ZINC000013005441 1205858272 /nfs/dbraw/zinc/85/82/72/1205858272.db2.gz AXKPXRACUZFYNX-AATRIKPKSA-N 0 0 330.340 2.006 50 30 EEEARN C=CCN(Cc1ccccc1C)C(=O)CCSc1nnnn1C ZINC000055255393 214296568 /nfs/dbraw/zinc/29/65/68/214296568.db2.gz PQGADVYWQOMWCP-UHFFFAOYSA-N 0 0 331.445 2.216 50 30 EEEARN C=C(C)COc1ccccc1C(=O)N1CCOC[C@@H]1CC(=O)OCC ZINC000055383398 214314746 /nfs/dbraw/zinc/31/47/46/214314746.db2.gz DVZMEVUMFDBWDZ-HNNXBMFYSA-N 0 0 347.411 2.436 50 30 EEEARN CC/N=C1/S[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N1CC ZINC000100105503 219091724 /nfs/dbraw/zinc/09/17/24/219091724.db2.gz GZFBPKGBJPZXAM-PHODEOQFSA-N 0 0 335.429 2.364 50 30 EEEARN N#Cc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003603797 210063027 /nfs/dbraw/zinc/06/30/27/210063027.db2.gz GJYKKRMIUVORRU-UHFFFAOYSA-N 0 0 338.323 2.225 50 30 EEEARN O=C(Nc1ccccc1)[C@H]1CC(=O)N=C(NN=Cc2ccco2)S1 ZINC000000507199 209638957 /nfs/dbraw/zinc/63/89/57/209638957.db2.gz PVQSWVJASJUFDE-VGSSETLESA-N 0 0 342.380 2.230 50 30 EEEARN N#Cc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1 ZINC000036394115 213095698 /nfs/dbraw/zinc/09/56/98/213095698.db2.gz JAYHXEPDWSIQJS-UHFFFAOYSA-N 0 0 327.771 2.371 50 30 EEEARN CCCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nnnn21 ZINC000004368780 283411638 /nfs/dbraw/zinc/41/16/38/283411638.db2.gz CADQBJNINOJPCE-MRXNPFEDSA-N 0 0 325.372 2.484 50 30 EEEARN C=C(C)Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 ZINC000000236982 209498091 /nfs/dbraw/zinc/49/80/91/209498091.db2.gz AUVQJLZOHUYGSB-UHFFFAOYSA-N 0 0 349.481 2.490 50 30 EEEARN O=C(ON1C(=O)CCC1=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000072400664 216194231 /nfs/dbraw/zinc/19/42/31/216194231.db2.gz INRPFQHJCXWTGK-UHFFFAOYSA-N 0 0 327.218 2.088 50 30 in-vitro EEEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccccc1C ZINC000006819986 291301837 /nfs/dbraw/zinc/30/18/37/291301837.db2.gz BKEPXBJNGPWEGT-KFNAQCHYSA-N 0 0 327.380 2.251 50 30 EEEARN C=CCNC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000022689214 212318037 /nfs/dbraw/zinc/31/80/37/212318037.db2.gz UANCPUNURNCSNY-KRWDZBQOSA-N 0 0 346.452 2.445 50 30 EEEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1 ZINC000015502889 211828055 /nfs/dbraw/zinc/82/80/55/211828055.db2.gz MWKHFHDBSJZIEE-SFHVURJKSA-N 0 0 337.379 2.303 50 30 EEEARN Cc1nn(CCC(=O)Nc2cccc(Cl)c2)c(=O)c(C#N)c1C ZINC000012817981 211465537 /nfs/dbraw/zinc/46/55/37/211465537.db2.gz KBHCGSZPFGZEEE-UHFFFAOYSA-N 0 0 330.775 2.414 50 30 EEEARN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(C#CCO)cs2)C[C@H]1c1ccccc1 ZINC000091747019 218059268 /nfs/dbraw/zinc/05/92/68/218059268.db2.gz KWNSDMSOGWULOD-ZWKOTPCHSA-N 0 0 341.432 2.392 50 30 EEEARN C=CCC(O)(CC=C)CNC(=O)c1cn(Cc2ccccc2F)nn1 ZINC000011661386 211228879 /nfs/dbraw/zinc/22/88/79/211228879.db2.gz NCWGJDLGCREMML-UHFFFAOYSA-N 0 0 344.390 2.079 50 30 EEEARN N#Cc1cccc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000011627797 211228524 /nfs/dbraw/zinc/22/85/24/211228524.db2.gz PPUHMFWXKATDMC-HOTGVXAUSA-N 0 0 340.379 2.167 50 30 EEEARN N#Cc1ccc(OCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 ZINC000008890399 211015535 /nfs/dbraw/zinc/01/55/35/211015535.db2.gz SAZFWLUWRXTANA-HXUWFJFHSA-N 0 0 347.374 2.331 50 30 EEEARN C=CCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000000995469 258017445 /nfs/dbraw/zinc/01/74/45/258017445.db2.gz XGXZDCKHKKSXEJ-UHFFFAOYSA-N 0 0 346.774 2.065 50 30 EEEARN COC1(OC)[C@H](/C=C/c2ccccc2)C(C#N)(C#N)C1(OC)OC ZINC000000340861 292128074 /nfs/dbraw/zinc/12/80/74/292128074.db2.gz NXUPXBDUVJSWJJ-AUECHBEKSA-N 0 0 328.368 2.341 50 30 EEEARN Cc1cccn2c1nc1c(cc(C#N)c(=O)n1-c1ccccc1F)c2=O ZINC000006809464 281404241 /nfs/dbraw/zinc/40/42/41/281404241.db2.gz YOGWNTBWBWCYPW-UHFFFAOYSA-N 0 0 346.321 2.318 50 30 EEEARN Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCOCC2)cc1 ZINC000017858794 301658489 /nfs/dbraw/zinc/65/84/89/301658489.db2.gz CYMNENNJRJQNSV-VHEBQXMUSA-N 0 0 344.436 2.463 50 30 EEEARN COc1ccc(/C(C)=N\NS(=O)(=O)c2ccccc2)cc1OC ZINC000000369226 462557210 /nfs/dbraw/zinc/55/72/10/462557210.db2.gz ZEHUTGJKFLTPQQ-ATVHPVEESA-N 0 0 334.397 2.406 50 30 EEEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000381136 462558197 /nfs/dbraw/zinc/55/81/97/462558197.db2.gz QEXTVQZMDFSGFG-UKRRQHHQSA-N 0 0 346.339 2.058 50 30 EEEARN COCc1cc(C)n(CC(=O)N[C@H](C)c2ccccc2)c(=O)c1C#N ZINC000000810873 462573135 /nfs/dbraw/zinc/57/31/35/462573135.db2.gz PSOZOOBNNYBSGJ-CQSZACIVSA-N 0 0 339.395 2.052 50 30 EEEARN CCOC(=O)COc1c(/C=N\OC)cc(Br)cc1OC ZINC000005195565 462649726 /nfs/dbraw/zinc/64/97/26/462649726.db2.gz FGKJWMZVBFTWHT-CHHVJCJISA-N 0 0 346.177 2.380 50 30 EEEARN N#Cc1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000128745175 462666997 /nfs/dbraw/zinc/66/69/97/462666997.db2.gz LAWFSZBJNHALAG-UHFFFAOYSA-N 0 0 342.833 2.059 50 30 EEEARN CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1 ZINC000006746249 462702355 /nfs/dbraw/zinc/70/23/55/462702355.db2.gz XTAOPORVNSZNMK-UHFFFAOYSA-N 0 0 349.456 2.339 50 30 EEEARN C[C@@H]1Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2NC1=O ZINC000008014377 462763219 /nfs/dbraw/zinc/76/32/19/462763219.db2.gz RVGSPBZZAGZQNC-NSHDSACASA-N 0 0 337.335 2.295 50 30 EEEARN Cc1cn2nc(N3CC[C@@H](CNc4ncccc4C#N)C3)sc2n1 ZINC000065492352 462781291 /nfs/dbraw/zinc/78/12/91/462781291.db2.gz PYFHZGWIMTYRKE-LBPRGKRZSA-N 0 0 339.428 2.304 50 30 EEEARN CCc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1 ZINC000013113980 462884627 /nfs/dbraw/zinc/88/46/27/462884627.db2.gz XEBAWXGFSNHYFQ-UHFFFAOYSA-N 0 0 346.390 2.202 50 30 EEEARN CCOc1ccc(S(=O)(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000017072520 462994582 /nfs/dbraw/zinc/99/45/82/462994582.db2.gz LOITWWOFRDQXMX-WJDWOHSUSA-N 0 0 349.368 2.306 50 30 EEEARN N#Cc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1 ZINC000024470783 463086411 /nfs/dbraw/zinc/08/64/11/463086411.db2.gz FITGEAQJVHCGEP-UHFFFAOYSA-N 0 0 338.436 2.466 50 30 EEEARN C#CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccn(C)n1 ZINC000101337910 463377327 /nfs/dbraw/zinc/37/73/27/463377327.db2.gz KUFKDFVSHAEHCJ-ZCXUNETKSA-N 0 0 340.408 2.209 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000103717386 463406238 /nfs/dbraw/zinc/40/62/38/463406238.db2.gz LHMUNEAAOUIBGO-CQSZACIVSA-N 0 0 349.325 2.368 50 30 EEEARN CCc1nnc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)o1 ZINC000534577689 468264333 /nfs/dbraw/zinc/26/43/33/468264333.db2.gz HDCLYHODZCHARJ-UHFFFAOYSA-N 0 0 325.368 2.455 50 30 EEEARN C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccccc1C ZINC000014093815 518238623 /nfs/dbraw/zinc/23/86/23/518238623.db2.gz OOUWOCMSWPQBBV-UHFFFAOYSA-N 0 0 343.456 2.371 50 30 EEEARN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000000042822 520640545 /nfs/dbraw/zinc/64/05/45/520640545.db2.gz LIJIGSWHAFXMGG-GZTJUZNOSA-N 0 0 334.397 2.412 50 30 EEEARN C=CCn1c(COc2ccccc2F)nnc1SCCC(N)=O ZINC000032750922 527325278 /nfs/dbraw/zinc/32/52/78/527325278.db2.gz BRDWFYHDGGBNSR-UHFFFAOYSA-N 0 0 336.392 2.150 50 30 EEEARN COC(=O)c1ccc(C=NNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000012732731 1205838242 /nfs/dbraw/zinc/83/82/42/1205838242.db2.gz OPIWRPCGUPLKMV-UHFFFAOYSA-N 0 0 346.408 2.402 50 30 EEEARN CCN(CCn1cccn1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC001191166993 1281235297 /nfs/dbraw/zinc/23/52/97/1281235297.db2.gz HGZRLJFWCQGTKG-UHFFFAOYSA-N 0 0 325.412 2.168 50 30 EEEARN CC1=CC(=O)C(=CNc2ccc(Cl)c(Cn3cncn3)c2)C(=O)O1 ZINC001547201044 1124226661 /nfs/dbraw/zinc/22/66/61/1124226661.db2.gz RLVMXZFMVGUFTC-AWNIVKPZSA-N 0 0 344.758 2.305 50 30 EEEARN CCCCCCn1c(N=NC(C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000004728729 210262741 /nfs/dbraw/zinc/26/27/41/210262741.db2.gz JSZSZLVKFFTYNB-YBFXNURJSA-N 0 0 334.424 2.201 50 30 EEEARN C=CCOc1ccc(C(=O)N[C@H]2COC[C@@H]2OCC)cc1OCC ZINC000055036644 214265527 /nfs/dbraw/zinc/26/55/27/214265527.db2.gz HREINCXDCBMEDM-YOEHRIQHSA-N 0 0 335.400 2.184 50 30 EEEARN NC(=CC(=O)Nc1ccc(F)cc1F)NOC(=O)c1cccs1 ZINC000004300243 210164058 /nfs/dbraw/zinc/16/40/58/210164058.db2.gz SMKAVGHSLMSLLD-UHFFFAOYSA-N 0 0 339.323 2.484 50 30 EEEARN C=CCNc1nc(C(=O)OCc2cc(=O)n3ccsc3n2)cs1 ZINC000003567245 210056790 /nfs/dbraw/zinc/05/67/90/210056790.db2.gz QUSVTTPPVAPWJM-UHFFFAOYSA-N 0 0 348.409 2.167 50 30 EEEARN C=CCn1c(SCC(=O)NCC)nc2sc3c(c2c1=O)CCC3 ZINC000003320027 210006061 /nfs/dbraw/zinc/00/60/61/210006061.db2.gz JHFQGQIZSUFGLT-UHFFFAOYSA-N 0 0 349.481 2.361 50 30 EEEARN N#Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 ZINC000005342617 283138679 /nfs/dbraw/zinc/13/86/79/283138679.db2.gz IQEAIFMCRCNMNE-IBGZPJMESA-N 0 0 333.347 2.288 50 30 EEEARN O=C(/C=C\NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F ZINC000105896212 219584700 /nfs/dbraw/zinc/58/47/00/219584700.db2.gz OCBPERLPGGXJSS-GEXIGZQTSA-N 0 0 346.324 2.434 50 30 EEEARN CCn1c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2oc1=O ZINC000036148332 213073158 /nfs/dbraw/zinc/07/31/58/213073158.db2.gz INNRUYVCMFAMHU-UHFFFAOYSA-N 0 0 343.364 2.287 50 30 EEEARN N#Cc1ccc(Nc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 ZINC000022136317 212279234 /nfs/dbraw/zinc/27/92/34/212279234.db2.gz MJNSBZSUQHJSMU-UHFFFAOYSA-N 0 0 325.328 2.442 50 30 EEEARN COC1(CNS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000225721800 242005249 /nfs/dbraw/zinc/00/52/49/242005249.db2.gz CVGVWFLNUCWCBN-UHFFFAOYSA-N 0 0 342.420 2.021 50 30 EEEARN C=CCNC(=O)[C@@H](C)Oc1nn(C)c2ccc(Br)cc12 ZINC000226754818 242115643 /nfs/dbraw/zinc/11/56/43/242115643.db2.gz PQPDCFHRBNLPKG-SECBINFHSA-N 0 0 338.205 2.405 50 30 EEEARN CCN1C[C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O ZINC000091626323 218035369 /nfs/dbraw/zinc/03/53/69/218035369.db2.gz FBZZXJOVWGXISD-KRWDZBQOSA-N 0 0 325.412 2.133 50 30 EEEARN CCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000011396965 211214531 /nfs/dbraw/zinc/21/45/31/211214531.db2.gz QCPGGDWXRMYIEK-UHFFFAOYSA-N 0 0 336.413 2.407 50 30 EEEARN COc1cc(C(=O)OCC(=O)NCCC#N)ccc1OCCC(C)C ZINC000009177963 211049362 /nfs/dbraw/zinc/04/93/62/211049362.db2.gz NFSWSDODNGLDBO-UHFFFAOYSA-N 0 0 348.399 2.307 50 30 EEEARN N#Cc1nncn1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008278049 210925494 /nfs/dbraw/zinc/92/54/94/210925494.db2.gz CSVSZICZUHVKCH-KRWDZBQOSA-N 0 0 331.379 2.250 50 30 EEEARN CCOc1cc(CN=NC(=S)NC)cc(Br)c1O ZINC000006758641 210703971 /nfs/dbraw/zinc/70/39/71/210703971.db2.gz DBSNFLHKNJMGDN-MKMNVTDBSA-N 0 0 332.223 2.393 50 30 EEEARN N#Cc1nccnc1O[C@@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000225798650 257844447 /nfs/dbraw/zinc/84/44/47/257844447.db2.gz LMXFHFWBHIQFDB-AAOUONPWSA-N 0 0 326.381 2.103 50 30 EEEARN COC1(OC)[C@@H](/C=C\c2ccccc2)C(C#N)(C#N)C1(OC)OC ZINC000017241827 292127829 /nfs/dbraw/zinc/12/78/29/292127829.db2.gz NXUPXBDUVJSWJJ-WOLCWHLNSA-N 0 0 328.368 2.341 50 30 EEEARN CCCn1c2c(c(=O)n(C)c1=O)C(=O)C(=Cc1ccc(CC)cc1)N2 ZINC000105627852 276058386 /nfs/dbraw/zinc/05/83/86/276058386.db2.gz XDCLZTMYFBYPEZ-SDNWHVSQSA-N 0 0 339.395 2.169 50 30 EEEARN CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1N1CCOCC1 ZINC000019770521 277327185 /nfs/dbraw/zinc/32/71/85/277327185.db2.gz FQFOANNTVMYKIM-QGZVFWFLSA-N 0 0 332.356 2.254 50 30 EEEARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1cccc(Cl)c1Cl ZINC000334158180 465040728 /nfs/dbraw/zinc/04/07/28/465040728.db2.gz WACGEWALAZOZOJ-APPZFPTMSA-P 0 0 338.261 2.411 50 30 EEEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1O ZINC000044921593 462541495 /nfs/dbraw/zinc/54/14/95/462541495.db2.gz BRMFHTSMZOTDRN-KRWDZBQOSA-N 0 0 336.351 2.491 50 30 EEEARN C=C(C)Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3 ZINC000000102955 462542341 /nfs/dbraw/zinc/54/23/41/462542341.db2.gz SOCBSRYDHPGWKY-UHFFFAOYSA-N 0 0 335.454 2.100 50 30 EEEARN CCOC(=O)c1c(O)coc1Nc1ccc(OC(F)(F)F)cc1 ZINC000000170597 462545895 /nfs/dbraw/zinc/54/58/95/462545895.db2.gz OPNBLMHHTRKOLV-UHFFFAOYSA-N 0 0 331.246 2.371 50 30 EEEARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000001390037 462581394 /nfs/dbraw/zinc/58/13/94/462581394.db2.gz TVOXAGDFOQTNJI-UHFFFAOYSA-N 0 0 341.436 2.378 50 30 EEEARN CSc1nc(N)nc(SCC(=O)Nc2ccccc2)c1C#N ZINC000003169419 462611213 /nfs/dbraw/zinc/61/12/13/462611213.db2.gz RDLRXFCEWKHEDN-UHFFFAOYSA-N 0 0 331.426 2.383 50 30 EEEARN COc1cc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000003474662 462619683 /nfs/dbraw/zinc/61/96/83/462619683.db2.gz YLMQLCYJNQWNHF-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN C=CCn1c(SCC(=O)NC(=O)OCC)nnc1-c1ccccc1 ZINC000003485270 462621101 /nfs/dbraw/zinc/62/11/01/462621101.db2.gz YTFKTVBYUBADHO-UHFFFAOYSA-N 0 0 346.412 2.496 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2C#N)c1 ZINC000003523794 462623179 /nfs/dbraw/zinc/62/31/79/462623179.db2.gz MKAISFLUNHCVPT-UHFFFAOYSA-N 0 0 344.392 2.166 50 30 EEEARN C=CCn1c(=O)c2c(nc3n2c(C)c(C)n3C2CCCC2)n(C)c1=O ZINC000004945211 462640493 /nfs/dbraw/zinc/64/04/93/462640493.db2.gz VABQTYPPAPNDRU-UHFFFAOYSA-N 0 0 341.415 2.067 50 30 EEEARN CCCN1c2ccccc2/C(=N/NS(=O)(=O)c2ccccc2)C1=O ZINC000005430860 462659586 /nfs/dbraw/zinc/65/95/86/462659586.db2.gz OFWILCPNFVTMOQ-VLGSPTGOSA-N 0 0 343.408 2.126 50 30 EEEARN N#Cc1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1 ZINC000012655136 462862392 /nfs/dbraw/zinc/86/23/92/462862392.db2.gz HXGISUWOACBBGU-UHFFFAOYSA-N 0 0 334.335 2.090 50 30 EEEARN N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000012979865 462879107 /nfs/dbraw/zinc/87/91/07/462879107.db2.gz PPFYPCSGQVRECR-UHFFFAOYSA-N 0 0 341.392 2.251 50 30 EEEARN CC1=C/C(=N\OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC1=O ZINC000016213695 462971087 /nfs/dbraw/zinc/97/10/87/462971087.db2.gz WGGMRVUZVQXDDM-FYWRMAATSA-N 0 0 336.325 2.131 50 30 EEEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(OC)nc1 ZINC000016206354 462971293 /nfs/dbraw/zinc/97/12/93/462971293.db2.gz FRGMLENUJCSBLB-UHFFFAOYSA-N 0 0 327.340 2.378 50 30 EEEARN COC(=O)c1cc(C#N)c(N2CCC[C@H](c3cc[nH]n3)C2)nc1C ZINC000067446692 463006430 /nfs/dbraw/zinc/00/64/30/463006430.db2.gz CYDCYJHCTWPFQO-LBPRGKRZSA-N 0 0 325.372 2.155 50 30 EEEARN N#Cc1ccc(OCCN2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000027142182 463183513 /nfs/dbraw/zinc/18/35/13/463183513.db2.gz MKYRDPGBDCWJGM-SFHVURJKSA-N 0 0 339.395 2.311 50 30 EEEARN N#CCCn1ncc2c1ncnc2N1CCO[C@@H](c2ccccc2)C1 ZINC000097199916 463343943 /nfs/dbraw/zinc/34/39/43/463343943.db2.gz CGXKOSYWAFIGIJ-MRXNPFEDSA-N 0 0 334.383 2.318 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1CCO[C@@H](c2nccs2)C1 ZINC000097203722 463348851 /nfs/dbraw/zinc/34/88/51/463348851.db2.gz JAXHCMCRASIZRL-GFCCVEGCSA-N 0 0 348.453 2.478 50 30 EEEARN CN(C(=O)CN1CCO[C@@H](c2nccs2)C1)C1(C#N)CCCCC1 ZINC000097203743 463348894 /nfs/dbraw/zinc/34/88/94/463348894.db2.gz KYBYVZKNTRDWES-CQSZACIVSA-N 0 0 348.472 2.201 50 30 EEEARN N#Cc1cccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000032707217 463389423 /nfs/dbraw/zinc/38/94/23/463389423.db2.gz AKXSYGKEGVAAKR-UHFFFAOYSA-N 0 0 349.390 2.212 50 30 EEEARN CC(C)(C)OC(=O)N[C@H](COS(C)(=O)=O)Cc1ccccc1 ZINC000034171315 463427460 /nfs/dbraw/zinc/42/74/60/463427460.db2.gz CIRITGBVSKUMAF-ZDUSSCGKSA-N 0 0 329.418 2.099 50 30 EEEARN CCOc1cc(C#N)ccc1O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109716232 463646387 /nfs/dbraw/zinc/64/63/87/463646387.db2.gz LDKQTASPVCZIFE-LBPRGKRZSA-N 0 0 328.290 2.499 50 30 EEEARN CCNS(=O)(=O)c1ccc(NC(=S)NCc2ccco2)cc1 ZINC000008683750 520053975 /nfs/dbraw/zinc/05/39/75/520053975.db2.gz OEIRVOVJVCFESB-UHFFFAOYSA-N 0 0 339.442 2.476 50 30 EEEARN CCOC(=O)c1cnc(S[C@H](C#N)Cc2ccccc2)nc1N ZINC000024755386 521573107 /nfs/dbraw/zinc/57/31/07/521573107.db2.gz UNOFWUQSWQLUCY-LBPRGKRZSA-N 0 0 328.397 2.462 50 30 EEEARN COc1ccccc1/C=N/[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000004843826 524327105 /nfs/dbraw/zinc/32/71/05/524327105.db2.gz JRMVBSAREKNUEF-HDTNKEAMSA-N 0 0 330.340 2.117 50 30 EEEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1cccc(F)c1 ZINC000006446279 526267818 /nfs/dbraw/zinc/26/78/18/526267818.db2.gz UINQEVMAAHSJDJ-MRXNPFEDSA-N 0 0 341.338 2.396 50 30 EEEARN O[C@H](/N=C(/c1ccccc1)N1CCOCC1)C(Cl)(Cl)Cl ZINC000107118759 777517163 /nfs/dbraw/zinc/51/71/63/777517163.db2.gz IVTFHECIZMPKIO-UEMWTREESA-N 0 0 337.634 2.454 50 30 EEEARN O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNCCc1c[nH]cn1 ZINC000100432718 219099433 /nfs/dbraw/zinc/09/94/33/219099433.db2.gz BLTGXTUPQNDBHV-UHFFFAOYSA-N 0 0 327.359 2.281 50 30 EEEARN COc1nc2ccn(Cc3cc(C(C)(C)C)n[nH]3)c(=O)c2cc1C#N ZINC000067677035 215183167 /nfs/dbraw/zinc/18/31/67/215183167.db2.gz BAFLEGFKSIEIMU-UHFFFAOYSA-N 0 0 337.383 2.346 50 30 EEEARN Cc1nn(C)cc1-c1c(C#N)c(N)nc2c1CN(Cc1ccco1)CC2 ZINC000072135205 216023827 /nfs/dbraw/zinc/02/38/27/216023827.db2.gz SFRPFJCEQSFDKN-UHFFFAOYSA-N 0 0 348.410 2.396 50 30 EEEARN Cc1nn(CC(=O)N2CCC[C@@H]2c2cccs2)c(=O)c(C#N)c1C ZINC000027944996 212588232 /nfs/dbraw/zinc/58/82/32/212588232.db2.gz UYDJUHLEACWJMC-CQSZACIVSA-N 0 0 342.424 2.157 50 30 EEEARN C#CCNC(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 ZINC000022690911 212317895 /nfs/dbraw/zinc/31/78/95/212317895.db2.gz BXIXIPHUWOSQQK-FUHWJXTLSA-N 0 0 328.412 2.134 50 30 EEEARN Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000215087528 241104840 /nfs/dbraw/zinc/10/48/40/241104840.db2.gz SIKJUYGQDRMTAT-AWEZNQCLSA-N 0 0 348.366 2.319 50 30 EEEARN Cc1cccc(CC(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 ZINC000206601648 241045331 /nfs/dbraw/zinc/04/53/31/241045331.db2.gz YCPQRPDUBLHJCF-UHFFFAOYSA-N 0 0 349.438 2.232 50 30 EEEARN Cc1nc([C@@H](C)NC(=O)N2CCn3nc(C#N)cc3C2)c(C)s1 ZINC000426662425 241323737 /nfs/dbraw/zinc/32/37/37/241323737.db2.gz ZMPLYFXVZSNQKC-SECBINFHSA-N 0 0 330.417 2.115 50 30 EEEARN C#CCOC(=O)Nc1cnc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000020458690 212132897 /nfs/dbraw/zinc/13/28/97/212132897.db2.gz LLIUCUDKNOKOMA-UHFFFAOYSA-N 0 0 329.278 2.119 50 30 EEEARN CC1(C)CCC[C@](C)(C#CCN2CCN(c3ncccn3)CC2)O1 ZINC000012402425 211369691 /nfs/dbraw/zinc/36/96/91/211369691.db2.gz RKPPJZDPWBMYNC-LJQANCHMSA-N 0 0 328.460 2.340 50 30 EEEARN CCCCC(=O)OC1=C(C(C)=O)N(C)S(=O)(=O)c2ccccc21 ZINC000009135133 211044641 /nfs/dbraw/zinc/04/46/41/211044641.db2.gz YSBVHIIXSOWQLM-UHFFFAOYSA-N 0 0 337.397 2.312 50 30 EEEARN N#Cc1cccc(S(=O)(=O)NCCCn2cnc3ccccc32)c1 ZINC000007286637 210779254 /nfs/dbraw/zinc/77/92/54/210779254.db2.gz LVMUBBQFECVDDZ-UHFFFAOYSA-N 0 0 340.408 2.277 50 30 EEEARN C#CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000004819682 210286216 /nfs/dbraw/zinc/28/62/16/210286216.db2.gz QYPZFDFEUWQBDN-LFIBNONCSA-N 0 0 349.342 2.363 50 30 EEEARN N#Cc1cnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc1N ZINC000004935429 258051429 /nfs/dbraw/zinc/05/14/29/258051429.db2.gz JTZLPARKKJSFET-UHFFFAOYSA-N 0 0 343.456 2.108 50 30 EEEARN COC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(O)cc1 ZINC000044890058 292031769 /nfs/dbraw/zinc/03/17/69/292031769.db2.gz SVWNVDCHKYYAJL-MRXNPFEDSA-N 0 0 339.351 2.397 50 30 EEEARN COc1ncc(-c2c3c(nc(N)c2C#N)-c2cc(O)ccc2C3)cn1 ZINC000071754571 278087141 /nfs/dbraw/zinc/08/71/41/278087141.db2.gz ZQOFQPOFTUYDQP-UHFFFAOYSA-N 0 0 331.335 2.278 50 30 EEEARN C[C@](O)(CNc1cc(C#N)ccc1C(F)(F)F)CN1CCOCC1 ZINC000125525077 323325906 /nfs/dbraw/zinc/32/59/06/323325906.db2.gz NIHUWXICTUBCAO-HNNXBMFYSA-N 0 0 343.349 2.072 50 30 EEEARN COc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c(OC)c1 ZINC000000086486 462541974 /nfs/dbraw/zinc/54/19/74/462541974.db2.gz YEQKASPQMQZNFI-VCHYOVAHSA-N 0 0 340.387 2.288 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000283324 462552002 /nfs/dbraw/zinc/55/20/02/462552002.db2.gz DYSKBOCYGXONHA-OAHLLOKOSA-N 0 0 339.307 2.479 50 30 EEEARN CN(c1ccccc1C(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O ZINC000000566984 462571258 /nfs/dbraw/zinc/57/12/58/462571258.db2.gz QUHOSCFMRIUZEN-UHFFFAOYSA-N 0 0 343.408 2.401 50 30 EEEARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000005450115 462659330 /nfs/dbraw/zinc/65/93/30/462659330.db2.gz BKUVSYMNSILIGS-LJQANCHMSA-N 0 0 349.346 2.254 50 30 EEEARN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000014197460 462918460 /nfs/dbraw/zinc/91/84/60/462918460.db2.gz PPHXJZJHWDUZQR-UHFFFAOYSA-N 0 0 328.393 2.159 50 30 EEEARN CC/N=C1\S[C@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC ZINC000018067089 463005951 /nfs/dbraw/zinc/00/59/51/463005951.db2.gz DNVGZJFGVOJQAF-WPCFGXOUSA-N 0 0 335.429 2.364 50 30 EEEARN N#Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000024832778 463100428 /nfs/dbraw/zinc/10/04/28/463100428.db2.gz DEWQULCVRXDLPU-UHFFFAOYSA-N 0 0 333.347 2.460 50 30 EEEARN COCCc1noc([C@@H](C)NC(=O)Nc2ccc(OC)c(C#N)c2)n1 ZINC000096130393 463183946 /nfs/dbraw/zinc/18/39/46/463183946.db2.gz PNLLRTHUECZKLQ-SNVBAGLBSA-N 0 0 345.359 2.021 50 30 EEEARN CC(C)CN1CCN(C(=O)Nc2ccc(C#N)cc2F)[C@H](C)C1=O ZINC000096166760 463193624 /nfs/dbraw/zinc/19/36/24/463193624.db2.gz DYQULCNHGUDMQR-GFCCVEGCSA-N 0 0 332.379 2.418 50 30 EEEARN O=C(Nc1nncs1)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000027757798 463203956 /nfs/dbraw/zinc/20/39/56/463203956.db2.gz QNSXVEMPHRJNBL-UHFFFAOYSA-N 0 0 332.263 2.361 50 30 EEEARN CCCCCCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000029747265 463271330 /nfs/dbraw/zinc/27/13/30/463271330.db2.gz LLVISTSJRDWXPS-UHFFFAOYSA-N 0 0 326.828 2.448 50 30 biogenic EEEARN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000031399894 463338920 /nfs/dbraw/zinc/33/89/20/463338920.db2.gz IHFGZJOJXAVRES-UHFFFAOYSA-N 0 0 339.374 2.260 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cnc([N+](=O)[O-])c3)sc2C1 ZINC000031804501 463355584 /nfs/dbraw/zinc/35/55/84/463355584.db2.gz HPCQHBVMEJDJCD-SECBINFHSA-N 0 0 345.384 2.488 50 30 EEEARN CC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000082097700 463514071 /nfs/dbraw/zinc/51/40/71/463514071.db2.gz JHXYWCUAQIODCL-SFHVURJKSA-N 0 0 333.391 2.365 50 30 EEEARN COc1nccc(N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C#N ZINC000230505379 464204754 /nfs/dbraw/zinc/20/47/54/464204754.db2.gz XLGFGXWVUGDXAM-QGZVFWFLSA-N 0 0 339.399 2.012 50 30 EEEARN C#CCSc1nncn1C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000004888753 518339525 /nfs/dbraw/zinc/33/95/25/518339525.db2.gz IIWDRAPIQCUMMQ-SOFGYWHQSA-N 0 0 329.381 2.374 50 30 EEEARN C=C(C)CN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C ZINC000011840558 518593040 /nfs/dbraw/zinc/59/30/40/518593040.db2.gz KKESQVXNRUBKOK-GOSISDBHSA-N 0 0 343.471 2.110 50 30 EEEARN C=CCN1C(=O)c2ccc(C(=O)OCc3cc(C)no3)cc2C1=O ZINC000024416428 518850248 /nfs/dbraw/zinc/85/02/48/518850248.db2.gz VXWWWYFPQQJDBB-UHFFFAOYSA-N 0 0 326.308 2.122 50 30 EEEARN C=CCNC(=O)CSc1nnnn1-c1ccc2ccccc2c1 ZINC000005016346 518899907 /nfs/dbraw/zinc/89/99/07/518899907.db2.gz OXHIBVYJFQWAJX-UHFFFAOYSA-N 0 0 325.397 2.210 50 30 EEEARN C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC1CCCC1 ZINC000005813055 525894801 /nfs/dbraw/zinc/89/48/01/525894801.db2.gz NUCUGNBYEADWMA-GFCCVEGCSA-N 0 0 343.383 2.143 50 30 EEEARN N#CCC(=O)Nc1ccc(C(=O)OCc2nnsc2Cl)cc1 ZINC000021664591 526443224 /nfs/dbraw/zinc/44/32/24/526443224.db2.gz MFCLPIFQNKTURS-UHFFFAOYSA-N 0 0 336.760 2.401 50 30 EEEARN O=C(CC1S/C(=N/C2CCCC2)NC1=O)NCc1ccccc1 ZINC000021132129 527142256 /nfs/dbraw/zinc/14/22/56/527142256.db2.gz AZEFCELEDFNNSX-AWEZNQCLSA-N 0 0 331.441 2.223 50 30 EEEARN C=CCN1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014537977 1225734178 /nfs/dbraw/zinc/73/41/78/1225734178.db2.gz IRHPFYNVBDCLSK-UHFFFAOYSA-N 0 0 336.439 2.163 50 30 EEEARN CC(C)(O)C#Cc1cccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)c1 ZINC001506398965 1114596136 /nfs/dbraw/zinc/59/61/36/1114596136.db2.gz IVVLTUHDOCANQC-IBGZPJMESA-N 0 0 335.403 2.498 50 30 EEEARN CN(C)c1cc(NN=Cc2cc(Cl)ccc2O)nc(N(C)C)n1 ZINC000004671846 210243508 /nfs/dbraw/zinc/24/35/08/210243508.db2.gz BZCDOXBJOBXBDX-RQZCQDPDSA-N 0 0 334.811 2.414 50 30 EEEARN C/C(=N/NC(N)=S)c1ccc2c(Br)cc(=O)oc2c1 ZINC000004600613 210230552 /nfs/dbraw/zinc/23/05/52/210230552.db2.gz GFYGKHDYQJOICX-UUASQNMZSA-N 0 0 340.202 2.113 50 30 EEEARN Cc1nc(COc2ccc(C(=N)NOC(=O)N(C)C)cc2)cs1 ZINC000004344490 210176093 /nfs/dbraw/zinc/17/60/93/210176093.db2.gz RECQXCOLULOJBG-UHFFFAOYSA-N 0 0 334.401 2.349 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000004017133 210099646 /nfs/dbraw/zinc/09/96/46/210099646.db2.gz JEQRRKBRAOJAEK-HNNXBMFYSA-N 0 0 332.356 2.061 50 30 EEEARN CCc1c(C)sc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)c1C#N ZINC000003896294 210085905 /nfs/dbraw/zinc/08/59/05/210085905.db2.gz ICMLETJLIZXPHO-UHFFFAOYSA-N 0 0 348.388 2.409 50 30 EEEARN Cc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000002840971 209925451 /nfs/dbraw/zinc/92/54/51/209925451.db2.gz CFYUCVMWWSCWHI-UHFFFAOYSA-N 0 0 331.349 2.220 50 30 aggregator EEEARN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270609 216093792 /nfs/dbraw/zinc/09/37/92/216093792.db2.gz DNUBYVQBTSGRIX-CABCVRRESA-N 0 0 329.448 2.320 50 30 EEEARN COCCN(CCOC)C(=O)c1cccc(-c2cccc(C#N)n2)c1 ZINC000426621728 241318438 /nfs/dbraw/zinc/31/84/38/241318438.db2.gz NFOWRNFHVBGPGX-UHFFFAOYSA-N 0 0 339.395 2.355 50 30 EEEARN C=CCN[C@@](NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000020533526 212144535 /nfs/dbraw/zinc/14/45/35/212144535.db2.gz VCAYZSRXODIMPV-CQSZACIVSA-N 0 0 330.306 2.014 50 30 EEEARN N#Cc1cn(CC(=O)N2CCOCC2)c2ccc(Br)cc12 ZINC000018190713 211987399 /nfs/dbraw/zinc/98/73/99/211987399.db2.gz NJNMUUJAOAYSBE-UHFFFAOYSA-N 0 0 348.200 2.134 50 30 EEEARN N#CC1(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCCCC1 ZINC000014111090 211684785 /nfs/dbraw/zinc/68/47/85/211684785.db2.gz WOAWHXZROSCNAY-UHFFFAOYSA-N 0 0 344.806 2.336 50 30 EEEARN CCOC(=O)[C@@H]1CCCN(/C=C2\Oc3c(ccc(O)c3C)C2=O)C1 ZINC000012442415 211383358 /nfs/dbraw/zinc/38/33/58/211383358.db2.gz HDSIJDLILVYHGI-DYTQJMLRSA-N 0 0 331.368 2.392 50 30 EEEARN Cc1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C#N)c1C ZINC000005144842 210399643 /nfs/dbraw/zinc/39/96/43/210399643.db2.gz WNLQLFANUXQPND-UHFFFAOYSA-N 0 0 339.376 2.471 50 30 EEEARN N#Cc1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O ZINC000007046651 208574992 /nfs/dbraw/zinc/57/49/92/208574992.db2.gz YKSOLQXUNYDXSY-UHFFFAOYSA-N 0 0 325.368 2.206 50 30 EEEARN CCc1nnc2n1N(C(C)=O)C(c1ccccc1)=C(C(C)=O)S2 ZINC000004518253 276703347 /nfs/dbraw/zinc/70/33/47/276703347.db2.gz CFPRGAAKBZNNPA-UHFFFAOYSA-N 0 0 328.397 2.389 50 30 EEEARN C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000005687058 290082737 /nfs/dbraw/zinc/08/27/37/290082737.db2.gz YXZVRWVQISMPBS-BLLLJJGKSA-N 0 0 338.363 2.041 50 30 EEEARN C[C@H]1CN(C)c2ccccc2N(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000107053879 300230484 /nfs/dbraw/zinc/23/04/84/300230484.db2.gz ZHOJBQIPBBEDAW-IFXJQAMLSA-N 0 0 326.444 2.387 50 30 EEEARN COc1ccc(C=NC(=S)Nc2nc(C)cc(=O)[nH]2)cc1OC ZINC000006382150 440988847 /nfs/dbraw/zinc/98/88/47/440988847.db2.gz BHILRPRUNFZQKX-LZYBPNLTSA-N 0 0 332.385 2.324 50 30 EEEARN COCc1cc(C)nc(SCC(=O)NCc2ccco2)c1C#N ZINC000000033665 462540077 /nfs/dbraw/zinc/54/00/77/462540077.db2.gz LYXGBRVZFSSYKY-UHFFFAOYSA-N 0 0 331.397 2.410 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000289871 462552250 /nfs/dbraw/zinc/55/22/50/462552250.db2.gz BZGJRLPALQTYDX-ZDUSSCGKSA-N 0 0 344.323 2.059 50 30 EEEARN COc1cccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)c1O ZINC000000500287 462567537 /nfs/dbraw/zinc/56/75/37/462567537.db2.gz VBHGAYYCTPILRJ-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000002626057 462596488 /nfs/dbraw/zinc/59/64/88/462596488.db2.gz PEIZBGBCMPMWMG-UHFFFAOYSA-N 0 0 341.392 2.225 50 30 EEEARN Cc1nc(N2CCOCC2)nc(Oc2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000004837350 462638774 /nfs/dbraw/zinc/63/87/74/462638774.db2.gz MVYOQWYBIMNQLV-UHFFFAOYSA-N 0 0 341.327 2.194 50 30 EEEARN C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000006370852 462684639 /nfs/dbraw/zinc/68/46/39/462684639.db2.gz JSFVVHGNCXMDJH-LBPRGKRZSA-N 0 0 340.383 2.451 50 30 EEEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000007612600 462742582 /nfs/dbraw/zinc/74/25/82/462742582.db2.gz UJMPNRJUDSDLRK-UHFFFAOYSA-N 0 0 341.392 2.486 50 30 EEEARN CC(C)(O)C#Cc1ccc([C@H]2CC(=O)NCc3nc(N)sc32)s1 ZINC000065435237 462771620 /nfs/dbraw/zinc/77/16/20/462771620.db2.gz OKCSCWVGDRHMLF-SNVBAGLBSA-N 0 0 347.465 2.061 50 30 EEEARN Cc1cccn2c(CNC(=O)c3ccc(C#CC(C)(C)O)o3)cnc12 ZINC000065461677 462774713 /nfs/dbraw/zinc/77/47/13/462774713.db2.gz OJTKSXBMVMBUPO-UHFFFAOYSA-N 0 0 337.379 2.288 50 30 EEEARN C=CCN1C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C ZINC000012974314 462878276 /nfs/dbraw/zinc/87/82/76/462878276.db2.gz MZNMTAKMAZFUAD-OAHLLOKOSA-N 0 0 344.367 2.173 50 30 EEEARN C#CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000013005562 462881955 /nfs/dbraw/zinc/88/19/55/462881955.db2.gz UKVFPUJNASTRHW-UHFFFAOYSA-N 0 0 346.383 2.298 50 30 EEEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197245 462944074 /nfs/dbraw/zinc/94/40/74/462944074.db2.gz OYUXZHYXCFLNIY-LBPRGKRZSA-N 0 0 328.393 2.453 50 30 EEEARN CCn1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)n1 ZINC000017067787 462993925 /nfs/dbraw/zinc/99/39/25/462993925.db2.gz CPRUBQSSMIBZLM-ZDUSSCGKSA-N 0 0 330.417 2.238 50 30 EEEARN CSc1nc2n(n1)[C@H](c1ccnn1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000017071887 462994884 /nfs/dbraw/zinc/99/48/84/462994884.db2.gz HTJYUJPMKLFTPQ-CYBMUJFWSA-N 0 0 344.444 2.392 50 30 EEEARN CSc1nc2n(n1)[C@H](c1cc(C)nn1C)C1C(=O)CCCC1=N2 ZINC000020606600 463029191 /nfs/dbraw/zinc/02/91/91/463029191.db2.gz FLOXICAQMFPMFF-CYBMUJFWSA-N 0 0 330.417 2.064 50 30 EEEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000024021165 463076297 /nfs/dbraw/zinc/07/62/97/463076297.db2.gz QYBPUIRZGRVHTO-LLVKDONJSA-N 0 0 349.346 2.190 50 30 EEEARN CC(=O)C1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000136618399 463249222 /nfs/dbraw/zinc/24/92/22/463249222.db2.gz OACSUKAIVHQATB-ULQDDVLXSA-N 0 0 333.340 2.439 50 30 EEEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000029756504 463272887 /nfs/dbraw/zinc/27/28/87/463272887.db2.gz GXJLFCANDWFEKA-NSHDSACASA-N 0 0 342.424 2.409 50 30 EEEARN N#Cc1cc([N+](=O)[O-])cn(Cc2nc3ccccc3n2C(F)F)c1=O ZINC000031757928 463352259 /nfs/dbraw/zinc/35/22/59/463352259.db2.gz JOWALMMOTWUJKR-UHFFFAOYSA-N 0 0 345.265 2.421 50 30 EEEARN COC(=O)c1ccc(C=CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000102771144 463391103 /nfs/dbraw/zinc/39/11/03/463391103.db2.gz KHKUZNBXTPZGTO-VSGCLNPGSA-N 0 0 349.346 2.229 50 30 EEEARN CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3F)[C@@]21C#N ZINC000103010372 463393499 /nfs/dbraw/zinc/39/34/99/463393499.db2.gz JLVQOIUVWRBVHK-KBMXLJTQSA-N 0 0 328.347 2.040 50 30 EEEARN C#CC[C@@H]([NH3+])[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071613498 463417910 /nfs/dbraw/zinc/41/79/10/463417910.db2.gz NGHDGHPWUHCBEJ-MOPGFXCFSA-N 0 0 349.386 2.394 50 30 EEEARN N#CCCN(C(=O)CNc1ccc(C(N)=O)c(F)c1)c1ccccc1 ZINC000126037391 463599595 /nfs/dbraw/zinc/59/95/95/463599595.db2.gz DOGBMCVOZRHZCV-UHFFFAOYSA-N 0 0 340.358 2.283 50 30 EEEARN CC(N)=NC(=O)c1cn2c(n1)-c1ccc(Br)cc1OCC2 ZINC000225787325 464181980 /nfs/dbraw/zinc/18/19/80/464181980.db2.gz QQBPRBQFQKYQST-UHFFFAOYSA-N 0 0 349.188 2.222 50 30 EEEARN CCN1C(=O)/C(=C\c2ccc(Cl)nc2)SC1=Nn1cnnc1 ZINC000252428359 464955120 /nfs/dbraw/zinc/95/51/20/464955120.db2.gz ZQXUZSJKVIQLMP-BOEBPHRNSA-N 0 0 334.792 2.082 50 30 EEEARN CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=Nn1cnnc1 ZINC000252428155 464955215 /nfs/dbraw/zinc/95/52/15/464955215.db2.gz RHWZNMHOADTXOR-TUWMJTPHSA-N 0 0 329.385 2.042 50 30 EEEARN C=CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000604418798 469477664 /nfs/dbraw/zinc/47/76/64/469477664.db2.gz GZRORUPSUHQUER-GOSISDBHSA-N 0 0 347.374 2.104 50 30 EEEARN C=CCN1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000020160902 518861844 /nfs/dbraw/zinc/86/18/44/518861844.db2.gz WAPVNQJDXMIBHH-UHFFFAOYSA-N 0 0 339.233 2.158 50 30 EEEARN C=CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012587041 518910917 /nfs/dbraw/zinc/91/09/17/518910917.db2.gz MWODUXXJGXXIOB-GFCCVEGCSA-N 0 0 341.333 2.292 50 30 EEEARN C=CCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012747758 518913674 /nfs/dbraw/zinc/91/36/74/518913674.db2.gz QAGCGXNTHXWISQ-CYBMUJFWSA-N 0 0 339.395 2.209 50 30 EEEARN C=CCc1c(C)nc(SCc2nc3ccccc3c(=O)[nH]2)[nH]c1=O ZINC000008667248 519120647 /nfs/dbraw/zinc/12/06/47/519120647.db2.gz YBAOBIASXRKCPH-UHFFFAOYSA-N 0 0 340.408 2.336 50 30 EEEARN COc1cccc(CN=Nc2nncn2N)c1OCc1ccccc1 ZINC000015081728 525772545 /nfs/dbraw/zinc/77/25/45/525772545.db2.gz WLSJRCMCPQVDTG-VXLYETTFSA-N 0 0 338.371 2.026 50 30 EEEARN N=C(CN1CCCC1=O)NOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004171170 526813302 /nfs/dbraw/zinc/81/33/02/526813302.db2.gz YDXNYZQMOMQANF-UHFFFAOYSA-N 0 0 330.171 2.045 50 30 EEEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000004889260 536590422 /nfs/dbraw/zinc/59/04/22/536590422.db2.gz NMKYUBDIARGHNB-RWMBFGLXSA-N 0 0 340.383 2.024 50 30 EEEARN Cc1nc(C)c(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3oc2=O)o1 ZINC000100730802 219105336 /nfs/dbraw/zinc/10/53/36/219105336.db2.gz YNCVETOBWBGNTP-IZZDOVSWSA-N 0 0 329.268 2.297 50 30 EEEARN CC(=O)NCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000100828018 219107937 /nfs/dbraw/zinc/10/79/37/219107937.db2.gz ITLZYNNJLDVWCV-SNVBAGLBSA-N 0 0 342.182 2.167 50 30 EEEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N/N1CCN(C)CC1 ZINC000101123533 219116738 /nfs/dbraw/zinc/11/67/38/219116738.db2.gz GPDYCZPGOGMDED-VHEBQXMUSA-N 0 0 344.484 2.474 50 30 EEEARN C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004005946 210099124 /nfs/dbraw/zinc/09/91/24/210099124.db2.gz SJTKZGOTDFJUKA-GJZGRUSLSA-N 0 0 329.356 2.418 50 30 EEEARN C=C(C)Cn1c(SCCCCC)nc2c1c(=O)n(C)c(=O)n2C ZINC000002388451 209846396 /nfs/dbraw/zinc/84/63/96/209846396.db2.gz SXCLGRQFRJUHMI-UHFFFAOYSA-N 0 0 336.461 2.292 50 30 EEEARN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1O ZINC000108169684 219834287 /nfs/dbraw/zinc/83/42/87/219834287.db2.gz FWCAQZUABPVUJS-UKRRQHHQSA-N 0 0 340.420 2.115 50 30 EEEARN Cn1cc(C#N)cc1C(=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000222236374 241501372 /nfs/dbraw/zinc/50/13/72/241501372.db2.gz ZGESZNXAGRGVFU-NBMJBFSESA-N 0 0 335.407 2.273 50 30 EEEARN COCCNC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000085474105 217673752 /nfs/dbraw/zinc/67/37/52/217673752.db2.gz WWPZOIXYZKRIMJ-UHFFFAOYSA-N 0 0 330.306 2.033 50 30 EEEARN C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 ZINC000012525328 211398498 /nfs/dbraw/zinc/39/84/98/211398498.db2.gz OPFYWJKUFAIKQQ-CYBMUJFWSA-N 0 0 349.394 2.339 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000012343813 211353275 /nfs/dbraw/zinc/35/32/75/211353275.db2.gz FKYHKZYDQJRUJN-UHFFFAOYSA-N 0 0 342.420 2.354 50 30 EEEARN Cc1oc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C#N)c1C ZINC000010767743 211188542 /nfs/dbraw/zinc/18/85/42/211188542.db2.gz IJXRGSQCBQZOJM-UHFFFAOYSA-N 0 0 344.323 2.134 50 30 EEEARN COc1ccc([C@@H]2CN(c3ncccc3C#N)C[C@H]2NC(C)=O)cc1 ZINC000095498597 218414577 /nfs/dbraw/zinc/41/45/77/218414577.db2.gz SJABVDIPKZLYTH-ZWKOTPCHSA-N 0 0 336.395 2.070 50 30 EEEARN C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(-n2cncn2)cc1 ZINC000006541006 210649793 /nfs/dbraw/zinc/64/97/93/210649793.db2.gz HGWYSLWTFKTBLU-CQSZACIVSA-N 0 0 347.378 2.395 50 30 EEEARN C=CCSc1nnc(NC(=O)CCNC(=O)c2ccco2)s1 ZINC000006602719 258044969 /nfs/dbraw/zinc/04/49/69/258044969.db2.gz QDBHDNFVQLKDMA-UHFFFAOYSA-N 0 0 338.414 2.168 50 30 EEEARN Cc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(O)c1)C(=O)N2 ZINC000017121722 281050136 /nfs/dbraw/zinc/05/01/36/281050136.db2.gz CYASQAHIWVEYTA-UHFFFAOYSA-N 0 0 326.381 2.343 50 30 EEEARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(CCC#N)CC1 ZINC000020717643 300892958 /nfs/dbraw/zinc/89/29/58/300892958.db2.gz DLYDKAGWWRWNGF-KRWDZBQOSA-N 0 0 326.400 2.133 50 30 EEEARN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cnc(C#N)c1C#N ZINC000126275913 323326266 /nfs/dbraw/zinc/32/62/66/323326266.db2.gz GSMDRMOQGGXHJW-CYBMUJFWSA-N 0 0 325.397 2.224 50 30 EEEARN N#Cc1ccc(OCC(=O)NC(=O)NCc2cccs2)c(F)c1 ZINC000127532761 462560842 /nfs/dbraw/zinc/56/08/42/462560842.db2.gz BCKQIUOUNXMRRX-UHFFFAOYSA-N 0 0 333.344 2.164 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1C#N ZINC000000810866 462573701 /nfs/dbraw/zinc/57/37/01/462573701.db2.gz FFBQFVYSORFUEI-UHFFFAOYSA-N 0 0 345.786 2.467 50 30 EEEARN Cc1cc(C)n(C2N=NC(=S)N2N=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000001439718 462582944 /nfs/dbraw/zinc/58/29/44/462582944.db2.gz ZNHKQKGTDGIAHI-OVCLIPMQSA-N 0 0 343.372 2.160 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000002639496 462598206 /nfs/dbraw/zinc/59/82/06/462598206.db2.gz UGEOTNNFKVXSEV-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN C=CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000002949077 462607900 /nfs/dbraw/zinc/60/79/00/462607900.db2.gz FANKQBPBFJCBLJ-LCYFTJDESA-N 0 0 340.335 2.081 50 30 EEEARN CN(C)/C=N/c1nc2ncc(-c3ccsc3)c(/N=C/N(C)C)n2n1 ZINC000004041443 462626935 /nfs/dbraw/zinc/62/69/35/462626935.db2.gz SYXREVUGBRFIFN-BEQMOXJMSA-N 0 0 342.432 2.296 50 30 EEEARN C=CCNC(=O)CN1CCO[C@@H](c2nc(-c3ccccc3)cs2)C1 ZINC000065466249 462775941 /nfs/dbraw/zinc/77/59/41/462775941.db2.gz XJWLNRIUKJJYBX-MRXNPFEDSA-N 0 0 343.452 2.486 50 30 EEEARN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000119749714 462924902 /nfs/dbraw/zinc/92/49/02/462924902.db2.gz NFVBCTJVTLKXLI-ZDUSSCGKSA-N 0 0 347.419 2.382 50 30 EEEARN C=CCS(=O)(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1C ZINC000014978212 462937052 /nfs/dbraw/zinc/93/70/52/462937052.db2.gz OXTYODUTUWXLMO-GFCCVEGCSA-N 0 0 335.429 2.356 50 30 EEEARN COc1cc2c(cc1OC)[C@]13C=C(OC)C(=O)C=C1[C@H](C2)N(C)CC3 ZINC000015216563 462944168 /nfs/dbraw/zinc/94/41/68/462944168.db2.gz DBPGJIUVRZHFCM-YWZLYKJASA-N 0 0 341.407 2.241 50 30 biogenic,in-vitro EEEARN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000025120384 463110390 /nfs/dbraw/zinc/11/03/90/463110390.db2.gz OSRKTCPECLRBQK-MRXNPFEDSA-N 0 0 337.379 2.158 50 30 EEEARN N#CCCn1ncc2c1ncnc2N1CCO[C@H](c2ccccc2)C1 ZINC000097199915 463344350 /nfs/dbraw/zinc/34/43/50/463344350.db2.gz CGXKOSYWAFIGIJ-INIZCTEOSA-N 0 0 334.383 2.318 50 30 EEEARN CCOC(=O)N1CCN(c2nc(N3CCCC3)cc(C)c2C#N)CC1 ZINC000071279599 463412989 /nfs/dbraw/zinc/41/29/89/463412989.db2.gz DOTOWFNVAYYLPA-UHFFFAOYSA-N 0 0 343.431 2.140 50 30 EEEARN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[C@H](C(=O)N(C)C[C@H](C)C#N)C1 ZINC000106516189 463518720 /nfs/dbraw/zinc/51/87/20/463518720.db2.gz BIJYPQSNWDQUBN-FPCVCCKLSA-N 0 0 332.448 2.029 50 30 EEEARN COc1cccc(N2CCN(C(=O)c3ccccc3C#N)CC2=O)c1 ZINC000082155805 463520345 /nfs/dbraw/zinc/52/03/45/463520345.db2.gz UXOCMJQJZKSAEB-UHFFFAOYSA-N 0 0 335.363 2.056 50 30 EEEARN CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000222401935 464130592 /nfs/dbraw/zinc/13/05/92/464130592.db2.gz BPKFKQIPXBSSTK-UHFFFAOYSA-N 0 0 344.850 2.225 50 30 EEEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cn1N ZINC000004251830 519807696 /nfs/dbraw/zinc/80/76/96/519807696.db2.gz QRPBZHBMUFBXKC-QGZVFWFLSA-N 0 0 343.456 2.410 50 30 EEEARN CCOc1cc(C(=O)OCC#N)ccc1OCC(=O)N1CCCCC1 ZINC000010524999 520671109 /nfs/dbraw/zinc/67/11/09/520671109.db2.gz FFSMTVUNLZSDOM-UHFFFAOYSA-N 0 0 346.383 2.157 50 30 EEEARN CN(C(=O)CN1CCO[C@H](c2nccs2)C1)C1(C#N)CCCCC1 ZINC000097203741 523823664 /nfs/dbraw/zinc/82/36/64/523823664.db2.gz KYBYVZKNTRDWES-AWEZNQCLSA-N 0 0 348.472 2.201 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C\c1ccco1 ZINC000033777617 770007807 /nfs/dbraw/zinc/00/78/07/770007807.db2.gz VHKNYYRFMIZIII-XQRVVYSFSA-N 0 0 341.279 2.255 50 30 EEEARN Cc1cccnc1C(=O)NC[C@@H]1CCCN(c2cccc(C#N)n2)C1 ZINC001506398448 1114595421 /nfs/dbraw/zinc/59/54/21/1114595421.db2.gz DADJAQJQONMWEB-HNNXBMFYSA-N 0 0 335.411 2.303 50 30 EEEARN COc1ccc(OCCCN2CCCn3nc(C#N)cc3C2)cc1 ZINC001506406989 1114598090 /nfs/dbraw/zinc/59/80/90/1114598090.db2.gz SVVIOOFBXDXMNN-UHFFFAOYSA-N 0 0 326.400 2.438 50 30 EEEARN C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000051498751 214094679 /nfs/dbraw/zinc/09/46/79/214094679.db2.gz AJZAVSUFZJOMDY-LBPRGKRZSA-N 0 0 343.408 2.238 50 30 EEEARN CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2cnnc2S1 ZINC000004518278 210212531 /nfs/dbraw/zinc/21/25/31/210212531.db2.gz RSANQJKRGPWTFR-UHFFFAOYSA-N 0 0 334.788 2.480 50 30 EEEARN CCC1([C@@](O)(C#CCN(CCO)CCO)c2ccccc2)CCCC1 ZINC000002287068 282529301 /nfs/dbraw/zinc/52/93/01/282529301.db2.gz RCRWYFXYCCMUGE-OAQYLSRUSA-N 0 0 345.483 2.135 50 30 EEEARN Cn1nccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 ZINC000000369367 282857283 /nfs/dbraw/zinc/85/72/83/282857283.db2.gz KOEXSUYCCDGHOQ-UHFFFAOYSA-N 0 0 345.453 2.359 50 30 EEEARN Cc1cccc(OCc2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)c1 ZINC000000553156 209661535 /nfs/dbraw/zinc/66/15/35/209661535.db2.gz UXENMEDRZYIPQL-UHFFFAOYSA-N 0 0 340.383 2.135 50 30 EEEARN N#C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000104394476 237086218 /nfs/dbraw/zinc/08/62/18/237086218.db2.gz XWDJWHWVFZBUOW-WMZOPIPTSA-N 0 0 349.390 2.083 50 30 EEEARN CC(=O)N[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000022476612 212300828 /nfs/dbraw/zinc/30/08/28/212300828.db2.gz XQYKZGXSAFDQQG-HNNXBMFYSA-N 0 0 340.345 2.334 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1CCN(c2nccs2)CC1 ZINC000021335213 212220533 /nfs/dbraw/zinc/22/05/33/212220533.db2.gz YSZBPKQDTYZEOG-UHFFFAOYSA-N 0 0 347.469 2.227 50 30 EEEARN C=C(C)C[NH+]1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000020718331 212163046 /nfs/dbraw/zinc/16/30/46/212163046.db2.gz DXFWEXAITRLTLI-GOSISDBHSA-N 0 0 343.427 2.496 50 30 EEEARN C=CCN(CC(=O)NCC(C)C)S(=O)(=O)c1cccc(Cl)c1 ZINC000014254999 211724589 /nfs/dbraw/zinc/72/45/89/211724589.db2.gz HKNHKMJBQPUPCE-UHFFFAOYSA-N 0 0 344.864 2.289 50 30 EEEARN Cc1ccc(C(=O)NCCNC(=O)c2cccc(C#N)c2)cc1F ZINC000013014619 211512369 /nfs/dbraw/zinc/51/23/69/211512369.db2.gz DZRGVTTWOCIWCY-UHFFFAOYSA-N 0 0 325.343 2.166 50 30 EEEARN COC(=O)c1cc(-c2cn(C)nc2C)nc2c1c(C)nn2CCC#N ZINC000012396329 211367602 /nfs/dbraw/zinc/36/76/02/211367602.db2.gz BHJMAADWUQMGJJ-UHFFFAOYSA-N 0 0 338.371 2.149 50 30 EEEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC(=O)OC(C)C ZINC000010669479 211185832 /nfs/dbraw/zinc/18/58/32/211185832.db2.gz CUNLKYWUTLESIZ-UHFFFAOYSA-N 0 0 329.356 2.322 50 30 EEEARN C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)cc1 ZINC000009496187 211092134 /nfs/dbraw/zinc/09/21/34/211092134.db2.gz CYDPRSZJAYAFRJ-SNVBAGLBSA-N 0 0 341.758 2.412 50 30 EEEARN COc1cccc(/C=N\NS(=O)(=O)c2ccc(C)c(C)c2)c1O ZINC000032575662 533389627 /nfs/dbraw/zinc/38/96/27/533389627.db2.gz AUMDRQRUDSUJMB-YVLHZVERSA-N 0 0 334.397 2.330 50 30 EEEARN C=C1C(=NS(=O)(=O)c2ccc(C)cc2)C=C(N(C)C)C(=O)C1C ZINC000100824743 292170071 /nfs/dbraw/zinc/17/00/71/292170071.db2.gz FIPIKPGRDSRLTH-SDXDJHTJSA-N 0 0 332.425 2.489 50 30 EEEARN COc1ccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)cc1 ZINC000019933103 286263159 /nfs/dbraw/zinc/26/31/59/286263159.db2.gz WHCXGTKSOFNXMI-UHFFFAOYSA-N 0 0 349.375 2.434 50 30 EEEARN Cc1ccccc1-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O ZINC000005152757 292624942 /nfs/dbraw/zinc/62/49/42/292624942.db2.gz SCYIDUQOZZGSIB-UHFFFAOYSA-N 0 0 328.331 2.179 50 30 EEEARN CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)NCc3nc(N)sc32)s1 ZINC000065435236 277310423 /nfs/dbraw/zinc/31/04/23/277310423.db2.gz OKCSCWVGDRHMLF-JTQLQIEISA-N 0 0 347.465 2.061 50 30 EEEARN Cc1cccn2c1nc1c(cc(C#N)c(=N)n1Cc1ccccc1)c2=O ZINC000100861830 281404105 /nfs/dbraw/zinc/40/41/05/281404105.db2.gz KAKRWJCFTZSMME-UHFFFAOYSA-N 0 0 341.374 2.357 50 30 EEEARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1ccc(Cl)c(Cl)c1 ZINC000334158655 465040333 /nfs/dbraw/zinc/04/03/33/465040333.db2.gz ZKIMDSJVNKXMKF-ZJUUUORDSA-P 0 0 338.261 2.411 50 30 EEEARN C=CCn1c(SC(C(=O)OCC)=C(C)O)nnc1-c1ccncc1 ZINC000000157626 462544664 /nfs/dbraw/zinc/54/46/64/462544664.db2.gz IMHGXNGSEJJREG-CYBMUJFWSA-N 0 0 346.412 2.139 50 30 EEEARN NC(=O)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000000229580 462550373 /nfs/dbraw/zinc/55/03/73/462550373.db2.gz YNMBTTYXVYAXRW-UHFFFAOYSA-N 0 0 332.403 2.424 50 30 EEEARN O=c1[nH]c2ccccc2c(=O)n1N=Cc1c(O)ccc2ccccc21 ZINC000000530710 462568610 /nfs/dbraw/zinc/56/86/10/462568610.db2.gz LYIUMYYWDJCYKZ-RGVLZGJSSA-N 0 0 331.331 2.431 50 30 EEEARN Oc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1O ZINC000001300175 462578953 /nfs/dbraw/zinc/57/89/53/462578953.db2.gz XBKMTEAQGIXXFJ-RQZCQDPDSA-N 0 0 342.380 2.439 50 30 EEEARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O ZINC000002616399 462597021 /nfs/dbraw/zinc/59/70/21/462597021.db2.gz FQUFZEWVUDEWDF-UHFFFAOYSA-N 0 0 342.399 2.388 50 30 EEEARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1sccc1C#N ZINC000006881790 462710334 /nfs/dbraw/zinc/71/03/34/462710334.db2.gz INJOBNUKBOYGQG-UHFFFAOYSA-N 0 0 326.385 2.246 50 30 EEEARN COc1ccc(CC(=O)OCC(=O)Nc2sccc2C#N)cc1F ZINC000007568975 462740294 /nfs/dbraw/zinc/74/02/94/462740294.db2.gz LWPPJZDCGWRPGA-UHFFFAOYSA-N 0 0 348.355 2.492 50 30 EEEARN C=CCN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 ZINC000007991011 462761404 /nfs/dbraw/zinc/76/14/04/462761404.db2.gz RCBCZQLPDWILLA-CYBMUJFWSA-N 0 0 348.200 2.085 50 30 EEEARN N#Cc1ccc(NCc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 ZINC000012824204 462871520 /nfs/dbraw/zinc/87/15/20/462871520.db2.gz RYCYMNLJYJGTPS-UHFFFAOYSA-N 0 0 339.355 2.310 50 30 EEEARN COc1ccc(NC(=O)c2ccc(Cn3cnc(C#N)n3)cc2)cc1 ZINC000014144410 462914334 /nfs/dbraw/zinc/91/43/34/462914334.db2.gz XDFVNZMLBYYPJS-UHFFFAOYSA-N 0 0 333.351 2.459 50 30 EEEARN Cn1c(Nc2ccc(Oc3ccccc3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000014204776 462918562 /nfs/dbraw/zinc/91/85/62/462918562.db2.gz MADWBMOZRDSISF-UHFFFAOYSA-N 0 0 348.362 2.492 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccs1 ZINC000017909708 463003285 /nfs/dbraw/zinc/00/32/85/463003285.db2.gz NCIVUOBWKHLWFA-UHFFFAOYSA-N 0 0 329.425 2.216 50 30 EEEARN COC(=O)c1cc(C#N)c(N2CCC[C@@H](c3cc[nH]n3)C2)nc1C ZINC000067446693 463006217 /nfs/dbraw/zinc/00/62/17/463006217.db2.gz CYDCYJHCTWPFQO-GFCCVEGCSA-N 0 0 325.372 2.155 50 30 EEEARN CC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000096232813 463223776 /nfs/dbraw/zinc/22/37/76/463223776.db2.gz ZIAABZSMKFSPKJ-CQSZACIVSA-N 0 0 345.248 2.276 50 30 EEEARN C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 ZINC000032106044 463365206 /nfs/dbraw/zinc/36/52/06/463365206.db2.gz NCCQLAYIILQOIZ-QGZVFWFLSA-N 0 0 342.439 2.487 50 30 EEEARN CC[C@H]1CN(C(=O)C2(C#N)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071708123 463418836 /nfs/dbraw/zinc/41/88/36/463418836.db2.gz DPINVZIKDNTSPM-INIZCTEOSA-N 0 0 325.412 2.330 50 30 EEEARN N#Cc1nccnc1O[C@@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000225480377 464164277 /nfs/dbraw/zinc/16/42/77/464164277.db2.gz XFGAONMOGGJROJ-URWSZGRFSA-N 0 0 340.408 2.493 50 30 EEEARN N#Cc1ccc(C(=O)NCCc2csc(-c3ccncc3)n2)cn1 ZINC000252510309 464975761 /nfs/dbraw/zinc/97/57/61/464975761.db2.gz ZGQJBCDFCFNDNX-UHFFFAOYSA-N 0 0 335.392 2.444 50 30 EEEARN CC(C)Cn1nnnc1S[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000030397316 519549252 /nfs/dbraw/zinc/54/92/52/519549252.db2.gz IGBLLGIQDOCSEG-GFCCVEGCSA-N 0 0 336.465 2.152 50 30 EEEARN CCOCCOC(=NC(=O)c1ccccc1F)NC[C@H]1CCCO1 ZINC000004798677 519971643 /nfs/dbraw/zinc/97/16/43/519971643.db2.gz OUEHRALCNRHJHJ-CYBMUJFWSA-N 0 0 338.379 2.144 50 30 EEEARN CC(C)n1nnnc1S[C@H](C)C(=O)N(C)C1(C#N)CCCCC1 ZINC000014093634 520149935 /nfs/dbraw/zinc/14/99/35/520149935.db2.gz YIGDVQVSUBMOIH-GFCCVEGCSA-N 0 0 336.465 2.419 50 30 EEEARN Cc1cc(C(=O)OCC(=O)NCCC#N)c(C)n1-c1ccccc1 ZINC000004835390 524196351 /nfs/dbraw/zinc/19/63/51/524196351.db2.gz QVNQCUNXZGQFNP-UHFFFAOYSA-N 0 0 325.368 2.281 50 30 EEEARN N#CCOc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(F)cc21 ZINC000005451925 526476272 /nfs/dbraw/zinc/47/62/72/526476272.db2.gz BWJNSTKRHZTBEY-SFHVURJKSA-N 0 0 340.310 2.141 50 30 EEEARN CCOC(=O)/C(C#N)=N\OCC(=O)c1ccc(Br)cc1 ZINC000004653754 210238353 /nfs/dbraw/zinc/23/83/53/210238353.db2.gz PFGHMWANIYJRHE-WJDWOHSUSA-N 0 0 339.145 2.091 50 30 EEEARN N#Cc1cccc(C(=O)N2CC(c3nc(-c4cccnc4)no3)C2)c1 ZINC000049483329 214012349 /nfs/dbraw/zinc/01/23/49/214012349.db2.gz NBLWMGZTXWAZCD-UHFFFAOYSA-N 0 0 331.335 2.243 50 30 EEEARN N#Cc1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000003592830 210059997 /nfs/dbraw/zinc/05/99/97/210059997.db2.gz XGAZHQMAIVHGQY-UHFFFAOYSA-N 0 0 340.383 2.142 50 30 EEEARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000003555655 210054360 /nfs/dbraw/zinc/05/43/60/210054360.db2.gz XERYPOORXUHDGU-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN Cc1sc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C#N)c1C ZINC000103053053 219250467 /nfs/dbraw/zinc/25/04/67/219250467.db2.gz SHALZIRGVWMPSI-RYUDHWBXSA-N 0 0 343.408 2.126 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(O)cc1 ZINC000103874357 219328356 /nfs/dbraw/zinc/32/83/56/219328356.db2.gz NECDYWDXGYMKNC-DPEHCCBOSA-N 0 0 343.335 2.053 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(O)cc1 ZINC000103874362 219328746 /nfs/dbraw/zinc/32/87/46/219328746.db2.gz NECDYWDXGYMKNC-IDTYTIONSA-N 0 0 343.335 2.053 50 30 EEEARN CCOC(=O)c1nn(-c2ccc(Br)cc2)c(N)c1C#N ZINC000038537293 213213904 /nfs/dbraw/zinc/21/39/04/213213904.db2.gz PCKQIJFJPFPOHQ-UHFFFAOYSA-N 0 0 335.161 2.265 50 30 EEEARN Cc1oc(NC(=O)CN2CCC[C@H](c3cc[nH]n3)C2)c(C#N)c1C ZINC000072270656 216092676 /nfs/dbraw/zinc/09/26/76/216092676.db2.gz BKCALXKWRZMMSJ-ZDUSSCGKSA-N 0 0 327.388 2.309 50 30 EEEARN C=CCc1ccccc1OC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000000303649 209525253 /nfs/dbraw/zinc/52/52/53/209525253.db2.gz FXWPWOBBSJXBIX-OAHLLOKOSA-N 0 0 337.375 2.451 50 30 EEEARN Cc1nn(-c2ccccc2)c(CN2C(=O)NC3(CCCC3)C2=O)c1C#N ZINC000027214881 212550132 /nfs/dbraw/zinc/55/01/32/212550132.db2.gz WFGQKKONXBQCQJ-UHFFFAOYSA-N 0 0 349.394 2.417 50 30 EEEARN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C#N)c1 ZINC000026830767 212537002 /nfs/dbraw/zinc/53/70/02/212537002.db2.gz GUFVVCVWBGUOTI-UHFFFAOYSA-N 0 0 331.353 2.287 50 30 EEEARN COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3ccccc3)o2)c1 ZINC000025963693 212502400 /nfs/dbraw/zinc/50/24/00/212502400.db2.gz KQGQVBYWOQGTQM-UHFFFAOYSA-N 0 0 335.319 2.210 50 30 EEEARN Cc1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000023436961 212376420 /nfs/dbraw/zinc/37/64/20/212376420.db2.gz CCGQCKGROALJRC-UHFFFAOYSA-N 0 0 340.452 2.210 50 30 EEEARN N#CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 ZINC000023107684 212347914 /nfs/dbraw/zinc/34/79/14/212347914.db2.gz JHENKLQGYRWTNQ-UHFFFAOYSA-N 0 0 335.285 2.424 50 30 EEEARN N#Cc1ccsc1NC(=O)Cn1cnc2cc(F)ccc2c1=O ZINC000016698962 211931298 /nfs/dbraw/zinc/93/12/98/211931298.db2.gz CNGHACKZTHGCES-UHFFFAOYSA-N 0 0 328.328 2.107 50 30 EEEARN N#Cc1ccc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000012777374 211453705 /nfs/dbraw/zinc/45/37/05/211453705.db2.gz SYYFDNSQDIMNJJ-UHFFFAOYSA-N 0 0 335.363 2.468 50 30 EEEARN N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000091894082 218085010 /nfs/dbraw/zinc/08/50/10/218085010.db2.gz JFTOJYJZAULETB-HXUWFJFHSA-N 0 0 337.423 2.423 50 30 EEEARN C=CCn1c(CC)nnc1SCC(=O)Nc1nnc(CC)s1 ZINC000009699328 258018031 /nfs/dbraw/zinc/01/80/31/258018031.db2.gz WYIWTCAXFYNZBF-UHFFFAOYSA-N 0 0 338.462 2.171 50 30 EEEARN C#CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000008778923 258018171 /nfs/dbraw/zinc/01/81/71/258018171.db2.gz CCMTYGVVIUMSIB-WYMLVPIESA-N 0 0 340.404 2.462 50 30 EEEARN CN1c2ccc([N+](=O)[O-])cc2C(=NNc2ccc([N+](=O)[O-])cc2)C1=O ZINC000006320592 277216634 /nfs/dbraw/zinc/21/66/34/277216634.db2.gz OKHRIEWOTFNPKR-VKAVYKQESA-N 0 0 341.283 2.296 50 30 EEEARN C=CCN1C(=S)N(c2ccc(CC)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000001064004 277856948 /nfs/dbraw/zinc/85/69/48/277856948.db2.gz FVXIXCWTNABXHN-CABCVRRESA-N 0 0 336.482 2.008 50 30 EEEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(N)=O)cnn32)cc1 ZINC000040268214 295217944 /nfs/dbraw/zinc/21/79/44/295217944.db2.gz BBORYZMHFAFQKL-MRXNPFEDSA-N 0 0 338.367 2.013 50 30 EEEARN COc1ccc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)c(OC)c1OC ZINC000003907190 295246794 /nfs/dbraw/zinc/24/67/94/295246794.db2.gz GXMWCXQARDDAAB-AWEZNQCLSA-N 0 0 344.371 2.182 50 30 EEEARN Cc1cc(C)n(/N=C\c2ccc(Br)cc2)c(=O)c1C(N)=O ZINC000022588891 301236102 /nfs/dbraw/zinc/23/61/02/301236102.db2.gz GFQSRCIETQFASI-LSCVHKIXSA-N 0 0 348.200 2.209 50 30 EEEARN N#CCCN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000032097126 303153321 /nfs/dbraw/zinc/15/33/21/303153321.db2.gz AEKBAUPFDUUTLU-INIZCTEOSA-N 0 0 346.818 2.478 50 30 EEEARN C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000000472534 462565803 /nfs/dbraw/zinc/56/58/03/462565803.db2.gz NZDVNTRLDKNYCP-GFCCVEGCSA-N 0 0 344.440 2.439 50 30 EEEARN Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc2c(c1)OCO2 ZINC000000032951 462540245 /nfs/dbraw/zinc/54/02/45/462540245.db2.gz GEATVBKNXZHVHK-VXLYETTFSA-N 0 0 334.335 2.225 50 30 EEEARN CN(OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002164952 462590147 /nfs/dbraw/zinc/59/01/47/462590147.db2.gz HRPMGHDKSVFOSV-UHFFFAOYSA-N 0 0 345.267 2.347 50 30 EEEARN COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002308022 462591017 /nfs/dbraw/zinc/59/10/17/462591017.db2.gz BTTMQMZUPJINCY-CYBMUJFWSA-N 0 0 340.383 2.027 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006307982 462682000 /nfs/dbraw/zinc/68/20/00/462682000.db2.gz WUQJSILQSFLEMY-ZDUSSCGKSA-N 0 0 333.369 2.117 50 30 EEEARN N#Cc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000007899803 462755816 /nfs/dbraw/zinc/75/58/16/462755816.db2.gz JFIVCEJDKWFHDU-UHFFFAOYSA-N 0 0 325.393 2.218 50 30 EEEARN COC(=O)c1cc(COC(=O)COc2ccc(C#N)cc2)oc1C ZINC000008010098 462762432 /nfs/dbraw/zinc/76/24/32/462762432.db2.gz QEUOVFZUVRVFTB-UHFFFAOYSA-N 0 0 329.308 2.369 50 30 EEEARN COc1ccc(CC(=O)NCC#CCOc2ccccc2OC)cc1 ZINC000090610378 462802969 /nfs/dbraw/zinc/80/29/69/462802969.db2.gz RIRQPNDJUZCEHR-UHFFFAOYSA-N 0 0 339.391 2.445 50 30 EEEARN C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)C)c1=O ZINC000012245385 462848746 /nfs/dbraw/zinc/84/87/46/462848746.db2.gz LQOHFPKIDPPNAU-UHFFFAOYSA-N 0 0 345.443 2.265 50 30 EEEARN C=CCN1C(=O)C(=O)N(Cc2coc(-c3ccc(C)cc3)n2)C1=O ZINC000012916981 462875986 /nfs/dbraw/zinc/87/59/86/462875986.db2.gz RNTMTPGSUBQJTO-UHFFFAOYSA-N 0 0 325.324 2.127 50 30 EEEARN C#CCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013005070 462880255 /nfs/dbraw/zinc/88/02/55/462880255.db2.gz WEKPELMEVJMQPD-UHFFFAOYSA-N 0 0 346.740 2.219 50 30 EEEARN CC(C)n1nnnc1S[C@@H](C)C(=O)N(C)C1(C#N)CCCCC1 ZINC000014093633 462910421 /nfs/dbraw/zinc/91/04/21/462910421.db2.gz YIGDVQVSUBMOIH-LBPRGKRZSA-N 0 0 336.465 2.419 50 30 EEEARN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000119749572 462924913 /nfs/dbraw/zinc/92/49/13/462924913.db2.gz NFVBCTJVTLKXLI-CYBMUJFWSA-N 0 0 347.419 2.382 50 30 EEEARN NC(=O)c1cc(C2=NN/C(=N\c3ccccc3)SC2)ccc1O ZINC000015404646 462951595 /nfs/dbraw/zinc/95/15/95/462951595.db2.gz RRTYTVCFKOGZPL-UHFFFAOYSA-N 0 0 326.381 2.219 50 30 EEEARN C=CCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccco1 ZINC000015746041 462962409 /nfs/dbraw/zinc/96/24/09/462962409.db2.gz ARXFQOTZTGBQAS-NTCAYCPXSA-N 0 0 326.352 2.361 50 30 EEEARN C=CCN1CCN(C(=O)c2n[nH]nc2Nc2ccc(CC)cc2)CC1 ZINC000067284256 462988105 /nfs/dbraw/zinc/98/81/05/462988105.db2.gz SGUNSDNTCQIAGR-UHFFFAOYSA-N 0 0 340.431 2.055 50 30 EEEARN COc1ccc(OC)c(S(=O)(=O)N/N=C\c2ccc(C)s2)c1 ZINC000017071249 462994381 /nfs/dbraw/zinc/99/43/81/462994381.db2.gz AWKDBJASALURGI-DHDCSXOGSA-N 0 0 340.426 2.386 50 30 EEEARN CCOc1cc(C#N)ccc1OCC(=O)OCC(=O)c1ccc[nH]1 ZINC000017730778 463000836 /nfs/dbraw/zinc/00/08/36/463000836.db2.gz AQNPQMNCBFCQBT-UHFFFAOYSA-N 0 0 328.324 2.090 50 30 EEEARN Cc1cc(N2CCC[C@H](C(N)=O)C2)n2c3ccccc3nc2c1C#N ZINC000022534776 463051596 /nfs/dbraw/zinc/05/15/96/463051596.db2.gz OEKVYJGKYNABHD-ZDUSSCGKSA-N 0 0 333.395 2.369 50 30 EEEARN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O ZINC000024092192 463078309 /nfs/dbraw/zinc/07/83/09/463078309.db2.gz OELYWZVAXZUVNA-APWZRJJASA-N 0 0 335.363 2.059 50 30 EEEARN N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1 ZINC000024701368 463095449 /nfs/dbraw/zinc/09/54/49/463095449.db2.gz XILWRQRCJNXMRU-UHFFFAOYSA-N 0 0 334.379 2.444 50 30 EEEARN N#Cc1c(F)cccc1N1CCN(C(=O)/C=C/c2cccnc2)CC1 ZINC000026022346 463147995 /nfs/dbraw/zinc/14/79/95/463147995.db2.gz FJBUPYSEZPLKIL-VOTSOKGWSA-N 0 0 336.370 2.454 50 30 EEEARN COCCOc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1 ZINC000026529446 463165845 /nfs/dbraw/zinc/16/58/45/463165845.db2.gz NIAFJTSAYHVOLI-UHFFFAOYSA-N 0 0 332.381 2.384 50 30 EEEARN N#C[C@@H](C(=O)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F ZINC000103719117 463406382 /nfs/dbraw/zinc/40/63/82/463406382.db2.gz MAXUDRUFSKYLDO-LBPRGKRZSA-N 0 0 340.310 2.444 50 30 EEEARN CC[C@H](C#N)S(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000108134331 463591046 /nfs/dbraw/zinc/59/10/46/463591046.db2.gz LKONXBIIFJRICU-HUUCEWRRSA-N 0 0 348.403 2.269 50 30 EEEARN C=CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012587036 518910799 /nfs/dbraw/zinc/91/07/99/518910799.db2.gz MWODUXXJGXXIOB-LBPRGKRZSA-N 0 0 341.333 2.292 50 30 EEEARN C=CCn1cnn(CN(C)Cc2ccc(C(=O)NC)cc2)c1=S ZINC000014251274 519284975 /nfs/dbraw/zinc/28/49/75/519284975.db2.gz UUNSSSLVZJYWRO-UHFFFAOYSA-N 0 0 331.445 2.049 50 30 EEEARN COc1ccccc1C=NN=c1cc(C)[nH]c(N2CCOCC2)n1 ZINC000004857306 524325692 /nfs/dbraw/zinc/32/56/92/524325692.db2.gz NIQGSAWMLHWKQL-LDADJPATSA-N 0 0 327.388 2.076 50 30 EEEARN COc1ccc2[nH]c(SCC(=O)N(CCC#N)CCC#N)nc2c1 ZINC000005396615 525679338 /nfs/dbraw/zinc/67/93/38/525679338.db2.gz XUSZSSCCXGZBMN-UHFFFAOYSA-N 0 0 343.412 2.320 50 30 EEEARN Cc1ccc(CN2CCN(C(=O)c3ccc(C#N)nc3)[C@@H](C)C2=O)cc1 ZINC000055341438 214309015 /nfs/dbraw/zinc/30/90/15/214309015.db2.gz UQLPLLMSQCKRFQ-HNNXBMFYSA-N 0 0 348.406 2.135 50 30 EEEARN Oc1ccc(CN=Nc2ccc3nnc(C(F)(F)F)n3n2)c(O)c1 ZINC000004534976 210215236 /nfs/dbraw/zinc/21/52/36/210215236.db2.gz WBSLAZPNMOYGMZ-UBKPWBPPSA-N 0 0 338.249 2.000 50 30 EEEARN NC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 ZINC000004210124 210145068 /nfs/dbraw/zinc/14/50/68/210145068.db2.gz PZPBDGCKOZXAGN-GGNBMFIYSA-N 0 0 325.393 2.473 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000004113571 210123628 /nfs/dbraw/zinc/12/36/28/210123628.db2.gz HUMIAESKSKEUHI-CQSZACIVSA-N 0 0 332.356 2.061 50 30 EEEARN CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)C(C)(C)C)nc2c1 ZINC000102397758 219199403 /nfs/dbraw/zinc/19/94/03/219199403.db2.gz OQFCZWWXMYULTF-XFXZXTDPSA-N 0 0 337.397 2.310 50 30 EEEARN N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000003592925 210060367 /nfs/dbraw/zinc/06/03/67/210060367.db2.gz HGACCPPDYCBCJX-UHFFFAOYSA-N 0 0 340.383 2.142 50 30 EEEARN CC(C)c1nc(CN2CCCN(C[C@@H](C#N)CCC#N)CC2)no1 ZINC000106785602 219693088 /nfs/dbraw/zinc/69/30/88/219693088.db2.gz OYVCWADCVFQUSC-OAHLLOKOSA-N 0 0 330.436 2.144 50 30 EEEARN CCc1nc(C)sc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000216477650 241194719 /nfs/dbraw/zinc/19/47/19/241194719.db2.gz BSISGZZJHNPVOB-UHFFFAOYSA-N 0 0 341.440 2.243 50 30 EEEARN CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)n[nH]c1=O ZINC000014244026 211721070 /nfs/dbraw/zinc/72/10/70/211721070.db2.gz BBVFEZNGNBTFEA-NSHDSACASA-N 0 0 345.428 2.362 50 30 EEEARN CCCOc1ccccc1NC(=O)Cn1nc(C)c(C)c(C#N)c1=O ZINC000012999827 211506604 /nfs/dbraw/zinc/50/66/04/211506604.db2.gz YLBGHKVUMMUVQY-UHFFFAOYSA-N 0 0 340.383 2.159 50 30 EEEARN CCn1cc(C#N)c(=O)n(CCCOc2ccc(Cl)cc2)c1=O ZINC000009376061 211076742 /nfs/dbraw/zinc/07/67/42/211076742.db2.gz LGMLSULZVAQQNO-UHFFFAOYSA-N 0 0 333.775 2.024 50 30 EEEARN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000008225310 210916344 /nfs/dbraw/zinc/91/63/44/210916344.db2.gz QRZPJBVSWAGDER-LBPRGKRZSA-N 0 0 344.392 2.369 50 30 EEEARN COc1ccc(N2C(=O)C(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000005089429 210387176 /nfs/dbraw/zinc/38/71/76/210387176.db2.gz CXFQRYFJJYDYMZ-UHFFFAOYSA-N 0 0 335.319 2.062 50 30 EEEARN C=CCOC(=O)[C@]12C[C@](C)(OC(C)=O)[C@@H]1c1ccccc1OC2=O ZINC000103108411 277873711 /nfs/dbraw/zinc/87/37/11/277873711.db2.gz OXEJIIKLRXTAFZ-WBAXXEDZSA-N 0 0 330.336 2.130 50 30 EEEARN Cc1cnc(N2CCc3c(cnc(C)c3C#N)C2)nc1-c1cnn(C)c1 ZINC000020862346 281611810 /nfs/dbraw/zinc/61/18/10/281611810.db2.gz LUMMQSLEVCMRLU-UHFFFAOYSA-N 0 0 345.410 2.323 50 30 EEEARN CCOC(=O)c1sc2ncn(/N=C/c3cccnc3)c(=O)c2c1C ZINC000000126211 462542665 /nfs/dbraw/zinc/54/26/65/462542665.db2.gz XQJICCIJILZQDA-UFWORHAWSA-N 0 0 342.380 2.220 50 30 EEEARN Cc1nc(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)no1 ZINC000534649348 468269432 /nfs/dbraw/zinc/26/94/32/468269432.db2.gz OQODABJYQFTRHC-UHFFFAOYSA-N 0 0 325.372 2.145 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000443738 462563459 /nfs/dbraw/zinc/56/34/59/462563459.db2.gz GFCXXUDGARUXQC-HNNXBMFYSA-N 0 0 339.307 2.479 50 30 EEEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2cccc(O)c2)c1=O ZINC000000530875 462569086 /nfs/dbraw/zinc/56/90/86/462569086.db2.gz QYRHVBHZDYKFMD-AWQFTUOYSA-N 0 0 334.335 2.474 50 30 EEEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1 ZINC000005687413 462667592 /nfs/dbraw/zinc/66/75/92/462667592.db2.gz VCKBZGLPVQRPNA-MRXNPFEDSA-N 0 0 341.338 2.396 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000009470254 462803650 /nfs/dbraw/zinc/80/36/50/462803650.db2.gz FWXQHJDHTPKWGC-LPHOPBHVSA-N 0 0 328.460 2.252 50 30 EEEARN C#CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000012532650 462854067 /nfs/dbraw/zinc/85/40/67/462854067.db2.gz JLFHBSYGWCVNFY-UHFFFAOYSA-N 0 0 342.420 2.467 50 30 EEEARN Cc1ncc(CO)c(/C=N/N=c2\sc3ccccc3n2C)c1O ZINC000013940869 462906676 /nfs/dbraw/zinc/90/66/76/462906676.db2.gz BXSPQAWBWXEHCI-BELIZPCPSA-N 0 0 328.397 2.076 50 30 EEEARN COc1cc2c(C#N)c(N3CCc4ccccc4C3)nc(N)c2c(N)n1 ZINC000025435873 463124975 /nfs/dbraw/zinc/12/49/75/463124975.db2.gz WBDIOHPYBSSOBO-UHFFFAOYSA-N 0 0 346.394 2.237 50 30 EEEARN N#Cc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000096365450 463236357 /nfs/dbraw/zinc/23/63/57/463236357.db2.gz HSPNNLNBEXSNSE-QGZVFWFLSA-N 0 0 340.404 2.247 50 30 EEEARN N#Cc1nc(C2CC2)oc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000029226969 463248551 /nfs/dbraw/zinc/24/85/51/463248551.db2.gz OVANAUUBDQDYPO-KRWDZBQOSA-N 0 0 338.411 2.279 50 30 EEEARN CCN(CC)C(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2 ZINC000032074970 463363625 /nfs/dbraw/zinc/36/36/25/463363625.db2.gz SPURWKQUINIVQY-UHFFFAOYSA-N 0 0 331.416 2.360 50 30 EEEARN Cc1nn(C)c(C)c1C=CC(O)=C(C#N)C(=O)NC1CCCCC1 ZINC000100871155 463375074 /nfs/dbraw/zinc/37/50/74/463375074.db2.gz CPXHNUFTXGGABH-SCOAYWHSSA-N 0 0 328.416 2.208 50 30 EEEARN N#Cc1ccc(C(=O)NCc2noc(COc3ccccc3)n2)cc1 ZINC000033328374 463421010 /nfs/dbraw/zinc/42/10/10/463421010.db2.gz MIHYCNAHLYNTQU-UHFFFAOYSA-N 0 0 334.335 2.450 50 30 EEEARN N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CCCC4)ncn3)C2)cn1 ZINC000223648575 464145471 /nfs/dbraw/zinc/14/54/71/464145471.db2.gz SBIXOLQCMLXCHT-FZNQNYSPSA-N 0 0 348.410 2.019 50 30 EEEARN N#CC1CCN(C(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)CC1 ZINC000584887724 468955001 /nfs/dbraw/zinc/95/50/01/468955001.db2.gz GAGXGFVZMCZIIB-QGZVFWFLSA-N 0 0 342.443 2.302 50 30 EEEARN CC[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C(=O)N(C)C ZINC000584898325 468958277 /nfs/dbraw/zinc/95/82/77/468958277.db2.gz QHGQUMVUUIFZBS-MRXNPFEDSA-N 0 0 342.443 2.120 50 30 EEEARN N#Cc1nccnc1N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000670467112 485652939 /nfs/dbraw/zinc/65/29/39/485652939.db2.gz ZXVGPHHBGLVUQF-CYBMUJFWSA-N 0 0 333.355 2.177 50 30 EEEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCO[C@@H](C)C3)sc2C1 ZINC000014139330 518179743 /nfs/dbraw/zinc/17/97/43/518179743.db2.gz XIOFORDSZYDHPS-NEPJUHHUSA-N 0 0 333.457 2.404 50 30 EEEARN C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccc(C)cc1 ZINC000018278613 518238417 /nfs/dbraw/zinc/23/84/17/518238417.db2.gz DHDYUXILEXNVKT-UHFFFAOYSA-N 0 0 343.456 2.371 50 30 EEEARN C=CCCC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000225732284 534607092 /nfs/dbraw/zinc/60/70/92/534607092.db2.gz JWVLDUFVZKGHBO-UHFFFAOYSA-N 0 0 328.338 2.419 50 30 EEEARN N#CC1(NC(=O)CSc2nncn2Cc2ccco2)CCCCC1 ZINC000014196679 526439216 /nfs/dbraw/zinc/43/92/16/526439216.db2.gz ABGCIPVALFJWIZ-UHFFFAOYSA-N 0 0 345.428 2.354 50 30 EEEARN N#CCCN(CCC#N)C(=O)COc1ccccc1Br ZINC000031655732 526455099 /nfs/dbraw/zinc/45/50/99/526455099.db2.gz TUWGUEMELOUJJF-UHFFFAOYSA-N 0 0 336.189 2.484 50 30 EEEARN COC(=O)C(=O)C=C(NN=c1nc[nH]c2ccccc21)c1ccccc1 ZINC000105725657 1204893123 /nfs/dbraw/zinc/89/31/23/1204893123.db2.gz MNFHMGKDVXPSQB-WJDWOHSUSA-N 0 0 348.362 2.330 50 30 EEEARN OCC#Cc1ccc(-c2nccn2C[C@H](O)c2ccc(O)cc2)s1 ZINC000077439945 1370940372 /nfs/dbraw/zinc/94/03/72/1370940372.db2.gz FIMCDKIWLOWSHA-INIZCTEOSA-N 0 0 340.404 2.395 50 30 EEEARN CCOC(=O)c1nnsc1N=NCc1ccc(OC)cc1OC ZINC000004478294 210198696 /nfs/dbraw/zinc/19/86/96/210198696.db2.gz DRRRVIDSFIHHCF-OVCLIPMQSA-N 0 0 336.373 2.178 50 30 EEEARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)C1N=CC=CC1=O ZINC000101051585 219115130 /nfs/dbraw/zinc/11/51/30/219115130.db2.gz BUJGKRDHCIQZCR-YPKPFQOOSA-N 0 0 336.735 2.187 50 30 EEEARN CC(C)n1cnnc1CN(C)C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000065532154 214949938 /nfs/dbraw/zinc/94/99/38/214949938.db2.gz AAYHDDLZMCPBGG-UHFFFAOYSA-N 0 0 340.427 2.254 50 30 EEEARN COc1nc2ccn(CCc3nc4ccccc4[nH]3)c(=O)c2cc1C#N ZINC000067920461 215250209 /nfs/dbraw/zinc/25/02/09/215250209.db2.gz UAFHTSSSQOUFBX-UHFFFAOYSA-N 0 0 345.362 2.396 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2ccccc2)n1 ZINC000103717474 219320726 /nfs/dbraw/zinc/32/07/26/219320726.db2.gz WLTOXFQLBUUGJS-CQSZACIVSA-N 0 0 331.335 2.228 50 30 EEEARN Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)c(C)n2)C3)n1 ZINC000685941907 539989629 /nfs/dbraw/zinc/98/96/29/539989629.db2.gz DCCFYSVIDIKYFJ-KSSFIOAISA-N 0 0 337.383 2.147 50 30 EEEARN COC(=O)c1cc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c(C)o1 ZINC000071776458 215825089 /nfs/dbraw/zinc/82/50/89/215825089.db2.gz BABAVNNUMBPFTE-JTQLQIEISA-N 0 0 327.340 2.394 50 30 EEEARN COc1cccc(/C=N/n2cnc3c(cnn3-c3ccccc3)c2=O)c1 ZINC000000154428 209456728 /nfs/dbraw/zinc/45/67/28/209456728.db2.gz LQFHIEYLCPGFEE-SRZZPIQSSA-N 0 0 345.362 2.473 50 30 EEEARN N#Cc1nccnc1O[C@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000225802118 242042646 /nfs/dbraw/zinc/04/26/46/242042646.db2.gz NAOSVJNFIZUMGQ-AWEZNQCLSA-N 0 0 345.362 2.190 50 30 EEEARN CC[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)cc1 ZINC000014143879 211694873 /nfs/dbraw/zinc/69/48/73/211694873.db2.gz IUKGSPPFYXCRFF-GFCCVEGCSA-N 0 0 348.204 2.180 50 30 EEEARN N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000012978930 211497560 /nfs/dbraw/zinc/49/75/60/211497560.db2.gz JSWVHRJASFLRTL-UHFFFAOYSA-N 0 0 341.392 2.251 50 30 EEEARN C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000091747045 218059636 /nfs/dbraw/zinc/05/96/36/218059636.db2.gz HJKXUANLKUIOHB-KRWDZBQOSA-N 0 0 339.457 2.343 50 30 EEEARN COc1ccc(NC(C)=O)cc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000011620281 211226021 /nfs/dbraw/zinc/22/60/21/211226021.db2.gz YWEFUVRLLHOTAH-KRWDZBQOSA-N 0 0 332.404 2.120 50 30 EEEARN N#Cc1ccc(N2CCN(CCC(F)(F)C(F)F)CC2=O)cc1 ZINC000092061550 218112315 /nfs/dbraw/zinc/11/23/15/218112315.db2.gz PJSUSKUDVBWSCW-UHFFFAOYSA-N 0 0 329.297 2.497 50 30 EEEARN COc1cc(Cn2nc(C)c(C)c(C#N)c2=O)ccc1OC(F)F ZINC000007385136 210791149 /nfs/dbraw/zinc/79/11/49/210791149.db2.gz ZUOQCBNXJCTQDO-UHFFFAOYSA-N 0 0 335.310 2.390 50 30 EEEARN CCOC(=O)c1cc(C#N)c(SCC(=O)NC(C)(C)C)nc1C ZINC000007149491 210763607 /nfs/dbraw/zinc/76/36/07/210763607.db2.gz MNHOSSOULYKEOD-UHFFFAOYSA-N 0 0 335.429 2.445 50 30 EEEARN CCCc1ccc(S(=O)(=O)N/N=C(\C)c2cn(C)nc2C)cc1 ZINC000006937161 210745629 /nfs/dbraw/zinc/74/56/29/210745629.db2.gz NYCSDVVMIJQCSO-SFQUDFHCSA-N 0 0 334.445 2.384 50 30 EEEARN CCc1cc(C#N)ccc1NC(=O)N(C)C1CCS(=O)(=O)CC1 ZINC000299784124 258091942 /nfs/dbraw/zinc/09/19/42/258091942.db2.gz HVLFDOGSVFVDBT-UHFFFAOYSA-N 0 0 335.429 2.162 50 30 EEEARN N#Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000014094020 264026053 /nfs/dbraw/zinc/02/60/53/264026053.db2.gz MSIRXXBODZAUSN-UHFFFAOYSA-N 0 0 333.347 2.460 50 30 EEEARN Cn1nc(C(F)(F)F)c(C#N)c1S(=O)(=O)Cc1ccccc1 ZINC000003052729 462609859 /nfs/dbraw/zinc/60/98/59/462609859.db2.gz WTZUQRNFLXZBQB-UHFFFAOYSA-N 0 0 329.303 2.284 50 30 EEEARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003262212 462614411 /nfs/dbraw/zinc/61/44/11/462614411.db2.gz ZDQXBUJDSMYRRC-UHFFFAOYSA-N 0 0 337.335 2.312 50 30 EEEARN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC#N ZINC000006387885 462684134 /nfs/dbraw/zinc/68/41/34/462684134.db2.gz ABMDQRIQJUOSBY-UHFFFAOYSA-N 0 0 331.324 2.207 50 30 EEEARN C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(OC)cc1 ZINC000006700015 462698275 /nfs/dbraw/zinc/69/82/75/462698275.db2.gz HFAWTOHEXACQHL-LLVKDONJSA-N 0 0 348.428 2.190 50 30 EEEARN C=C(C)CNC(=S)N1C[C@@H](C(=O)NCCC)Oc2ccccc21 ZINC000007102430 462721802 /nfs/dbraw/zinc/72/18/02/462721802.db2.gz ZZGZDYKSKICWLF-HNNXBMFYSA-N 0 0 333.457 2.231 50 30 EEEARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)n1 ZINC000008671534 462791001 /nfs/dbraw/zinc/79/10/01/462791001.db2.gz HKZVCWOOYZCWNP-UHFFFAOYSA-N 0 0 328.397 2.325 50 30 EEEARN C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000012759283 462867131 /nfs/dbraw/zinc/86/71/31/462867131.db2.gz LBFLEFMLAQYIJZ-UHFFFAOYSA-N 0 0 328.393 2.171 50 30 EEEARN CC(=O)N1CCc2cc(NC(=O)COc3ccccc3C#N)ccc21 ZINC000012787781 462868395 /nfs/dbraw/zinc/86/83/95/462868395.db2.gz IPUKXHXHGLTPLK-UHFFFAOYSA-N 0 0 335.363 2.485 50 30 EEEARN NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013496795 462894201 /nfs/dbraw/zinc/89/42/01/462894201.db2.gz DMKZQKSVQPLNSF-UHFFFAOYSA-N 0 0 339.417 2.371 50 30 EEEARN CCCCCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2 ZINC000013510040 462894552 /nfs/dbraw/zinc/89/45/52/462894552.db2.gz SVCBUTCZEHFCFY-UHFFFAOYSA-N 0 0 343.475 2.380 50 30 EEEARN COc1cccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)c1 ZINC000019874364 463022543 /nfs/dbraw/zinc/02/25/43/463022543.db2.gz IMEFKZYFVGIUBD-UHFFFAOYSA-N 0 0 349.375 2.434 50 30 EEEARN C=CCc1ccccc1OC[C@H](O)CN1C(=O)NC2(CCCC2)C1=O ZINC000024094694 463078590 /nfs/dbraw/zinc/07/85/90/463078590.db2.gz CQWODEDJCXJHGM-OAHLLOKOSA-N 0 0 344.411 2.019 50 30 EEEARN C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccccc1C#N ZINC000024977322 463103630 /nfs/dbraw/zinc/10/36/30/463103630.db2.gz BQIPZXYUYFZIFJ-GFCCVEGCSA-N 0 0 334.335 2.390 50 30 EEEARN Cc1cccc2c1ncn(CC(=O)N(C)Cc1cccc(C#N)c1)c2=O ZINC000025103694 463109860 /nfs/dbraw/zinc/10/98/60/463109860.db2.gz CEXDYDJLSSXBFP-UHFFFAOYSA-N 0 0 346.390 2.235 50 30 EEEARN N#Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000026539228 463167004 /nfs/dbraw/zinc/16/70/04/463167004.db2.gz MOQYKHQDWRZWPM-UHFFFAOYSA-N 0 0 349.390 2.245 50 30 EEEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCc1ccccn1 ZINC000029162695 463245489 /nfs/dbraw/zinc/24/54/89/463245489.db2.gz AZWJGYKUPLDVPW-AWEZNQCLSA-N 0 0 347.378 2.460 50 30 EEEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1c(C)cnn1C ZINC000101126847 463376690 /nfs/dbraw/zinc/37/66/90/463376690.db2.gz UKGFVBFKQUIOIQ-MNDPQUGUSA-N 0 0 328.372 2.258 50 30 EEEARN CCCCCCCCN1C(=O)C(=CNCCC)C(=O)NC1=S ZINC000103009918 463393671 /nfs/dbraw/zinc/39/36/71/463393671.db2.gz IEDLDNODCYLHDO-SEYXRHQNSA-N 0 0 325.478 2.474 50 30 EEEARN N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 ZINC000071750862 463420542 /nfs/dbraw/zinc/42/05/42/463420542.db2.gz DRAAXPABYUQLBF-OAHLLOKOSA-N 0 0 346.394 2.211 50 30 EEEARN CC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033760928 463423633 /nfs/dbraw/zinc/42/36/33/463423633.db2.gz KZMCSWABALTQKE-INIZCTEOSA-N 0 0 325.368 2.362 50 30 EEEARN Cn1cc([C@@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@H](O)C2)cn1 ZINC000223186930 464138176 /nfs/dbraw/zinc/13/81/76/464138176.db2.gz SYJIBEQPRSFZCX-XCRHUMRWSA-N 0 0 337.427 2.490 50 30 EEEARN C=CCc1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000247910329 464713089 /nfs/dbraw/zinc/71/30/89/464713089.db2.gz KDUGLTZTMQVDGV-BFYDXBDKSA-N 0 0 335.444 2.273 50 30 EEEARN N#Cc1nc(=O)n(-c2ccccc2)c(N)c1N=Cc1ccc(O)c(O)c1 ZINC000253534436 465016928 /nfs/dbraw/zinc/01/69/28/465016928.db2.gz YHTJEHQYSILMKN-UHFFFAOYSA-N 0 0 347.334 2.091 50 30 EEEARN C=CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036254739 518926097 /nfs/dbraw/zinc/92/60/97/518926097.db2.gz JJJFMHRFLFKFMC-SFHVURJKSA-N 0 0 347.503 2.182 50 30 EEEARN CCOCCOC(=NC(=O)c1ccccc1F)NC[C@@H]1CCCO1 ZINC000004798674 519972304 /nfs/dbraw/zinc/97/23/04/519972304.db2.gz OUEHRALCNRHJHJ-ZDUSSCGKSA-N 0 0 338.379 2.144 50 30 EEEARN CCOc1ccc(C(=O)ONC(=N)c2ccccn2)cc1OCC ZINC000018173081 520922108 /nfs/dbraw/zinc/92/21/08/520922108.db2.gz WSXMMZGXGICPTE-UHFFFAOYSA-N 0 0 329.356 2.356 50 30 EEEARN COc1cccc(C(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c1OC ZINC000018161857 525837892 /nfs/dbraw/zinc/83/78/92/525837892.db2.gz FPFLUHKCHPLAAS-UHFFFAOYSA-N 0 0 345.311 2.089 50 30 EEEARN C=CCn1cnnc1SCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000009911998 527390457 /nfs/dbraw/zinc/39/04/57/527390457.db2.gz FWEDNGXDIGAVSY-NSHDSACASA-N 0 0 346.412 2.162 50 30 EEEARN C=C(C)COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cc1 ZINC000952961659 796078002 /nfs/dbraw/zinc/07/80/02/796078002.db2.gz OWBNYYAMLIVIIU-QGZVFWFLSA-N 0 0 345.443 2.179 50 30 EEEARN C=CCOc1ccc(C(=O)N2CCC(=O)NC[C@H]2C)cc1OCC ZINC000055402648 214320105 /nfs/dbraw/zinc/32/01/05/214320105.db2.gz OHXBHTROFYUPCD-CYBMUJFWSA-N 0 0 332.400 2.001 50 30 EEEARN CC(=O)C(=CNc1ncccn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100219158 219094658 /nfs/dbraw/zinc/09/46/58/219094658.db2.gz BNBWBMJLLNDWFK-UKTHLTGXSA-N 0 0 337.788 2.446 50 30 EEEARN COc1ccc(NN=C2C(=O)ON=C2c2ccc(OC)cc2)cc1 ZINC000100356871 219097738 /nfs/dbraw/zinc/09/77/38/219097738.db2.gz KQSDSJLMWVZWCX-MNDPQUGUSA-N 0 0 325.324 2.433 50 30 EEEARN CCCCCCCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002317953 209839839 /nfs/dbraw/zinc/83/98/39/209839839.db2.gz RGHPSQSMPDDRSL-UHFFFAOYSA-N 0 0 347.463 2.384 50 30 EEEARN CC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC1 ZINC000426383130 241269857 /nfs/dbraw/zinc/26/98/57/241269857.db2.gz LNJDXHZZAXLTJK-UHFFFAOYSA-N 0 0 348.406 2.315 50 30 EEEARN C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021784818 212250753 /nfs/dbraw/zinc/25/07/53/212250753.db2.gz AIVLLHGDVLAZRY-LLVKDONJSA-N 0 0 347.346 2.248 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000020522577 212143915 /nfs/dbraw/zinc/14/39/15/212143915.db2.gz RHZOFYRJLUIHPK-UHFFFAOYSA-N 0 0 340.452 2.376 50 30 EEEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000009515529 211097426 /nfs/dbraw/zinc/09/74/26/211097426.db2.gz DHNCWTGEJWXRGY-KRWDZBQOSA-N 0 0 349.456 2.139 50 30 EEEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000012535991 258054537 /nfs/dbraw/zinc/05/45/37/258054537.db2.gz SUXOTHXWCNKYDE-UHFFFAOYSA-N 0 0 341.392 2.251 50 30 EEEARN COC(=O)c1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000003907192 292036272 /nfs/dbraw/zinc/03/62/72/292036272.db2.gz UTMYCRXICSTYBZ-CQSZACIVSA-N 0 0 342.330 2.226 50 30 EEEARN C=CCNC(=O)CN1CCO[C@H](c2nc(-c3ccccc3)cs2)C1 ZINC000065466245 262499958 /nfs/dbraw/zinc/49/99/58/262499958.db2.gz XJWLNRIUKJJYBX-INIZCTEOSA-N 0 0 343.452 2.486 50 30 EEEARN COc1cc(C#N)ccc1OC(=O)CCNC(=O)c1ccsc1 ZINC000025014276 263999706 /nfs/dbraw/zinc/99/97/06/263999706.db2.gz LDWQPMYRVZUBOP-UHFFFAOYSA-N 0 0 330.365 2.354 50 30 EEEARN COc1ccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@H](C(C)C)C3)cc1 ZINC000006760183 277865682 /nfs/dbraw/zinc/86/56/82/277865682.db2.gz GXYMTXSHSMCWJR-KRWDZBQOSA-N 0 0 339.395 2.397 50 30 EEEARN CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000000093529 462541810 /nfs/dbraw/zinc/54/18/10/462541810.db2.gz DLZHSORVYNBXCC-CXUHLZMHSA-N 0 0 347.400 2.448 50 30 EEEARN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(F)cc1 ZINC000000424185 462561865 /nfs/dbraw/zinc/56/18/65/462561865.db2.gz IKTBMWSSXUSIPN-UHFFFAOYSA-N 0 0 341.342 2.376 50 30 EEEARN O=C(CC1=[N+]([O-])[C@@H]2CCCC[C@H]2N(O)C1=O)c1ccc(Cl)cc1 ZINC000001406008 462581062 /nfs/dbraw/zinc/58/10/62/462581062.db2.gz NFWXVEMFRLRWKR-CHWSQXEVSA-N 0 0 336.775 2.407 50 30 EEEARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2)cc1 ZINC000002616022 462596384 /nfs/dbraw/zinc/59/63/84/462596384.db2.gz VAQNUEIPJDPIGQ-UHFFFAOYSA-N 0 0 337.379 2.343 50 30 EEEARN C=CCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000005304891 462655133 /nfs/dbraw/zinc/65/51/33/462655133.db2.gz VNCRCELRIDVUTL-UHFFFAOYSA-N 0 0 337.354 2.500 50 30 EEEARN N#Cc1cnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc1N ZINC000006978151 462715130 /nfs/dbraw/zinc/71/51/30/462715130.db2.gz WWQCUBCZJSQICY-CQSZACIVSA-N 0 0 339.424 2.386 50 30 EEEARN Cc1nc2ccccc2n1CCNS(=O)(=O)c1cccc(C#N)c1 ZINC000007674678 462746070 /nfs/dbraw/zinc/74/60/70/462746070.db2.gz HAVAGAMNXRAWNA-UHFFFAOYSA-N 0 0 340.408 2.195 50 30 EEEARN Cc1nnc(N2CC[C@@H](CNc3ncccc3C#N)C2)c(C#N)c1C ZINC000065475310 462777229 /nfs/dbraw/zinc/77/72/29/462777229.db2.gz KTTUMWUYWQGHEG-AWEZNQCLSA-N 0 0 333.399 2.170 50 30 EEEARN Cc1cn2nc(N3CC[C@H](CNc4ncccc4C#N)C3)sc2n1 ZINC000065492349 462781219 /nfs/dbraw/zinc/78/12/19/462781219.db2.gz PYFHZGWIMTYRKE-GFCCVEGCSA-N 0 0 339.428 2.304 50 30 EEEARN C=CCOc1ccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC ZINC000017043952 462992900 /nfs/dbraw/zinc/99/29/00/462992900.db2.gz URCAVGOUMSWAGQ-GFCCVEGCSA-N 0 0 341.367 2.126 50 30 EEEARN COc1ccc(OC)c(CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000024452566 463086529 /nfs/dbraw/zinc/08/65/29/463086529.db2.gz XVQLADLZNMDGDJ-UHFFFAOYSA-N 0 0 332.381 2.054 50 30 EEEARN CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccsc1 ZINC000096097461 463172131 /nfs/dbraw/zinc/17/21/31/463172131.db2.gz OIWBNUOPOKSVJJ-AWEZNQCLSA-N 0 0 329.381 2.062 50 30 EEEARN C=CCN1C[C@H](c2nc3ccccc3n2CC(=O)OCC)CC1=O ZINC000027792524 463205449 /nfs/dbraw/zinc/20/54/49/463205449.db2.gz YWXPRSYFZZEJGM-CYBMUJFWSA-N 0 0 327.384 2.101 50 30 EEEARN CN1CCN(C(=O)COc2ccccc2C#N)[C@H](c2ccccc2)C1 ZINC000030029169 463285661 /nfs/dbraw/zinc/28/56/61/463285661.db2.gz FRZFIIIUPBJETF-SFHVURJKSA-N 0 0 335.407 2.452 50 30 EEEARN CC(C)(C)OC(=O)[C@H]1Cc2ccccc2CC[C@H]1OS(C)(=O)=O ZINC000043198744 463628109 /nfs/dbraw/zinc/62/81/09/463628109.db2.gz NSBVGQKHZOQIDR-LSDHHAIUSA-N 0 0 340.441 2.478 50 30 EEEARN CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CC[C@@H]1OS(C)(=O)=O ZINC000043198741 463628365 /nfs/dbraw/zinc/62/83/65/463628365.db2.gz NSBVGQKHZOQIDR-CABCVRRESA-N 0 0 340.441 2.478 50 30 EEEARN CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000225674678 464178993 /nfs/dbraw/zinc/17/89/93/464178993.db2.gz OBKLWCFBZAQEBP-UHFFFAOYSA-N 0 0 334.422 2.343 50 30 EEEARN CCOc1cc(C=NN2C(=S)N=NC2c2cc(C)[nH]n2)ccc1O ZINC000005458364 520645068 /nfs/dbraw/zinc/64/50/68/520645068.db2.gz WPEBFUNSBRHQBM-LZYBPNLTSA-N 0 0 344.400 2.252 50 30 EEEARN Cc1cccc(OCC(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c1 ZINC000238961230 775702470 /nfs/dbraw/zinc/70/24/70/775702470.db2.gz YMEIZRKLQIHKIT-QGZVFWFLSA-N 0 0 337.379 2.320 50 30 EEEARN C=CCOc1cccc(CN(CC)C(=O)[C@@H]2CCCN2C(N)=O)c1 ZINC000055392888 214317163 /nfs/dbraw/zinc/31/71/63/214317163.db2.gz GPWNSCJTRGXEDV-INIZCTEOSA-N 0 0 331.416 2.143 50 30 EEEARN C=CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cc1OCC ZINC000055385261 214315583 /nfs/dbraw/zinc/31/55/83/214315583.db2.gz VZHQFGUHQSRYTR-YJBOKZPZSA-N 0 0 349.427 2.260 50 30 EEEARN Cc1cc2c3c(c1C)/C(=N\NC(N)=S)C(=O)N3C(C)(C)C=C2C ZINC000100096718 219090853 /nfs/dbraw/zinc/09/08/53/219090853.db2.gz NRXJILHUNQSVII-CPNJWEJPSA-N 0 0 328.441 2.383 50 30 EEEARN CC[C@@H](c1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o1)N(C)C ZINC000003332126 210009825 /nfs/dbraw/zinc/00/98/25/210009825.db2.gz DMDJTTAZDUTRCJ-XHDPSFHLSA-N 0 0 339.465 2.229 50 30 EEEARN N#CCOC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003329229 210009414 /nfs/dbraw/zinc/00/94/14/210009414.db2.gz NSZYFNRXZNTIDH-UHFFFAOYSA-N 0 0 342.376 2.118 50 30 EEEARN N#Cc1cc2c(ccn(Cc3ccccc3-n3cccn3)c2=O)nc1O ZINC000067872331 215237722 /nfs/dbraw/zinc/23/77/22/215237722.db2.gz HGLIIFCPIDFLLZ-UHFFFAOYSA-N 0 0 343.346 2.208 50 30 EEEARN CCCN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3C#N)CC[C@H]21 ZINC000072447292 216237121 /nfs/dbraw/zinc/23/71/21/216237121.db2.gz YDSXNEUTCLTKEA-DOTOQJQBSA-N 0 0 325.412 2.421 50 30 EEEARN COc1ccc(CN2CCN(CCCC#N)CC2)c(OC)c1OC ZINC000022808013 212327055 /nfs/dbraw/zinc/32/70/55/212327055.db2.gz ITOKWVWMYPIVBT-UHFFFAOYSA-N 0 0 333.432 2.134 50 30 EEEARN Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCCC2)n1 ZINC000021360571 212222485 /nfs/dbraw/zinc/22/24/85/212222485.db2.gz KHHDZTOQFSWRQK-UHFFFAOYSA-N 0 0 337.383 2.274 50 30 EEEARN C=CCc1c(OCC(=O)OCC)ccc2nc3n(c(=O)c21)CCC3 ZINC000020762752 212169899 /nfs/dbraw/zinc/16/98/99/212169899.db2.gz ULKLWRJWSMJUEW-UHFFFAOYSA-N 0 0 328.368 2.013 50 30 biogenic EEEARN N#Cc1ccc(N2CCCN(C(=S)NC3CCCC3)CC2)nc1 ZINC000020230476 212113601 /nfs/dbraw/zinc/11/36/01/212113601.db2.gz YPBLOTDOTAXESV-UHFFFAOYSA-N 0 0 329.473 2.282 50 30 EEEARN O=C1C=C(NC2=C[C@@H]3O[C@@H](c4ccccc4)OC[C@@H]3OC2=O)CCC1 ZINC000019924572 212084372 /nfs/dbraw/zinc/08/43/72/212084372.db2.gz WIDOMGFQDHPMIW-LNLFQRSKSA-N 0 0 341.363 2.136 50 30 EEEARN C=CCNC(=S)N(CCCN1CCOCC1)Cc1ccccc1 ZINC000019897844 212080751 /nfs/dbraw/zinc/08/07/51/212080751.db2.gz NSNZDVNDKWPDRS-UHFFFAOYSA-N 0 0 333.501 2.271 50 30 EEEARN C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc2c(c1)CCCC2 ZINC000012892257 211476798 /nfs/dbraw/zinc/47/67/98/211476798.db2.gz CHAIHLBMJBWCML-GFCCVEGCSA-N 0 0 338.411 2.008 50 30 EEEARN COc1ccc(NN=C2N=C(c3ccccc3)OC2=O)c(OC)c1 ZINC000012420026 211375240 /nfs/dbraw/zinc/37/52/40/211375240.db2.gz UEIWMOVKZRMTDL-HKWRFOASSA-N 0 0 325.324 2.433 50 30 EEEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000012136873 211301397 /nfs/dbraw/zinc/30/13/97/211301397.db2.gz DNABLONTCYBMCV-LBPRGKRZSA-N 0 0 349.368 2.482 50 30 EEEARN CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c1C#N ZINC000010711635 211187118 /nfs/dbraw/zinc/18/71/18/211187118.db2.gz HLVQHVWMNNJYPI-VIFPVBQESA-N 0 0 345.424 2.376 50 30 EEEARN C=CCNC(=O)Cn1cc(OC)c(=O)cc1CSc1ccccc1 ZINC000010255047 211157329 /nfs/dbraw/zinc/15/73/29/211157329.db2.gz FTNDTODNBYLRHT-UHFFFAOYSA-N 0 0 344.436 2.451 50 30 EEEARN Cc1ccc([C@@H](NC(=O)Cn2cnnc2C#N)c2cccs2)cc1 ZINC000008987219 211026768 /nfs/dbraw/zinc/02/67/68/211026768.db2.gz IIOPXVSTIMPXOX-QGZVFWFLSA-N 0 0 337.408 2.426 50 30 EEEARN COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C#N)C1 ZINC000095519293 218424872 /nfs/dbraw/zinc/42/48/72/218424872.db2.gz RVXXUQREVXHKKT-INIZCTEOSA-N 0 0 338.411 2.421 50 30 EEEARN CN1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](c2ccccc2)C1 ZINC000036385011 257854623 /nfs/dbraw/zinc/85/46/23/257854623.db2.gz HKAFZJHBXSYNKH-KRWDZBQOSA-N 0 0 341.436 2.236 50 30 EEEARN C=C(C)COc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1 ZINC000006624125 257927382 /nfs/dbraw/zinc/92/73/82/257927382.db2.gz KSSXMQJXJQNROB-UHFFFAOYSA-N 0 0 345.395 2.097 50 30 biogenic EEEARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccc(C#N)cc1 ZINC000012616977 258055084 /nfs/dbraw/zinc/05/50/84/258055084.db2.gz FKDOOFNXIJSGCS-OKILXGFUSA-N 0 0 330.384 2.270 50 30 EEEARN COc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100418177 286334624 /nfs/dbraw/zinc/33/46/24/286334624.db2.gz JNPHGJCWXCZFFW-ZDUSSCGKSA-N 0 0 342.395 2.413 50 30 EEEARN N#Cc1cnc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cn1 ZINC000123513946 222289383 /nfs/dbraw/zinc/28/93/83/222289383.db2.gz GTVXHMNYUTTZJC-INIZCTEOSA-N 0 0 343.818 2.487 50 30 EEEARN C=CCn1c(=S)[nH]n2c1c(C#N)c(-c1cccs1)c(C#N)c2=N ZINC000017173200 273487455 /nfs/dbraw/zinc/48/74/55/273487455.db2.gz HYXVZDGFAVLFTE-UHFFFAOYSA-O 0 0 339.429 2.151 50 30 EEEARN C=CC[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@]21O3 ZINC000000485849 276909010 /nfs/dbraw/zinc/90/90/10/276909010.db2.gz SWEOKISNCSPDIY-ZPFYTHJMSA-N 0 0 339.391 2.481 50 30 biogenic EEEARN COc1ccccc1-c1c(C#N)c(N)nc2c1c(=O)nc1sccn12 ZINC000019933096 295343983 /nfs/dbraw/zinc/34/39/83/295343983.db2.gz QAXNPILRDCAGLN-UHFFFAOYSA-N 0 0 349.375 2.434 50 30 EEEARN COc1ccc(S(=O)(=O)N(CC#N)Cc2ccco2)cc1OC ZINC000000170849 462545718 /nfs/dbraw/zinc/54/57/18/462545718.db2.gz BLKQDSMHWQPNJU-UHFFFAOYSA-N 0 0 336.369 2.011 50 30 EEEARN N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1 ZINC000002649320 462597969 /nfs/dbraw/zinc/59/79/69/462597969.db2.gz ANYZNTLMHLAWFO-UHFFFAOYSA-N 0 0 343.383 2.098 50 30 EEEARN N#Cc1c(NC(=O)c2noc3c2CCCCC3)nc2n1CCS2 ZINC000128015032 462602662 /nfs/dbraw/zinc/60/26/62/462602662.db2.gz ZAPISXNTUHLCSA-UHFFFAOYSA-N 0 0 329.385 2.370 50 30 EEEARN C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002875585 462606400 /nfs/dbraw/zinc/60/64/00/462606400.db2.gz RIFHKOWWHBGYCX-UHFFFAOYSA-N 0 0 348.399 2.323 50 30 EEEARN N#Cc1c(N)n(CCNC(=O)c2ccco2)c2nc3ccccc3nc12 ZINC000003267611 462614376 /nfs/dbraw/zinc/61/43/76/462614376.db2.gz FDAOSOJFIVFHPQ-UHFFFAOYSA-N 0 0 346.350 2.061 50 30 EEEARN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005158418 462647803 /nfs/dbraw/zinc/64/78/03/462647803.db2.gz WBKDQBSSRNRVGN-OCCSQVGLSA-N 0 0 336.351 2.252 50 30 biogenic EEEARN CCOC(=O)/N=C(\NC(=O)Nc1ccc(C(=O)OCC)cc1)OC ZINC000013116150 462886001 /nfs/dbraw/zinc/88/60/01/462886001.db2.gz GPWZKKSEIWIXPY-UHFFFAOYSA-N 0 0 337.332 2.144 50 30 EEEARN O=C1N/C(=N/S(=O)(=O)Cc2ccccc2)S/C1=C\c1ccco1 ZINC000013756854 462903377 /nfs/dbraw/zinc/90/33/77/462903377.db2.gz HJSNMHSIGOWCEJ-LCYFTJDESA-N 0 0 348.405 2.370 50 30 EEEARN N#Cc1ccc(NC(=O)COCC(=O)N2CCc3ccccc3C2)cc1 ZINC000013943765 462906100 /nfs/dbraw/zinc/90/61/00/462906100.db2.gz YKDBUQXXSPXLSG-UHFFFAOYSA-N 0 0 349.390 2.098 50 30 EEEARN N#Cc1cccc(NC(=O)Cn2cc(Br)ccc2=O)c1 ZINC000014736228 462931416 /nfs/dbraw/zinc/93/14/16/462931416.db2.gz JRCSJYZOAUPACE-UHFFFAOYSA-N 0 0 332.157 2.121 50 30 EEEARN CCCCc1nc(N2CCN(CCO)CC2)c(C#N)c2c1CCCC2 ZINC000020590922 463028830 /nfs/dbraw/zinc/02/88/30/463028830.db2.gz LJFXITNCZUIUIE-UHFFFAOYSA-N 0 0 342.487 2.289 50 30 EEEARN CCc1cc2c(ncnc2NCCCc2[nH]nc(N)c2C#N)s1 ZINC000024059149 463077812 /nfs/dbraw/zinc/07/78/12/463077812.db2.gz AXMQUECLQZFEIM-UHFFFAOYSA-N 0 0 327.417 2.475 50 30 EEEARN COc1ccccc1N1C[C@@H](C(=O)NCC#Cc2ccccc2)CC1=O ZINC000025583823 463130723 /nfs/dbraw/zinc/13/07/23/463130723.db2.gz IDGUTBOABXNHGA-KRWDZBQOSA-N 0 0 348.402 2.216 50 30 EEEARN C[C@H](Cc1ccco1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000028417676 463225681 /nfs/dbraw/zinc/22/56/81/463225681.db2.gz UNXSISGXIGRXPF-CQSZACIVSA-N 0 0 339.399 2.009 50 30 EEEARN CN1CCN(C(=O)COc2ccccc2C#N)[C@@H](c2ccccc2)C1 ZINC000030029168 463285985 /nfs/dbraw/zinc/28/59/85/463285985.db2.gz FRZFIIIUPBJETF-GOSISDBHSA-N 0 0 335.407 2.452 50 30 EEEARN C#CCn1c2ccc(OC)cc2s/c1=N/C(=O)c1cc(C)no1 ZINC000101135204 463376588 /nfs/dbraw/zinc/37/65/88/463376588.db2.gz YLNCUGILUONTJG-WUKNDPDISA-N 0 0 327.365 2.382 50 30 EEEARN CC(C)[C@](C)(C#N)NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000032859966 463399299 /nfs/dbraw/zinc/39/92/99/463399299.db2.gz PJRWATXBRMYCLM-SFHVURJKSA-N 0 0 329.400 2.247 50 30 EEEARN CC(=CC(O)=C(C#N)C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000103935231 463406716 /nfs/dbraw/zinc/40/67/16/463406716.db2.gz WDVKFNLOEGZCRE-GXIIQHASSA-N 0 0 330.359 2.233 50 30 EEEARN C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000014118416 518239163 /nfs/dbraw/zinc/23/91/63/518239163.db2.gz OFTKKNUYEADKHD-UHFFFAOYSA-N 0 0 332.429 2.475 50 30 EEEARN COc1ccccc1CC(=N)NOC(=O)c1ccc(OC)c(OC)c1 ZINC000004171326 524366528 /nfs/dbraw/zinc/36/65/28/524366528.db2.gz RDUXHEIFRMJTMH-UHFFFAOYSA-N 0 0 344.367 2.384 50 30 EEEARN COc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000003472037 524938143 /nfs/dbraw/zinc/93/81/43/524938143.db2.gz CNQFSOWUBRXENM-UHFFFAOYSA-N 0 0 340.335 2.128 50 30 EEEARN C[C@](C#N)(NC(=O)CNc1cc2c(cc1Cl)OCCO2)C1CC1 ZINC000029691097 525135966 /nfs/dbraw/zinc/13/59/66/525135966.db2.gz LBCNIJAEACAIFQ-MRXNPFEDSA-N 0 0 335.791 2.332 50 30 EEEARN N=C(NOC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000005568969 526808245 /nfs/dbraw/zinc/80/82/45/526808245.db2.gz MRJXAZNEVXXXIQ-UHFFFAOYSA-N 0 0 349.730 2.491 50 30 EEEARN Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2ccc(C#N)nc2)c1 ZINC000952972476 796111887 /nfs/dbraw/zinc/11/18/87/796111887.db2.gz DBSYWDLCAAFUNY-UHFFFAOYSA-N 0 0 337.383 2.014 50 30 EEEARN CN1c2ccsc2C(NNc2ccc(F)cc2)=CS1(=O)=O ZINC000004013705 210099800 /nfs/dbraw/zinc/09/98/00/210099800.db2.gz MAMWVCXSLGYIGA-LFIBNONCSA-N 0 0 325.390 2.483 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1 ZINC000102866389 219236431 /nfs/dbraw/zinc/23/64/31/219236431.db2.gz FBIOKSWIUSQVGO-DPEHCCBOSA-N 0 0 327.336 2.348 50 30 EEEARN C=CCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000067948038 215257843 /nfs/dbraw/zinc/25/78/43/215257843.db2.gz XFKXEYHUKZPZAR-OAHLLOKOSA-N 0 0 346.452 2.302 50 30 EEEARN CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1 ZINC000002770015 209908483 /nfs/dbraw/zinc/90/84/83/209908483.db2.gz ZMFJYXLIODOJJV-OQLLNIDSSA-N 0 0 337.426 2.327 50 30 EEEARN C=CCn1c(=O)c2c(ncn2C(C)C)n(-c2cccc(OC)c2)c1=O ZINC000037560150 213157012 /nfs/dbraw/zinc/15/70/12/213157012.db2.gz VTHCATSAEYPKSV-UHFFFAOYSA-N 0 0 340.383 2.124 50 30 EEEARN CCOC(=O)N1CCN(c2nc(N(CC)CC)cc(C)c2C#N)CC1 ZINC000071280399 215751133 /nfs/dbraw/zinc/75/11/33/215751133.db2.gz UJEUSNOZMWASSM-UHFFFAOYSA-N 0 0 345.447 2.386 50 30 EEEARN N#Cc1ccc(N2CC[C@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 ZINC000114749396 237179259 /nfs/dbraw/zinc/17/92/59/237179259.db2.gz TYXKMAJIPVOOTN-INIZCTEOSA-N 0 0 348.362 2.107 50 30 EEEARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1 ZINC000024528721 212424535 /nfs/dbraw/zinc/42/45/35/212424535.db2.gz MRCCNFAVDLKJIG-CYBMUJFWSA-N 0 0 349.394 2.153 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000016606771 211919108 /nfs/dbraw/zinc/91/91/08/211919108.db2.gz LPGQXNYRZOXPBP-KBPBESRZSA-N 0 0 336.457 2.269 50 30 EEEARN COc1ccc(CN2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 ZINC000013735237 211625657 /nfs/dbraw/zinc/62/56/57/211625657.db2.gz OWGLRKHFNVLXIX-UHFFFAOYSA-N 0 0 329.425 2.481 50 30 EEEARN C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000012421457 211374671 /nfs/dbraw/zinc/37/46/71/211374671.db2.gz KJIFNSITQOVFSQ-VQIMIIECSA-N 0 0 334.435 2.127 50 30 EEEARN CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1cccc(C#N)c1 ZINC000011201807 211207034 /nfs/dbraw/zinc/20/70/34/211207034.db2.gz LTQWUJLFSRCGQA-MRXNPFEDSA-N 0 0 343.383 2.108 50 30 EEEARN C#C[C@](C)(CC)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000000033787 208551814 /nfs/dbraw/zinc/55/18/14/208551814.db2.gz DDXBVUCDFHMRFN-GOSISDBHSA-N 0 0 342.420 2.267 50 30 EEEARN C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O ZINC000004783713 210276539 /nfs/dbraw/zinc/27/65/39/210276539.db2.gz NLXFVFUUURHGAH-GFCCVEGCSA-N 0 0 349.368 2.482 50 30 EEEARN COC(=O)c1cc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c(C)o1 ZINC000071776457 277418367 /nfs/dbraw/zinc/41/83/67/277418367.db2.gz BABAVNNUMBPFTE-SNVBAGLBSA-N 0 0 327.340 2.394 50 30 EEEARN COc1ccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1O ZINC000012390756 295228736 /nfs/dbraw/zinc/22/87/36/295228736.db2.gz XELFOJPONNVDSM-AWEZNQCLSA-N 0 0 328.328 2.370 50 30 EEEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(OC)cc2)C1=O ZINC000000301698 462553706 /nfs/dbraw/zinc/55/37/06/462553706.db2.gz FQEGTMPPWZJHSU-FQEVSTJZSA-N 0 0 335.359 2.136 50 30 EEEARN COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000000381125 462558081 /nfs/dbraw/zinc/55/80/81/462558081.db2.gz ZZYZZVGEHAGCKI-GDBMZVCRSA-N 0 0 331.368 2.159 50 30 EEEARN Cn1ncc(C#N)c1NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000001126217 462577282 /nfs/dbraw/zinc/57/72/82/462577282.db2.gz DFBJMPDGAASCPO-LBPRGKRZSA-N 0 0 347.737 2.216 50 30 EEEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/[C@@H]2CCS(=O)(=O)C2)o1 ZINC000001103189 462578145 /nfs/dbraw/zinc/57/81/45/462578145.db2.gz QOGIMXDROXUXQT-LKBVRNOZSA-N 0 0 334.353 2.461 50 30 EEEARN O=C(CC1=[N+]([O-])[C@H]2CCCC[C@@H]2N(O)C1=O)c1ccc(Cl)cc1 ZINC000001406005 462581463 /nfs/dbraw/zinc/58/14/63/462581463.db2.gz NFWXVEMFRLRWKR-STQMWFEESA-N 0 0 336.775 2.407 50 30 EEEARN CCCNC(=O)c1c(/N=C/c2cccc(OC)c2OC)cnn1C ZINC000002797766 462603362 /nfs/dbraw/zinc/60/33/62/462603362.db2.gz HXRIZZVLWJJAPD-VXLYETTFSA-N 0 0 330.388 2.328 50 30 EEEARN CCc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1 ZINC000002841343 462604566 /nfs/dbraw/zinc/60/45/66/462604566.db2.gz WMUDFPAGXJKHJO-UHFFFAOYSA-N 0 0 331.349 2.166 50 30 EEEARN COc1ccc(C=NN2C(=S)N=NC2c2cc(C)[nH]n2)c(OC)c1 ZINC000005625928 462665002 /nfs/dbraw/zinc/66/50/02/462665002.db2.gz ZHGAFGQXBMCZMA-LZYBPNLTSA-N 0 0 344.400 2.165 50 30 EEEARN O=C(C1=C(O)C(=O)OC12C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000005687411 462667065 /nfs/dbraw/zinc/66/70/65/462667065.db2.gz ORSDKNKKKPLOLU-UHFFFAOYSA-N 0 0 334.283 2.056 50 30 EEEARN N#Cc1ccsc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O ZINC000008253040 462774958 /nfs/dbraw/zinc/77/49/58/462774958.db2.gz JWAFOJTWOAQLRV-UHFFFAOYSA-N 0 0 331.397 2.268 50 30 EEEARN O=C(NCC#CCOc1ccc2c(c1)OCO2)NCc1cccs1 ZINC000090730947 462808700 /nfs/dbraw/zinc/80/87/00/462808700.db2.gz LMHOKJNTRKEZBX-UHFFFAOYSA-N 0 0 344.392 2.358 50 30 EEEARN CCOc1ncccc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000011480356 462832582 /nfs/dbraw/zinc/83/25/82/462832582.db2.gz GAOMEPUWPIQOBL-CYBMUJFWSA-N 0 0 345.399 2.368 50 30 EEEARN C/N=C1/S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1C ZINC000013881382 462905315 /nfs/dbraw/zinc/90/53/15/462905315.db2.gz OWKDJZWQDAGOBX-XVZOTVTFSA-N 0 0 331.441 2.364 50 30 EEEARN COc1cccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000016600689 462983089 /nfs/dbraw/zinc/98/30/89/462983089.db2.gz SRZIRROEEWKKCW-UHFFFAOYSA-N 0 0 339.395 2.121 50 30 EEEARN CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2CC(N)=O ZINC000018066071 463005796 /nfs/dbraw/zinc/00/57/96/463005796.db2.gz FFPCTLSZIVPMCO-QGZVFWFLSA-N 0 0 346.456 2.131 50 30 EEEARN Cc1nc(CN2CCN(c3nnc(C)c(C)c3C#N)CC2)cs1 ZINC000029441221 463257387 /nfs/dbraw/zinc/25/73/87/463257387.db2.gz VQFSFIFXFWKUGL-UHFFFAOYSA-N 0 0 328.445 2.052 50 30 EEEARN CC(C)C1=CC(=O)[C@](C)(O)[C@H]2[C@@H]1[C@@H]1C(=O)[C@](C)(O)[C@H]2C=C1C(C)C ZINC000098214408 463371393 /nfs/dbraw/zinc/37/13/93/463371393.db2.gz YNYHPBIGKWCFOA-GNNUITGDSA-N 0 0 332.440 2.297 50 30 endogenous EEEARN C=C(Br)CNC(=O)[C@H]1CSCN1C(=O)/C(C)=C/CC ZINC000101395633 463377808 /nfs/dbraw/zinc/37/78/08/463377808.db2.gz REIZJTDFMBEFIC-FZPLPXEFSA-N 0 0 347.278 2.269 50 30 EEEARN CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000032797058 463395599 /nfs/dbraw/zinc/39/55/99/463395599.db2.gz GKRIPBLKSGVFKA-UHFFFAOYSA-N 0 0 326.312 2.337 50 30 EEEARN CCN(CC)C(=O)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000032925702 463403552 /nfs/dbraw/zinc/40/35/52/463403552.db2.gz GSLTXINPRAJQMB-LBPRGKRZSA-N 0 0 342.399 2.237 50 30 EEEARN C#CCOc1ccc(Br)cc1/C=N/NC(=S)NCC ZINC000043190610 463628068 /nfs/dbraw/zinc/62/80/68/463628068.db2.gz KZCMZNPGOAQJSU-CXUHLZMHSA-N 0 0 340.246 2.279 50 30 EEEARN C=CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604418804 469477789 /nfs/dbraw/zinc/47/77/89/469477789.db2.gz GZRORUPSUHQUER-SFHVURJKSA-N 0 0 347.374 2.104 50 30 EEEARN N#Cc1nccnc1N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000670467113 485653134 /nfs/dbraw/zinc/65/31/34/485653134.db2.gz ZXVGPHHBGLVUQF-ZDUSSCGKSA-N 0 0 333.355 2.177 50 30 EEEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 ZINC000010524326 519012859 /nfs/dbraw/zinc/01/28/59/519012859.db2.gz JINNWMFEWZJTOC-PYUISTEWSA-N 0 0 345.395 2.103 50 30 EEEARN CCOc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1O ZINC000018106232 521314816 /nfs/dbraw/zinc/31/48/16/521314816.db2.gz XHTITEXGXBUVDF-XSFVSMFZSA-N 0 0 326.400 2.342 50 30 EEEARN COc1ccc(C(=N)NOC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004725390 523371357 /nfs/dbraw/zinc/37/13/57/523371357.db2.gz DUXJWQWXZRQBIK-UHFFFAOYSA-N 0 0 345.311 2.089 50 30 EEEARN N=C(NN=Cc1ccco1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000015961611 526825467 /nfs/dbraw/zinc/82/54/67/526825467.db2.gz AWANKLNKBFFQQV-HVOBPNNYSA-N 0 0 342.380 2.203 50 30 EEEARN CN(C)/C=N/c1c(C#N)n(Cc2ccccc2)cc1S(C)(=O)=O ZINC000826802826 800420817 /nfs/dbraw/zinc/42/08/17/800420817.db2.gz HZNIXZGEPZSRSK-LDADJPATSA-N 0 0 330.413 2.033 50 30 EEEARN N#Cc1ccsc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000052035931 214114135 /nfs/dbraw/zinc/11/41/35/214114135.db2.gz DOZOQAGKMUQBEY-UHFFFAOYSA-N 0 0 327.413 2.177 50 30 EEEARN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000036784496 213119116 /nfs/dbraw/zinc/11/91/16/213119116.db2.gz HRUCQSQIONJSOK-IBGZPJMESA-N 0 0 330.347 2.397 50 30 EEEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000036784497 213118229 /nfs/dbraw/zinc/11/82/29/213118229.db2.gz HRUCQSQIONJSOK-LJQANCHMSA-N 0 0 330.347 2.397 50 30 EEEARN C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000036390060 213094683 /nfs/dbraw/zinc/09/46/83/213094683.db2.gz XIOFORDSZYDHPS-NWDGAFQWSA-N 0 0 333.457 2.404 50 30 EEEARN N#Cc1c(N)nc(-c2ccccc2OCC(N)=O)cc1-c1cccnc1 ZINC000071750964 215807230 /nfs/dbraw/zinc/80/72/30/215807230.db2.gz SMDUISYSJMIUGJ-UHFFFAOYSA-N 0 0 345.362 2.129 50 30 EEEARN N#Cc1ccc(N2CC[C@@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 ZINC000114749399 237180671 /nfs/dbraw/zinc/18/06/71/237180671.db2.gz TYXKMAJIPVOOTN-MRXNPFEDSA-N 0 0 348.362 2.107 50 30 EEEARN N#Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 ZINC000072333958 216156241 /nfs/dbraw/zinc/15/62/41/216156241.db2.gz JYLVUNWSFDIKNZ-UHFFFAOYSA-N 0 0 330.290 2.310 50 30 EEEARN CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n[nH]c1=O ZINC000014249084 211722956 /nfs/dbraw/zinc/72/29/56/211722956.db2.gz OSMCIXZGJUNQTQ-NSHDSACASA-N 0 0 345.428 2.362 50 30 EEEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(F)c1 ZINC000010101649 211149113 /nfs/dbraw/zinc/14/91/13/211149113.db2.gz XPDFBIPABHHJIM-UHFFFAOYSA-N 0 0 341.386 2.294 50 30 EEEARN CN(C)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000008844124 211010929 /nfs/dbraw/zinc/01/09/29/211010929.db2.gz XDOUJQCBIIOBNY-UHFFFAOYSA-N 0 0 333.395 2.346 50 30 EEEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CSCC3=O)sc2C1 ZINC000007718911 210837404 /nfs/dbraw/zinc/83/74/04/210837404.db2.gz LDKWDMNHEMSYGY-VIFPVBQESA-N 0 0 335.454 2.216 50 30 EEEARN O=C1c2ccccc2C2=C1[C@H](c1ccsc1)c1c(=O)[nH]c(=O)[nH]c1N2 ZINC000018201180 285023413 /nfs/dbraw/zinc/02/34/13/285023413.db2.gz DDYLNPMYXUJLLG-NSHDSACASA-N 0 0 349.371 2.290 50 30 EEEARN N=C(NOS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1 ZINC000005020920 210365709 /nfs/dbraw/zinc/36/57/09/210365709.db2.gz JPQGUBYOGIXTQV-UHFFFAOYSA-N 0 0 327.365 2.261 50 30 EEEARN O=C1Nc2ccc(Cl)cc2/C1=N\N1C(=O)c2ccccc2C1=O ZINC000000444884 296399989 /nfs/dbraw/zinc/39/99/89/296399989.db2.gz BUDQAVPMTKHUNB-UHFFFAOYSA-N 0 0 325.711 2.292 50 30 EEEARN Cc1ccn2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)nc2c1 ZINC000020637464 158869885 /nfs/dbraw/zinc/86/98/85/158869885.db2.gz JWDPUVAPYXZUKN-UHFFFAOYSA-N 0 0 345.406 2.477 50 30 EEEARN CC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000082097701 276953809 /nfs/dbraw/zinc/95/38/09/276953809.db2.gz JHXYWCUAQIODCL-GOSISDBHSA-N 0 0 333.391 2.365 50 30 EEEARN Cc1ccc2[nH]c3c(ncn(/N=C/c4ccc(O)cc4O)c3=O)c2c1 ZINC000000500512 462567581 /nfs/dbraw/zinc/56/75/81/462567581.db2.gz CMVLLCPMJAPFNU-DNTJNYDQSA-N 0 0 334.335 2.480 50 30 EEEARN O=C(CC1=[N+]([O-])[C@H]2CCCC[C@H]2N(O)C1=O)c1ccc(Cl)cc1 ZINC000001406002 462581037 /nfs/dbraw/zinc/58/10/37/462581037.db2.gz NFWXVEMFRLRWKR-QWHCGFSZSA-N 0 0 336.775 2.407 50 30 EEEARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C#N)cc2)c1 ZINC000003474519 462619801 /nfs/dbraw/zinc/61/98/01/462619801.db2.gz AMBXKPWYIJXTGM-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN Cc1cc(C)n(-c2nc(C)cc(N=NCc3ccc(O)cc3O)n2)n1 ZINC000004550634 462634403 /nfs/dbraw/zinc/63/44/03/462634403.db2.gz IBIWUMVGOCJHSB-GIJQJNRQSA-N 0 0 338.371 2.445 50 30 EEEARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc(Cl)c1O ZINC000005853599 462671188 /nfs/dbraw/zinc/67/11/88/462671188.db2.gz IWIRAPRROYTNEH-LBPRGKRZSA-N 0 0 326.805 2.436 50 30 EEEARN C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000007463296 462737419 /nfs/dbraw/zinc/73/74/19/462737419.db2.gz OWHWLYFZCOFVMI-CZUORRHYSA-N 0 0 333.384 2.092 50 30 EEEARN Cc1ccc(F)c(CN2CCN(c3nccnc3C#N)CC2)c1F ZINC000065433985 462769667 /nfs/dbraw/zinc/76/96/67/462769667.db2.gz XAKGRLFMJXUCTK-UHFFFAOYSA-N 0 0 329.354 2.257 50 30 EEEARN O=C1c2ccccc2C2=Nc3nnnn3[C@@H](c3ccc4c(c3)OCO4)C12 ZINC000018196121 463009964 /nfs/dbraw/zinc/00/99/64/463009964.db2.gz HEEIQLYVENBDAZ-INIZCTEOSA-N 0 0 345.318 2.024 50 30 EEEARN COc1ccc(C(=O)N=C(N)NCCc2c[nH]c3ccccc23)cc1 ZINC000019727711 463020139 /nfs/dbraw/zinc/02/01/39/463020139.db2.gz PVOYYGXWGYNBER-UHFFFAOYSA-N 0 0 336.395 2.464 50 30 EEEARN COc1ccccc1N1CCN(/N=C\c2ccc(O)cc2O)CC1 ZINC000019866405 463022209 /nfs/dbraw/zinc/02/22/09/463022209.db2.gz QFNLESLCVYNXDI-UYRXBGFRSA-N 0 0 327.384 2.263 50 30 EEEARN COC(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(C#N)cc1 ZINC000025179280 463113097 /nfs/dbraw/zinc/11/30/97/463113097.db2.gz YFBTVGUYEKJGET-UHFFFAOYSA-N 0 0 336.347 2.313 50 30 EEEARN COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000102771139 463390899 /nfs/dbraw/zinc/39/08/99/463390899.db2.gz KHKUZNBXTPZGTO-JOZWUWCOSA-N 0 0 349.346 2.229 50 30 EEEARN CS(=O)(=O)Cc1cccc(C(=O)NCC#Cc2ccccc2)c1 ZINC000032899032 463400982 /nfs/dbraw/zinc/40/09/82/463400982.db2.gz RMFHKPNMRYYWLV-UHFFFAOYSA-N 0 0 327.405 2.013 50 30 EEEARN N#C[C@H](C(=O)CCc1nc2ccccc2[nH]1)C(=O)Nc1ccccn1 ZINC000104055789 463407862 /nfs/dbraw/zinc/40/78/62/463407862.db2.gz VCZQQDFPSOQDHN-GFCCVEGCSA-N 0 0 333.351 2.238 50 30 EEEARN C#CCOc1ccc(/C=C2\C(=O)N(C)C(=S)N2C)cc1OCC ZINC000033673332 463423745 /nfs/dbraw/zinc/42/37/45/463423745.db2.gz XCQQQQPZSSTFLL-JLHYYAGUSA-N 0 0 330.409 2.127 50 30 EEEARN C=CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082109711 463515588 /nfs/dbraw/zinc/51/55/88/463515588.db2.gz NOPQKBCVGFFFDS-LJQANCHMSA-N 0 0 344.459 2.150 50 30 EEEARN Cc1cccc(N(CCC#N)C(=O)Cn2cnc(C#N)c2C#N)c1C ZINC000126114510 463606756 /nfs/dbraw/zinc/60/67/56/463606756.db2.gz PMWFTBNYNPIIES-UHFFFAOYSA-N 0 0 332.367 2.190 50 30 EEEARN Cc1cccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000238826134 464438371 /nfs/dbraw/zinc/43/83/71/464438371.db2.gz DUJHQILNAUBGGZ-HNNXBMFYSA-N 0 0 343.408 2.104 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC000575612229 468148575 /nfs/dbraw/zinc/14/85/75/468148575.db2.gz JWLYIPWDTOEQPF-INIZCTEOSA-N 0 0 343.408 2.185 50 30 EEEARN C#C[C@@](C)(CC)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000000384691 518352600 /nfs/dbraw/zinc/35/26/00/518352600.db2.gz QIIISPVHZLJUBC-AWEZNQCLSA-N 0 0 331.821 2.437 50 30 EEEARN C=CCOc1ccccc1NC(=O)N1CCN(CCOCC)CC1 ZINC000096152578 526952432 /nfs/dbraw/zinc/95/24/32/526952432.db2.gz NXFKPCNQECQEHU-UHFFFAOYSA-N 0 0 333.432 2.437 50 30 EEEARN Cc1ccc(OCCCNC(=O)CN(C)c2ccc(C#N)cn2)cc1 ZINC000058407452 214576650 /nfs/dbraw/zinc/57/66/50/214576650.db2.gz LGZSJBPTELHUKG-UHFFFAOYSA-N 0 0 338.411 2.283 50 30 EEEARN COC(=O)[C@H]1C(=O)C(=CNc2ccc(OC)cc2)C(=O)CC1(C)C ZINC000100318943 219097050 /nfs/dbraw/zinc/09/70/50/219097050.db2.gz VBTRBPYMJUEVAN-NRMKIYEFSA-N 0 0 331.368 2.348 50 30 EEEARN COc1ccc2occ(C=Nc3cc(=O)[nH]c(=S)[nH]3)c(=O)c2c1 ZINC000101271621 219120826 /nfs/dbraw/zinc/12/08/26/219120826.db2.gz JGNGTBBFUONGAH-OMCISZLKSA-N 0 0 329.337 2.298 50 30 EEEARN CCOC(=O)c1sc(NC(=O)c2cn(C)nc2OC)c(C#N)c1C ZINC000036686027 213109791 /nfs/dbraw/zinc/10/97/91/213109791.db2.gz POIIWLVOICJPEK-UHFFFAOYSA-N 0 0 348.384 2.099 50 30 EEEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC[C@H]1CCCO1 ZINC000029161622 212654829 /nfs/dbraw/zinc/65/48/29/212654829.db2.gz JYKLPHOINAMVGR-NEPJUHHUSA-N 0 0 326.356 2.001 50 30 EEEARN COc1ccc([C@H](Nc2ccnc(OC)c2C#N)[C@H]2C[C@@H](O)C2)cn1 ZINC000220041904 241426072 /nfs/dbraw/zinc/42/60/72/241426072.db2.gz NYCWUHALWNVEGV-DCGLDWPTSA-N 0 0 340.383 2.290 50 30 EEEARN CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000012438300 211381361 /nfs/dbraw/zinc/38/13/61/211381361.db2.gz FDOYTASPLREELF-RJQXTMFTSA-N 0 0 338.863 2.430 50 30 EEEARN COc1cc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)ccc1O ZINC000012407635 211370487 /nfs/dbraw/zinc/37/04/87/211370487.db2.gz OAFVFKPTVKGQND-AWEZNQCLSA-N 0 0 328.328 2.370 50 30 EEEARN COCCc1noc([C@H](C)NC(=O)Nc2ccc(OC)c(C#N)c2)n1 ZINC000096130392 218616333 /nfs/dbraw/zinc/61/63/33/218616333.db2.gz PNLLRTHUECZKLQ-JTQLQIEISA-N 0 0 345.359 2.021 50 30 EEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000006742536 210697190 /nfs/dbraw/zinc/69/71/90/210697190.db2.gz SUUGHUHYGYVKBA-UHFFFAOYSA-N 0 0 336.438 2.394 50 30 EEEARN CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000005342409 210444096 /nfs/dbraw/zinc/44/40/96/210444096.db2.gz LBDWQOGLKVUGDZ-FJOSAAFMSA-N 0 0 338.454 2.088 50 30 EEEARN COC(=O)c1ccccc1NC(=O)CSc1ncccc1C#N ZINC000007051596 208575794 /nfs/dbraw/zinc/57/57/94/208575794.db2.gz VRGUTUXODGOVCF-UHFFFAOYSA-N 0 0 327.365 2.471 50 30 EEEARN C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 ZINC000004845055 210297891 /nfs/dbraw/zinc/29/78/91/210297891.db2.gz ZAGVHGVFZBMMND-INIZCTEOSA-N 0 0 346.383 2.069 50 30 EEEARN C=CCOc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 ZINC000012343900 258017024 /nfs/dbraw/zinc/01/70/24/258017024.db2.gz ICIHPSAUFQOLKM-UHFFFAOYSA-N 0 0 341.415 2.354 50 30 EEEARN N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cn1 ZINC000299794026 258099197 /nfs/dbraw/zinc/09/91/97/258099197.db2.gz HXDSCPNYGMAAMC-KRWDZBQOSA-N 0 0 336.399 2.134 50 30 EEEARN C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(C#N)cc1 ZINC000026127133 286998531 /nfs/dbraw/zinc/99/85/31/286998531.db2.gz WAQIISDQRLUUQD-LLVKDONJSA-N 0 0 335.363 2.257 50 30 EEEARN COC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005009283 277433166 /nfs/dbraw/zinc/43/31/66/277433166.db2.gz RPEBSDUWYONRDM-UHFFFAOYSA-N 0 0 348.362 2.066 50 30 EEEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1cccnc1 ZINC000000384255 279531254 /nfs/dbraw/zinc/53/12/54/279531254.db2.gz VYKBVAGHTAOYHO-HZMBPMFUSA-N 0 0 328.368 2.182 50 30 EEEARN Cc1ccc(S(=O)(=O)NCC/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000002475254 462594215 /nfs/dbraw/zinc/59/42/15/462594215.db2.gz HSBBMRSMTSZOJX-WOJGMQOQSA-N 0 0 346.408 2.121 50 30 EEEARN COC(=O)CCCC=C1SC[C@@H](NC(=O)c2ccccc2)C1=O ZINC000002896924 462606620 /nfs/dbraw/zinc/60/66/20/462606620.db2.gz REWMSZNKXQXWJY-CKXDQPNJSA-N 0 0 333.409 2.328 50 30 EEEARN Cc1cc(C2N=NC(=S)N2N=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000005625923 462665634 /nfs/dbraw/zinc/66/56/34/462665634.db2.gz VMIVQSLNJYZMRF-CXUHLZMHSA-N 0 0 327.417 2.214 50 30 EEEARN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccco2)CC1 ZINC000006669456 462696311 /nfs/dbraw/zinc/69/63/11/462696311.db2.gz IHSPJDOLVSVABX-UHFFFAOYSA-N 0 0 338.323 2.362 50 30 EEEARN CN(CCC#N)C(=O)COC(=O)CSc1ccc(Cl)cc1 ZINC000007737780 462748534 /nfs/dbraw/zinc/74/85/34/462748534.db2.gz GSIYNQDEZQAIBR-UHFFFAOYSA-N 0 0 326.805 2.347 50 30 EEEARN C=CCNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000007980858 462760847 /nfs/dbraw/zinc/76/08/47/462760847.db2.gz HJYLKOZKFKPTPO-UHFFFAOYSA-N 0 0 335.385 2.148 50 30 EEEARN C=CCNC(=O)NC(=O)CSc1nnc(C)n1C1CCCCC1 ZINC000010014712 462810451 /nfs/dbraw/zinc/81/04/51/462810451.db2.gz DRCWTBZWHKTMMJ-UHFFFAOYSA-N 0 0 337.449 2.196 50 30 EEEARN COc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc1[N+](=O)[O-] ZINC000013125228 462886116 /nfs/dbraw/zinc/88/61/16/462886116.db2.gz YGDSIJNGFLQBME-CQSZACIVSA-N 0 0 329.316 2.073 50 30 EEEARN CN1CCN(/C(=N/c2ccccc2)NC(=O)c2ccc(F)cc2)CC1 ZINC000015729134 462961175 /nfs/dbraw/zinc/96/11/75/462961175.db2.gz ZAKJMUDFRRESLH-UHFFFAOYSA-N 0 0 340.402 2.491 50 30 EEEARN C/N=C1/S/C(=C\c2ccc(I)o2)C(=O)N1C ZINC000015745658 462962115 /nfs/dbraw/zinc/96/21/15/462962115.db2.gz SBQVANKQMFIJJP-DWXOBNSKSA-N 0 0 348.165 2.416 50 30 EEEARN C=CCN(c1nc2nc(C)cc(C)n2n1)S(=O)(=O)c1ccccc1 ZINC000015860884 462965914 /nfs/dbraw/zinc/96/59/14/462965914.db2.gz HUXAKGPNIATBDI-UHFFFAOYSA-N 0 0 343.412 2.122 50 30 EEEARN CCN(N=Cc1ccc(Cl)c(Cl)c1)c1cc(=O)n(C)c(=O)[nH]1 ZINC000018272266 463010761 /nfs/dbraw/zinc/01/07/61/463010761.db2.gz GABYFHAXTHKKKZ-CAOOACKPSA-N 0 0 341.198 2.241 50 30 EEEARN CN(C)c1ccc(C=NNc2cn[nH]c(=O)c2Br)cc1 ZINC000096300394 463234370 /nfs/dbraw/zinc/23/43/70/463234370.db2.gz JUNKVTAHROYPFO-CHHVJCJISA-N 0 0 336.193 2.044 50 30 EEEARN N#Cc1ccccc1COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000101246802 463377389 /nfs/dbraw/zinc/37/73/89/463377389.db2.gz VQSSAGUXEBQMPU-QGZVFWFLSA-N 0 0 348.358 2.120 50 30 EEEARN C=CCNC(=O)[C@H](C)OC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000032850602 463398508 /nfs/dbraw/zinc/39/85/08/463398508.db2.gz URGODYGPCALARA-LBPRGKRZSA-N 0 0 347.802 2.432 50 30 EEEARN C=CCCC(=O)N[C@H]1CC[C@@H](n2cc(C(=O)N(CC)CC)nn2)CC1 ZINC000244874738 464464825 /nfs/dbraw/zinc/46/48/25/464464825.db2.gz XGJKLLYHZUWPLI-GASCZTMLSA-N 0 0 347.463 2.326 50 30 EEEARN C=CCn1c(N)nnc1S[C@H](C(=O)NC(C)C)c1ccccc1 ZINC000031655903 519195595 /nfs/dbraw/zinc/19/55/95/519195595.db2.gz VUMLIOFHFFYAFP-ZDUSSCGKSA-N 0 0 331.445 2.404 50 30 EEEARN C=CCn1cc(CNCC(=O)Nc2cc(C)ccc2OC)c(C)n1 ZINC000055255360 519280100 /nfs/dbraw/zinc/28/01/00/519280100.db2.gz PKHLSTDQVQROKV-UHFFFAOYSA-N 0 0 328.416 2.423 50 30 EEEARN C=CCn1cnn(CN(C)Cc2ccc3c(c2)OCCO3)c1=S ZINC000014189743 519284889 /nfs/dbraw/zinc/28/48/89/519284889.db2.gz SHOHFVYJKCCKMS-UHFFFAOYSA-N 0 0 332.429 2.461 50 30 EEEARN COc1ccc(C(=N)NOC(=O)COc2ccccc2C)cc1OC ZINC000004318684 523365986 /nfs/dbraw/zinc/36/59/86/523365986.db2.gz VMIJHFNMLKIEFL-UHFFFAOYSA-N 0 0 344.367 2.255 50 30 EEEARN COc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(O)c1 ZINC000022123532 523772579 /nfs/dbraw/zinc/77/25/79/523772579.db2.gz FTBXUMDEZMVEEK-PIGZYNQJSA-N 0 0 334.372 2.001 50 30 EEEARN COc1ccc(CCNC(=O)[C@H](C)ON=C(N)c2ccccc2)cc1 ZINC000021700801 523966906 /nfs/dbraw/zinc/96/69/06/523966906.db2.gz IZYYRYSGIHAFCD-AWEZNQCLSA-N 0 0 341.411 2.080 50 30 EEEARN C[C@@H](C(=O)[O-])[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001889290 524300589 /nfs/dbraw/zinc/30/05/89/524300589.db2.gz BYJAGIXHOZUBME-QMMMGPOBSA-O 0 0 329.163 2.006 50 30 EEEARN N#CC1(NC(=O)COC(=O)c2n[nH]c3ccccc32)CCCCC1 ZINC000005360720 526437498 /nfs/dbraw/zinc/43/74/98/526437498.db2.gz IOWPJYNWFZURQV-UHFFFAOYSA-N 0 0 326.356 2.062 50 30 EEEARN CC(=O)NCCC(=O)N1/C(=N/CCc2ccccc2)SCC1(C)C ZINC000007780596 1205599551 /nfs/dbraw/zinc/59/95/51/1205599551.db2.gz VDKUNVCCJNWVKL-JZJYNLBNSA-N 0 0 347.484 2.465 50 30 EEEARN CSC(=N)N/N=C/c1cc(C)cc(/C=N/NC(=N)SC)c1O ZINC000004738451 210263654 /nfs/dbraw/zinc/26/36/54/210263654.db2.gz QEGDHORQKNFIOW-KGMKFKQSSA-N 0 0 338.462 2.143 50 30 EEEARN COC(=O)[C@@H]1C(=O)C(=CNc2ccc(OC)cc2)C(=O)CC1(C)C ZINC000100318946 219096735 /nfs/dbraw/zinc/09/67/35/219096735.db2.gz VBTRBPYMJUEVAN-VOMSXAGXSA-N 0 0 331.368 2.348 50 30 EEEARN CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)c1csc(N)n1 ZINC000004336733 210173987 /nfs/dbraw/zinc/17/39/87/210173987.db2.gz JTMUNRRLQAWNLH-UYRXBGFRSA-N 0 0 332.385 2.307 50 30 EEEARN N#Cc1cccnc1N1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000067920507 215249328 /nfs/dbraw/zinc/24/93/28/215249328.db2.gz CXMIKVIEOCGWDG-UHFFFAOYSA-N 0 0 344.422 2.393 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(O)c1 ZINC000104201288 219359117 /nfs/dbraw/zinc/35/91/17/219359117.db2.gz CFHRCFLSTLMAMJ-DPEHCCBOSA-N 0 0 343.335 2.053 50 30 EEEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 ZINC000104201291 219359849 /nfs/dbraw/zinc/35/98/49/219359849.db2.gz CFHRCFLSTLMAMJ-IDTYTIONSA-N 0 0 343.335 2.053 50 30 EEEARN N#Cc1cc2c(nc3ccccn3c2=O)n(Cc2ccc(F)cc2)c1=N ZINC000101067598 283118350 /nfs/dbraw/zinc/11/83/50/283118350.db2.gz SMHXYFIZWPLGAH-UHFFFAOYSA-N 0 0 345.337 2.188 50 30 EEEARN CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000110625255 220050584 /nfs/dbraw/zinc/05/05/84/220050584.db2.gz KUWDMGVAUOUFQR-ZWNOBZJWSA-N 0 0 328.821 2.400 50 30 EEEARN CC1(C)OC(=O)C(N=Nc2ccc(Br)cc2)C(=O)O1 ZINC000008829235 211009118 /nfs/dbraw/zinc/00/91/18/211009118.db2.gz VUFGWXHBVMTEEL-UHFFFAOYSA-N 0 0 327.134 2.053 50 30 EEEARN C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 ZINC000005437574 210463095 /nfs/dbraw/zinc/46/30/95/210463095.db2.gz ACBTVJVIWCCPIC-UHFFFAOYSA-N 0 0 342.424 2.168 50 30 EEEARN C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(N)cc1 ZINC000005074053 210384942 /nfs/dbraw/zinc/38/49/42/210384942.db2.gz JNFSMJSAMDPVSY-GZTJUZNOSA-N 0 0 348.384 2.188 50 30 EEEARN CCOc1ccc(NC(=O)NCc2cc(COC)n[nH]2)cc1C#N ZINC000096164548 263986659 /nfs/dbraw/zinc/98/66/59/263986659.db2.gz AHKSGADUKSPWQS-UHFFFAOYSA-N 0 0 329.360 2.148 50 30 EEEARN C=CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000100895862 276893412 /nfs/dbraw/zinc/89/34/12/276893412.db2.gz QNUBREWRAXVRMK-ZRDIBKRKSA-N 0 0 336.847 2.208 50 30 EEEARN CC(C)(O)C#Cc1ccc(-c2c(C#N)c(N)nc3c2COCC3)s1 ZINC000071748460 277310428 /nfs/dbraw/zinc/31/04/28/277310428.db2.gz AAXBQDZDBBPCIG-UHFFFAOYSA-N 0 0 339.420 2.459 50 30 EEEARN CC(C)C(=O)C1=Cc2cccc([N+](=O)[O-])c2O[C@H]1N1CCOCC1 ZINC000019626744 277327207 /nfs/dbraw/zinc/32/72/07/277327207.db2.gz PNCNOXNHJPZNTE-QGZVFWFLSA-N 0 0 332.356 2.254 50 30 EEEARN Cc1ccc(C)c(-n2c3nc4ccccn4c(=O)c3cc(C#N)c2=O)c1 ZINC000005152665 278796495 /nfs/dbraw/zinc/79/64/95/278796495.db2.gz YGXLETRZOOBYCL-UHFFFAOYSA-N 0 0 342.358 2.487 50 30 EEEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1 ZINC000012345667 295246760 /nfs/dbraw/zinc/24/67/60/295246760.db2.gz JJKIUNLIBITPPK-HNNXBMFYSA-N 0 0 325.372 2.340 50 30 EEEARN N#Cc1cccc(NC(=O)c2cn(C[C@@H](O)c3cccs3)nn2)c1 ZINC000085470494 462550398 /nfs/dbraw/zinc/55/03/98/462550398.db2.gz DWSDYROFPBHIKS-CQSZACIVSA-N 0 0 339.380 2.197 50 30 EEEARN COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1C[C@@H]1CCCO1 ZINC000000381131 462558138 /nfs/dbraw/zinc/55/81/38/462558138.db2.gz BWYNYTLNIVQSCS-LRDDRELGSA-N 0 0 331.368 2.159 50 30 EEEARN Cc1ccc(OCc2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 ZINC000000553058 462570558 /nfs/dbraw/zinc/57/05/58/462570558.db2.gz GUNQYWXSSXLLFM-UHFFFAOYSA-N 0 0 340.383 2.135 50 30 EEEARN CCc1ccc(NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1 ZINC000000582983 462570839 /nfs/dbraw/zinc/57/08/39/462570839.db2.gz OZKGGBUPWAXCMV-UHFFFAOYSA-N 0 0 339.395 2.376 50 30 EEEARN COCc1cc(C)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1C#N ZINC000000810872 462573936 /nfs/dbraw/zinc/57/39/36/462573936.db2.gz PSOZOOBNNYBSGJ-AWEZNQCLSA-N 0 0 339.395 2.052 50 30 EEEARN C=C(C)CN1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000061966148 462604829 /nfs/dbraw/zinc/60/48/29/462604829.db2.gz MZWKOPLGUVQJLG-UHFFFAOYSA-N 0 0 348.472 2.061 50 30 EEEARN COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)COC(C)(C)C2 ZINC000006662231 462694797 /nfs/dbraw/zinc/69/47/97/462694797.db2.gz XFEHBIQZCHFBKB-UHFFFAOYSA-N 0 0 325.368 2.151 50 30 EEEARN C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000006752706 462703254 /nfs/dbraw/zinc/70/32/54/462703254.db2.gz GKZRDJYXWGJUDF-URLQWDBASA-N 0 0 342.395 2.208 50 30 EEEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)CC(=O)N2 ZINC000006748279 462703578 /nfs/dbraw/zinc/70/35/78/462703578.db2.gz WDBOLIXHLVRHOL-LLVKDONJSA-N 0 0 329.381 2.228 50 30 EEEARN CCCCn1c(SCC(=O)Nc2sccc2C#N)n[nH]c1=O ZINC000007345023 462731519 /nfs/dbraw/zinc/73/15/19/462731519.db2.gz BHYCQELYJSYRTK-UHFFFAOYSA-N 0 0 337.430 2.035 50 30 EEEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)N1CCOCC1 ZINC000007759484 462749998 /nfs/dbraw/zinc/74/99/98/462749998.db2.gz DUOOEYKWEBFILY-UHFFFAOYSA-N 0 0 342.399 2.485 50 30 EEEARN CC(=O)N1C[C@@H](C(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000007989752 462762085 /nfs/dbraw/zinc/76/20/85/462762085.db2.gz TYWYDGXQQOTOIW-AWEZNQCLSA-N 0 0 327.365 2.372 50 30 EEEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1cccnc1 ZINC000013685141 462900093 /nfs/dbraw/zinc/90/00/93/462900093.db2.gz FYHFDKJXWFIVRN-AWQFTUOYSA-N 0 0 335.392 2.237 50 30 EEEARN C=CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 ZINC000015938086 462966549 /nfs/dbraw/zinc/96/65/49/462966549.db2.gz RQLOHBGWRARVCM-SDNWHVSQSA-N 0 0 341.323 2.261 50 30 EEEARN N#Cc1ccc(OCCN2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029445568 463257656 /nfs/dbraw/zinc/25/76/56/463257656.db2.gz IWPNILLUBLDSQU-UHFFFAOYSA-N 0 0 333.395 2.026 50 30 EEEARN Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000029528684 463260757 /nfs/dbraw/zinc/26/07/57/463260757.db2.gz YJVAFINWKCUDDT-UHFFFAOYSA-N 0 0 339.374 2.067 50 30 EEEARN Cn1c(Cl)cnc1CN1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000097200635 463346638 /nfs/dbraw/zinc/34/66/38/463346638.db2.gz XHDHWTIANBPZDF-CYBMUJFWSA-N 0 0 330.823 2.274 50 30 EEEARN COC(=O)c1ccc(COc2ccc(/C=N\NC(N)=S)cc2)cc1 ZINC000031870555 463357649 /nfs/dbraw/zinc/35/76/49/463357649.db2.gz HBZSYHNATHKFLH-GRSHGNNSSA-N 0 0 343.408 2.219 50 30 EEEARN C#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)c1 ZINC000032895266 463400441 /nfs/dbraw/zinc/40/04/41/463400441.db2.gz GSJNBKXJEHHPOT-UHFFFAOYSA-N 0 0 346.383 2.114 50 30 EEEARN N#Cc1cccc(C(=O)NCc2noc(COc3ccccc3)n2)c1 ZINC000033328358 463420385 /nfs/dbraw/zinc/42/03/85/463420385.db2.gz LFBVCAOZSFYZSP-UHFFFAOYSA-N 0 0 334.335 2.450 50 30 EEEARN COc1ccc(C(=O)NCc2noc(Cc3ccccc3)n2)cc1C#N ZINC000033328388 463421259 /nfs/dbraw/zinc/42/12/59/463421259.db2.gz CHXWFKUPWPIHCD-UHFFFAOYSA-N 0 0 348.362 2.471 50 30 EEEARN COc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000225494144 464166700 /nfs/dbraw/zinc/16/67/00/464166700.db2.gz IZLBDXMLQDJSOQ-HNNXBMFYSA-N 0 0 338.367 2.040 50 30 EEEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)C1=COCCO1 ZINC000100909805 519259559 /nfs/dbraw/zinc/25/95/59/519259559.db2.gz VLIHGCKDWXXJKR-MSUUIHNZSA-N 0 0 332.381 2.213 50 30 EEEARN CC[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000036213913 521892313 /nfs/dbraw/zinc/89/23/13/521892313.db2.gz RZPVMLYMMDRJDM-MRXNPFEDSA-N 0 0 327.384 2.379 50 30 EEEARN O=C(Cc1sc(NN=Cc2ccco2)nc1O)Nc1ccccc1 ZINC000016810535 527186771 /nfs/dbraw/zinc/18/67/71/527186771.db2.gz FLIYDQCLZJPTMV-OMJMQIJPSA-N 0 0 342.380 2.230 50 30 EEEARN C=CCn1cnnc1SCC(=O)NCc1cc(C)c(O)c(C)c1 ZINC000007813632 527389912 /nfs/dbraw/zinc/38/99/12/527389912.db2.gz XBEDNVZHMVJTME-UHFFFAOYSA-N 0 0 332.429 2.195 50 30 EEEARN C=CCC(O)(CC=C)CNc1nc2nonc2nc1N1CCCCC1 ZINC000012707142 1221895920 /nfs/dbraw/zinc/89/59/20/1221895920.db2.gz FIQJPISWZDAKMN-UHFFFAOYSA-N 0 0 344.419 2.298 50 30 EEEARN CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000824864187 800297263 /nfs/dbraw/zinc/29/72/63/800297263.db2.gz MDYOIOYOJKWVCO-GOSISDBHSA-N 0 0 349.496 2.066 50 30 EEEARN C=CCCC(=O)N1CCCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001523172902 1119684624 /nfs/dbraw/zinc/68/46/24/1119684624.db2.gz NRPRGAITCCMCGN-UHFFFAOYSA-N 0 0 330.428 2.265 50 30 EEEARN N#CCC(=O)Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC001547139526 1124223463 /nfs/dbraw/zinc/22/34/63/1124223463.db2.gz SEYPMXWTFOPAAS-UHFFFAOYSA-N 0 0 329.315 2.197 50 30 EEEARN N#Cc1cnc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000129167749 223028722 /nfs/dbraw/zinc/02/87/22/223028722.db2.gz OVTYTRIBYVRPTO-ZDUSSCGKSA-N 0 0 331.738 2.358 50 30 EEEARN N#C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(OCc2ccccc2)cc1 ZINC000104393947 237085762 /nfs/dbraw/zinc/08/57/62/237085762.db2.gz HJLBXFPUIUGEEB-QZTJIDSGSA-N 0 0 349.390 2.225 50 30 EEEARN N#Cc1nccnc1N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC000206603982 241045023 /nfs/dbraw/zinc/04/50/23/241045023.db2.gz FHRIRSMNEBRRBG-OAHLLOKOSA-N 0 0 325.416 2.037 50 30 EEEARN COc1ccc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc1[N+](=O)[O-] ZINC000013125229 211526232 /nfs/dbraw/zinc/52/62/32/211526232.db2.gz YGDSIJNGFLQBME-AWEZNQCLSA-N 0 0 329.316 2.073 50 30 EEEARN C=CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1Br ZINC000012343912 211352738 /nfs/dbraw/zinc/35/27/38/211352738.db2.gz AIOJGWYFBBOWAW-JXMROGBWSA-N 0 0 339.214 2.359 50 30 EEEARN C=CCN(CC=C)C(=O)[C@H]1Cc2nc(NC(=O)CC)sc2C(=O)C1 ZINC000012281176 211333186 /nfs/dbraw/zinc/33/31/86/211333186.db2.gz BKEJBBNBOOAQLA-NSHDSACASA-N 0 0 347.440 2.437 50 30 EEEARN CCOC(=O)c1cc(C#N)c(S[C@H]2CCCCNC2=O)nc1C ZINC000010673308 211185882 /nfs/dbraw/zinc/18/58/82/211185882.db2.gz HZYLCWCWSNWIPI-ZDUSSCGKSA-N 0 0 333.413 2.199 50 30 EEEARN CCOc1ccc(NC(=O)N2CC[C@H](CC(=O)OC)C2)cc1C#N ZINC000097499442 219030314 /nfs/dbraw/zinc/03/03/14/219030314.db2.gz APHAZIFXSDWOHR-GFCCVEGCSA-N 0 0 331.372 2.374 50 30 EEEARN C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCCC3=O)cc2C1=O ZINC000004789678 210279130 /nfs/dbraw/zinc/27/91/30/210279130.db2.gz KPMMBNKVPNZGDX-OAHLLOKOSA-N 0 0 327.336 2.137 50 30 EEEARN COCCN(CCOC)C(=O)c1cccc(-c2cccnc2C#N)c1 ZINC000299797775 258101941 /nfs/dbraw/zinc/10/19/41/258101941.db2.gz QHLAQEUWGOZXSY-UHFFFAOYSA-N 0 0 339.395 2.355 50 30 EEEARN CC1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(Cl)C1=O ZINC000016115235 275907022 /nfs/dbraw/zinc/90/70/22/275907022.db2.gz IOTJBODIXYKTTD-OQLLNIDSSA-N 0 0 340.744 2.376 50 30 EEEARN CCCn1c2c(c(=O)n(C)c1=O)C(=O)C(=Cc1ccc(CC)cc1)N2 ZINC000012858361 276058389 /nfs/dbraw/zinc/05/83/89/276058389.db2.gz XDCLZTMYFBYPEZ-KAMYIIQDSA-N 0 0 339.395 2.169 50 30 EEEARN N#CCN1C(=O)N(c2ccc(F)cc2)c2ncccc2S1(=O)=O ZINC000049420965 279480943 /nfs/dbraw/zinc/48/09/43/279480943.db2.gz KBUGIXIRGDASMO-UHFFFAOYSA-N 0 0 332.316 2.007 50 30 EEEARN N#C[C@H](C(=O)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F ZINC000103719119 303165993 /nfs/dbraw/zinc/16/59/93/303165993.db2.gz MAXUDRUFSKYLDO-GFCCVEGCSA-N 0 0 340.310 2.444 50 30 EEEARN C=CCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 ZINC000000087574 462541836 /nfs/dbraw/zinc/54/18/36/462541836.db2.gz GCCMWAIQNFWSSY-UHFFFAOYSA-N 0 0 339.420 2.426 50 30 EEEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000000299946 462553441 /nfs/dbraw/zinc/55/34/41/462553441.db2.gz OZIVDVLMBBNGJV-FQEVSTJZSA-N 0 0 335.359 2.136 50 30 EEEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000549846 462569957 /nfs/dbraw/zinc/56/99/57/462569957.db2.gz ORZOBXWUPAGSNK-HNNXBMFYSA-N 0 0 339.307 2.479 50 30 EEEARN COc1cc(C#N)c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000001425566 462582737 /nfs/dbraw/zinc/58/27/37/462582737.db2.gz FCUHNMGEMCNHJX-CHWSQXEVSA-N 0 0 331.416 2.492 50 30 EEEARN CCOC(=O)C(N=Nc1cccc(Br)c1)C(=O)OCC ZINC000001703193 462584923 /nfs/dbraw/zinc/58/49/23/462584923.db2.gz CSYLXXCNRLJAOZ-UHFFFAOYSA-N 0 0 343.177 2.343 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000002664226 462599661 /nfs/dbraw/zinc/59/96/61/462599661.db2.gz CXCWHFSWXRVCLU-UHFFFAOYSA-N 0 0 325.349 2.245 50 30 EEEARN C=CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000003205638 462612248 /nfs/dbraw/zinc/61/22/48/462612248.db2.gz XNPPIYOLPTVZFL-AWEZNQCLSA-N 0 0 331.328 2.294 50 30 EEEARN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1C#N ZINC000003219270 462612863 /nfs/dbraw/zinc/61/28/63/462612863.db2.gz FNYLCKKHLDCSCJ-UHFFFAOYSA-N 0 0 340.335 2.371 50 30 EEEARN Cc1ccc(S(=O)(=O)N/N=C/c2cccc3nccnc23)cc1 ZINC000005576312 462662609 /nfs/dbraw/zinc/66/26/09/462662609.db2.gz MNUQPAWDVNPDEU-YBFXNURJSA-N 0 0 326.381 2.251 50 30 EEEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006308061 462681957 /nfs/dbraw/zinc/68/19/57/462681957.db2.gz WUQJSILQSFLEMY-CYBMUJFWSA-N 0 0 333.369 2.117 50 30 EEEARN N#CCCNS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 ZINC000006585250 462690925 /nfs/dbraw/zinc/69/09/25/462690925.db2.gz QDPQEZULWWQDSB-UHFFFAOYSA-N 0 0 349.456 2.331 50 30 EEEARN CC(=O)N[C@@H](C(=O)NCCSCc1ccccc1C#N)C(C)C ZINC000007649109 462743101 /nfs/dbraw/zinc/74/31/01/462743101.db2.gz BXMASYDHFDDWCE-MRXNPFEDSA-N 0 0 333.457 2.068 50 30 EEEARN C=CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012589327 462858782 /nfs/dbraw/zinc/85/87/82/462858782.db2.gz RHQWURNGSVCTTK-LBPRGKRZSA-N 0 0 326.318 2.499 50 30 EEEARN C=CCN1CCN(c2nc3sc(C)c(C)c3c3ncnn32)CC1 ZINC000013627800 462897375 /nfs/dbraw/zinc/89/73/75/462897375.db2.gz BUTIPIXLIMTLDL-UHFFFAOYSA-N 0 0 328.445 2.264 50 30 EEEARN N=C(NOC(=O)c1ccccc1Cl)c1ncc([N+](=O)[O-])s1 ZINC000013658511 462898441 /nfs/dbraw/zinc/89/84/41/462898441.db2.gz UKCYXJSMXMIPPN-UHFFFAOYSA-N 0 0 326.721 2.182 50 30 EEEARN C=CCc1ccccc1OC[C@@H](O)CSc1nnnn1C1CC1 ZINC000014238409 462920290 /nfs/dbraw/zinc/92/02/90/462920290.db2.gz UFVGYWDBVDJDGO-CQSZACIVSA-N 0 0 332.429 2.269 50 30 EEEARN O=S(=O)(N/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000017066888 462993897 /nfs/dbraw/zinc/99/38/97/462993897.db2.gz YGKRKCJORIFHQT-NVNXTCNLSA-N 0 0 326.761 2.064 50 30 EEEARN C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000121874206 463209546 /nfs/dbraw/zinc/20/95/46/463209546.db2.gz ZPMKGRLDKAMYCX-QFBILLFUSA-N 0 0 335.492 2.364 50 30 EEEARN C[C@H]1CN(C(C)(C)CNC(=O)NCC#Cc2ccccc2)C[C@H](C)O1 ZINC000032802844 463395712 /nfs/dbraw/zinc/39/57/12/463395712.db2.gz VFSMSXQRIRSHGO-IRXDYDNUSA-N 0 0 343.471 2.225 50 30 EEEARN COc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)noc2C)c1 ZINC000103503677 463403449 /nfs/dbraw/zinc/40/34/49/463403449.db2.gz HTMNSPNEOLTESJ-OAHLLOKOSA-N 0 0 327.340 2.190 50 30 EEEARN Cc1cc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)[nH]n1 ZINC000107505782 463572951 /nfs/dbraw/zinc/57/29/51/463572951.db2.gz JPOWTANSJZRTNB-DLBZAZTESA-N 0 0 340.427 2.209 50 30 EEEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000126388582 463632205 /nfs/dbraw/zinc/63/22/05/463632205.db2.gz XQYBQPIPGJTVAR-CYBMUJFWSA-N 0 0 331.335 2.433 50 30 EEEARN COc1ccc([C@@H](Nc2ccnc(OC)c2C#N)[C@H]2C[C@H](O)C2)cn1 ZINC000222599940 464132251 /nfs/dbraw/zinc/13/22/51/464132251.db2.gz NYCWUHALWNVEGV-IIYDPXPESA-N 0 0 340.383 2.290 50 30 EEEARN COc1ccc(/C=N/[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018167598 523452602 /nfs/dbraw/zinc/45/26/02/523452602.db2.gz UGPNXGYAEZANPN-FDXHFJGXSA-N 0 0 330.340 2.117 50 30 EEEARN C[C@](C#N)(NC(=O)COC(=O)c1nc(Cl)ccc1Cl)C1CC1 ZINC000004767448 525135639 /nfs/dbraw/zinc/13/56/39/525135639.db2.gz GOCRFJOTEBUNAS-CQSZACIVSA-N 0 0 342.182 2.354 50 30 EEEARN O=C(NOC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OC(F)F)cc1 ZINC000000195963 526843581 /nfs/dbraw/zinc/84/35/81/526843581.db2.gz DBDOVWUZIZPUIX-UHFFFAOYSA-N 0 0 342.210 2.291 50 30 EEEARN C=CCCC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC000606440930 795558816 /nfs/dbraw/zinc/55/88/16/795558816.db2.gz WDMBNUBFDQQAEK-NSHDSACASA-N 0 0 326.194 2.185 50 30 EEEARN C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@@H](COC)C1 ZINC000952961203 796078133 /nfs/dbraw/zinc/07/81/33/796078133.db2.gz XFVVKPNZUAULFK-CQSZACIVSA-N 0 0 344.502 2.339 50 30 EEEARN CC(C)(O)C#Cc1ccc(C(=O)NCCN2CCc3ccccc32)o1 ZINC000952971351 796110472 /nfs/dbraw/zinc/11/04/72/796110472.db2.gz CZXZEVTVLQLDDI-UHFFFAOYSA-N 0 0 338.407 2.195 50 30 EEEARN COC[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccccn1 ZINC000952990200 796160367 /nfs/dbraw/zinc/16/03/67/796160367.db2.gz LKALKWBQLGHAIM-GOSISDBHSA-N 0 0 338.407 2.322 50 30 EEEARN Cc1ccc(S(=O)(=O)N/N=C/c2cccc3c2OCCO3)cc1 ZINC000004701845 210253364 /nfs/dbraw/zinc/25/33/64/210253364.db2.gz VJORNFGTQMJRIO-GZTJUZNOSA-N 0 0 332.381 2.079 50 30 EEEARN C=CCOC(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067851257 215231959 /nfs/dbraw/zinc/23/19/59/215231959.db2.gz GIEIFUMJLRSKMM-AWEZNQCLSA-N 0 0 342.399 2.073 50 30 EEEARN N#Cc1ncn(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 ZINC000012920909 283257872 /nfs/dbraw/zinc/25/78/72/283257872.db2.gz BKOSUAKCZKCUTR-UHFFFAOYSA-N 0 0 346.325 2.036 50 30 EEEARN C=CCN(c1ccccc1)S(=O)(=O)c1nc2nc(C)cc(C)n2n1 ZINC000035326789 213022333 /nfs/dbraw/zinc/02/23/33/213022333.db2.gz GXWXDSYUADYXPT-UHFFFAOYSA-N 0 0 343.412 2.122 50 30 EEEARN N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)c(F)c2)nc1N ZINC000021424327 212224973 /nfs/dbraw/zinc/22/49/73/212224973.db2.gz FQWOCVOUVIODPE-UHFFFAOYSA-N 0 0 345.334 2.416 50 30 EEEARN C=CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077357830 216883244 /nfs/dbraw/zinc/88/32/44/216883244.db2.gz UUTPNRUVXYHUOR-LJQANCHMSA-N 0 0 342.443 2.092 50 30 EEEARN N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCOCC3)cc2)cc1 ZINC000019331866 212017084 /nfs/dbraw/zinc/01/70/84/212017084.db2.gz WQKZIQOVSHBBLN-LJQANCHMSA-N 0 0 338.407 2.297 50 30 EEEARN C=CCC(O)(CC=C)CNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012613078 211423836 /nfs/dbraw/zinc/42/38/36/211423836.db2.gz OUSKKFSZVRXMPY-HNNXBMFYSA-N 0 0 334.460 2.167 50 30 EEEARN COc1cc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)ccc1O ZINC000012407637 211370627 /nfs/dbraw/zinc/37/06/27/211370627.db2.gz OAFVFKPTVKGQND-CQSZACIVSA-N 0 0 328.328 2.370 50 30 EEEARN N#Cc1cccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c1 ZINC000011373101 211214554 /nfs/dbraw/zinc/21/45/54/211214554.db2.gz WKCLGCQULPQDBV-UHFFFAOYSA-N 0 0 340.364 2.465 50 30 EEEARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000009953445 211136709 /nfs/dbraw/zinc/13/67/09/211136709.db2.gz POOYMMZAQLLYBK-LJQANCHMSA-N 0 0 349.346 2.254 50 30 EEEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000004791675 210278357 /nfs/dbraw/zinc/27/83/57/210278357.db2.gz CNUNJKAIWILZCZ-WFSQQTBHSA-N 0 0 344.352 2.352 50 30 EEEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)NC1CC1 ZINC000006699178 258044840 /nfs/dbraw/zinc/04/48/40/258044840.db2.gz RIYBCTNUBPNYPJ-UHFFFAOYSA-N 0 0 334.470 2.487 50 30 EEEARN CN(C)N1C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000001422729 289227553 /nfs/dbraw/zinc/22/75/53/289227553.db2.gz QRRPMWJGFVIYQF-ZDUSSCGKSA-N 0 0 329.356 2.394 50 30 EEEARN COc1cc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)ccc1O ZINC000002598007 462595107 /nfs/dbraw/zinc/59/51/07/462595107.db2.gz GTRBEMYYNXEUPV-YBFXNURJSA-N 0 0 336.351 2.210 50 30 EEEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000000125750 462542920 /nfs/dbraw/zinc/54/29/20/462542920.db2.gz RJQUOIJAURTDOC-ZDUSSCGKSA-N 0 0 328.368 2.182 50 30 EEEARN COCc1cc(C)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1C#N ZINC000000810884 462573013 /nfs/dbraw/zinc/57/30/13/462573013.db2.gz FNQFZFIVTGSENO-UHFFFAOYSA-N 0 0 345.786 2.467 50 30 EEEARN Cc1nc(S(=O)(=O)NCc2ccco2)c(C#N)c(C)c1Cl ZINC000001428526 462582208 /nfs/dbraw/zinc/58/22/08/462582208.db2.gz NUMYPAVIVZDWQR-UHFFFAOYSA-N 0 0 325.777 2.295 50 30 EEEARN C=CCN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000002395778 462592474 /nfs/dbraw/zinc/59/24/74/462592474.db2.gz BNSGMEWVMFPKAK-UKTHLTGXSA-N 0 0 329.381 2.099 50 30 EEEARN COc1ccc(CN(C)S(=O)(=O)c2ccccc2C#N)c(OC)c1 ZINC000007218585 462725844 /nfs/dbraw/zinc/72/58/44/462725844.db2.gz MVRNZYIATKPWAU-UHFFFAOYSA-N 0 0 346.408 2.396 50 30 EEEARN Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)N(C)CCC#N ZINC000009604886 462805842 /nfs/dbraw/zinc/80/58/42/462805842.db2.gz IPFZAHUKENKHES-UHFFFAOYSA-N 0 0 339.395 2.309 50 30 EEEARN C=CCn1c(=O)c2c(nc3n2cc(C)n3C2CCCCC2)n(C)c1=O ZINC000009829439 462808702 /nfs/dbraw/zinc/80/87/02/462808702.db2.gz HOQDLQAJYKJBIA-UHFFFAOYSA-N 0 0 341.415 2.149 50 30 EEEARN CCCN1CCC[C@]2(CCN(c3ccnc(OC)c3C#N)C2)C1=O ZINC000091319932 462872782 /nfs/dbraw/zinc/87/27/82/462872782.db2.gz RMMIPMMFGJEVPK-GOSISDBHSA-N 0 0 328.416 2.191 50 30 EEEARN N#Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000012867481 462873460 /nfs/dbraw/zinc/87/34/60/462873460.db2.gz GAHXKHUCGOHJNJ-UHFFFAOYSA-N 0 0 333.347 2.460 50 30 EEEARN N#Cc1ccc(OCCN2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000014232063 462920397 /nfs/dbraw/zinc/92/03/97/462920397.db2.gz ATXDEERIPJZYFK-UHFFFAOYSA-N 0 0 335.407 2.395 50 30 EEEARN CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccc(C#N)cc3)ccc21 ZINC000015323713 462948521 /nfs/dbraw/zinc/94/85/21/462948521.db2.gz GJWFKJQKNQMDLA-UHFFFAOYSA-N 0 0 342.376 2.235 50 30 EEEARN Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077506072 462997335 /nfs/dbraw/zinc/99/73/35/462997335.db2.gz HOUFAGZYGHVAPO-HNNXBMFYSA-N 0 0 342.443 2.305 50 30 EEEARN CC1(C)C[C@@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2CC(N)=O ZINC000018140415 463006440 /nfs/dbraw/zinc/00/64/40/463006440.db2.gz FFPCTLSZIVPMCO-KRWDZBQOSA-N 0 0 346.456 2.131 50 30 EEEARN Cc1nnc(N2CCN(CCOc3ccccc3)CC2)c(C#N)c1C ZINC000024054101 463076944 /nfs/dbraw/zinc/07/69/44/463076944.db2.gz YNLOCRKGFXSYIW-UHFFFAOYSA-N 0 0 337.427 2.166 50 30 EEEARN N#Cc1ccc(CN2CCN(Cc3nnsc3Cl)CC2)cc1 ZINC000026867014 463174620 /nfs/dbraw/zinc/17/46/20/463174620.db2.gz RSYIYUHSMBEQCB-UHFFFAOYSA-N 0 0 333.848 2.381 50 30 EEEARN COC(=O)c1n[nH]cc1-c1c(C#N)c(N)nc2c1COc1ccccc1-2 ZINC000071759690 463422995 /nfs/dbraw/zinc/42/29/95/463422995.db2.gz KHFGNOUUBIFCQL-UHFFFAOYSA-N 0 0 347.334 2.272 50 30 EEEARN COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000107587328 463574964 /nfs/dbraw/zinc/57/49/64/463574964.db2.gz GZICZUJDAHHEKD-CRAIPNDOSA-N 0 0 338.411 2.070 50 30 EEEARN C#CCNC(=O)[C@H](C)Nc1cnn(-c2ccccc2Br)c1 ZINC000126513335 463643898 /nfs/dbraw/zinc/64/38/98/463643898.db2.gz DCRHTETYQPPUTJ-NSHDSACASA-N 0 0 347.216 2.185 50 30 EEEARN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000222209864 464128035 /nfs/dbraw/zinc/12/80/35/464128035.db2.gz OLNJNJGDSIMNMI-UONOGXRCSA-N 0 0 348.472 2.248 50 30 EEEARN N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3)CC2)cc1 ZINC000253402353 465002130 /nfs/dbraw/zinc/00/21/30/465002130.db2.gz ODXKEDSHWQGCSJ-UHFFFAOYSA-N 0 0 343.408 2.185 50 30 EEEARN COc1ccccc1-n1cc(CNC(=O)N2CCC[C@H](C#N)C2)cn1 ZINC000426661397 536977949 /nfs/dbraw/zinc/97/79/49/536977949.db2.gz WFKYKOGMWZJPMI-CQSZACIVSA-N 0 0 339.399 2.326 50 30 EEEARN N#Cc1cccc(N2CCCN(C(=O)c3cc(C4CC4)no3)CC2)n1 ZINC001772813181 1410371764 /nfs/dbraw/zinc/37/17/64/1410371764.db2.gz UZQJWGSHWJBDDT-UHFFFAOYSA-N 0 0 337.383 2.171 50 30 EEEARN COc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100418173 219098379 /nfs/dbraw/zinc/09/83/79/219098379.db2.gz JNPHGJCWXCZFFW-CYBMUJFWSA-N 0 0 342.395 2.413 50 30 EEEARN N#Cc1ccsc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100968616 219112594 /nfs/dbraw/zinc/11/25/94/219112594.db2.gz QYJKIMMAXAPBGR-RYUDHWBXSA-N 0 0 331.397 2.124 50 30 EEEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000004113570 210123892 /nfs/dbraw/zinc/12/38/92/210123892.db2.gz HUMIAESKSKEUHI-AWEZNQCLSA-N 0 0 332.356 2.061 50 30 EEEARN COc1cccc(CNC(=NS(C)(=O)=O)Nc2ccccc2)c1 ZINC000033116436 212899706 /nfs/dbraw/zinc/89/97/06/212899706.db2.gz FWCADSNEIKWXHM-UHFFFAOYSA-N 0 0 333.413 2.213 50 30 EEEARN N#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 ZINC000022765878 212321774 /nfs/dbraw/zinc/32/17/74/212321774.db2.gz FIAXAPFMWZJQGK-KRWDZBQOSA-N 0 0 341.436 2.423 50 30 EEEARN C=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1 ZINC000021706075 212242077 /nfs/dbraw/zinc/24/20/77/212242077.db2.gz ZVOHPWIXDGXQTB-HNNXBMFYSA-N 0 0 343.427 2.190 50 30 EEEARN CC(C)n1cc(C(=O)N2CCN(Cc3ccccc3C#N)CC2)cn1 ZINC000077427034 216901793 /nfs/dbraw/zinc/90/17/93/216901793.db2.gz WWOSKHZFZVWAJG-UHFFFAOYSA-N 0 0 337.427 2.294 50 30 EEEARN C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c2nc(C)nn21 ZINC000013230452 211537976 /nfs/dbraw/zinc/53/79/76/211537976.db2.gz PLKROYIJLURVTB-JTQLQIEISA-N 0 0 327.413 2.369 50 30 EEEARN C=CCc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1OC ZINC000009721187 211117774 /nfs/dbraw/zinc/11/77/74/211117774.db2.gz VKSNDUIURBNGRA-UHFFFAOYSA-N 0 0 334.416 2.077 50 30 EEEARN C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O ZINC000008940360 211021438 /nfs/dbraw/zinc/02/14/38/211021438.db2.gz ZYSHWUIFQWQGSC-FZKQIMNGSA-N 0 0 327.384 2.438 50 30 EEEARN N#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000007597048 210818176 /nfs/dbraw/zinc/81/81/76/210818176.db2.gz XVNHHRGYRHVFRI-UHFFFAOYSA-N 0 0 335.363 2.468 50 30 EEEARN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000007146447 210763503 /nfs/dbraw/zinc/76/35/03/210763503.db2.gz ZFLHDISKCSCHBH-UHFFFAOYSA-N 0 0 329.425 2.445 50 30 EEEARN O=C1Nc2ccccc2C1=NNc1nn2cnnc2c2ccccc21 ZINC000013923892 284929507 /nfs/dbraw/zinc/92/95/07/284929507.db2.gz XNFOFGBYBQQRMD-UHFFFAOYSA-N 0 0 329.323 2.046 50 30 EEEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000005629770 210505904 /nfs/dbraw/zinc/50/59/04/210505904.db2.gz PHQGHVRSGUBSAQ-LBPRGKRZSA-N 0 0 345.399 2.493 50 30 EEEARN C=CCNC(=O)CN(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000003491622 208558835 /nfs/dbraw/zinc/55/88/35/208558835.db2.gz ZFRMNDLJPYBCFM-UHFFFAOYSA-N 0 0 343.349 2.268 50 30 EEEARN Cc1cc(C#N)ccc1-c1cccc(C(=O)N2CCN(C)C(=O)C2)c1 ZINC000299789523 258095686 /nfs/dbraw/zinc/09/56/86/258095686.db2.gz WKPHDAGBIZUTQE-UHFFFAOYSA-N 0 0 333.391 2.448 50 30 EEEARN CN1CCc2ncnc(N3CCCN(c4ccc(C#N)cc4)CC3)c2C1 ZINC000065474271 290256119 /nfs/dbraw/zinc/25/61/19/290256119.db2.gz DFXKKSBDICFRHN-UHFFFAOYSA-N 0 0 348.454 2.053 50 30 EEEARN COc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 ZINC000000113624 462542873 /nfs/dbraw/zinc/54/28/73/462542873.db2.gz FQQCGSBTIWVJIF-UHFFFAOYSA-N 0 0 334.379 2.299 50 30 EEEARN COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000000381122 462558203 /nfs/dbraw/zinc/55/82/03/462558203.db2.gz ZZYZZVGEHAGCKI-ZBFHGGJFSA-N 0 0 331.368 2.159 50 30 EEEARN COC(=O)CCCC=C1SC[C@H](NC(=O)c2ccccc2)C1=O ZINC000002090587 462589191 /nfs/dbraw/zinc/58/91/91/462589191.db2.gz REWMSZNKXQXWJY-FYQHACEVSA-N 0 0 333.409 2.328 50 30 EEEARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000002621440 462597309 /nfs/dbraw/zinc/59/73/09/462597309.db2.gz YVKNNIPEELGLID-UHFFFAOYSA-N 0 0 329.381 2.061 50 30 EEEARN COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1OC ZINC000005415750 462658474 /nfs/dbraw/zinc/65/84/74/462658474.db2.gz FIIHJMNLDNEXPY-GZTJUZNOSA-N 0 0 334.397 2.325 50 30 EEEARN CCC(=O)NC1=C(Nc2ccc(N)cc2)C(=O)c2ccccc2C1=O ZINC000005500940 462662174 /nfs/dbraw/zinc/66/21/74/462662174.db2.gz MWEUUCVMUWQDTQ-UHFFFAOYSA-N 0 0 335.363 2.498 50 30 EEEARN O=S(=O)(N/N=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000006333301 462683040 /nfs/dbraw/zinc/68/30/40/462683040.db2.gz ZISOLDRULXIYKS-OVCLIPMQSA-N 0 0 326.761 2.064 50 30 EEEARN N#Cc1ccccc1COC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000006544551 462689065 /nfs/dbraw/zinc/68/90/65/462689065.db2.gz VYARHUXAWUVKAQ-UHFFFAOYSA-N 0 0 336.269 2.482 50 30 EEEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1CCOCC1 ZINC000006698120 462697572 /nfs/dbraw/zinc/69/75/72/462697572.db2.gz RLWPIVWQTPMCAB-UHFFFAOYSA-N 0 0 328.372 2.177 50 30 EEEARN N#Cc1cccnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000007051720 462720038 /nfs/dbraw/zinc/72/00/38/462720038.db2.gz YEROFUVAIDCIRG-UHFFFAOYSA-N 0 0 327.365 2.455 50 30 EEEARN C=CCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000010149005 462813248 /nfs/dbraw/zinc/81/32/48/462813248.db2.gz JAPITFVMZZGMBZ-UHFFFAOYSA-N 0 0 328.159 2.183 50 30 EEEARN CCn1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)c(C)n1 ZINC000020607159 463028425 /nfs/dbraw/zinc/02/84/25/463028425.db2.gz SWERJGBBUJBWAW-HNNXBMFYSA-N 0 0 326.404 2.461 50 30 EEEARN N#CC1(NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)CCCCC1 ZINC000097200575 463346215 /nfs/dbraw/zinc/34/62/15/463346215.db2.gz ACTUYEHBBHKMHQ-INIZCTEOSA-N 0 0 341.459 2.158 50 30 EEEARN C=CCn1c(NCc2ccc(F)cc2)nc2c(C)nn(C)c2c1=O ZINC000032652672 463386426 /nfs/dbraw/zinc/38/64/26/463386426.db2.gz KVIKWBBYKPQSCA-UHFFFAOYSA-N 0 0 327.363 2.376 50 30 EEEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCOCC1 ZINC000032957485 463404634 /nfs/dbraw/zinc/40/46/34/463404634.db2.gz MIHCKNJCFDMYGH-CYBMUJFWSA-N 0 0 344.440 2.289 50 30 EEEARN N#CC1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCCC1 ZINC000107362785 463567259 /nfs/dbraw/zinc/56/72/59/463567259.db2.gz UXINQEUBXGOEGU-MSOLQXFVSA-N 0 0 339.439 2.182 50 30 EEEARN C=C(COCOCCOC)COCOCc1ccc(OC)cc1 ZINC000043199268 463628209 /nfs/dbraw/zinc/62/82/09/463628209.db2.gz BXJREVHXDTVJEV-UHFFFAOYSA-N 0 0 326.389 2.379 50 30 EEEARN CN(CCOc1ccccc1F)S(=O)(=O)c1ccccc1C#N ZINC000012846554 522923091 /nfs/dbraw/zinc/92/30/91/522923091.db2.gz DDOUTCJJBUFNTP-UHFFFAOYSA-N 0 0 334.372 2.397 50 30 EEEARN N#CC1(NC(=O)COC(=O)c2ccccc2OC(F)F)CCCC1 ZINC000005292080 526436989 /nfs/dbraw/zinc/43/69/89/526436989.db2.gz YAQKIOKWIXTISW-UHFFFAOYSA-N 0 0 338.310 2.397 50 30 EEEARN N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 ZINC000003429319 526443654 /nfs/dbraw/zinc/44/36/54/526443654.db2.gz YIXUKCXFQVLWLS-UHFFFAOYSA-N 0 0 337.335 2.334 50 30 EEEARN O=C(CC1S/C(=N\c2ccccn2)NC1=O)NCc1ccccc1 ZINC000027577295 527146339 /nfs/dbraw/zinc/14/63/39/527146339.db2.gz OWDTZKOEEOYWBU-ZDUSSCGKSA-N 0 0 340.408 2.007 50 30 EEEARN CC(C)(C)OC(=O)N1CC[C@@H](CCOS(C)(=O)=O)C(F)(F)C1 ZINC000390822858 564092825 /nfs/dbraw/zinc/09/28/25/564092825.db2.gz LUFOKRAKBXHRJO-JTQLQIEISA-N 0 0 343.392 2.245 50 30 EEEARN CN(C(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001529152480 1121342051 /nfs/dbraw/zinc/34/20/51/1121342051.db2.gz TZOYSBHZPBXKHR-IVMMDQJWSA-N 0 0 329.375 2.026 50 30 EEEARN COc1cc(C=NNc2nn3cnnc3c3ccccc32)ccc1O ZINC000004206037 210145850 /nfs/dbraw/zinc/14/58/50/210145850.db2.gz JMVHIGRVULAARF-GIJQJNRQSA-N 0 0 334.339 2.438 50 30 EEEARN CCOC(=O)c1ccc(-n2c(N)c(C#N)c3ncccc3c2=O)cc1 ZINC000004108955 210122647 /nfs/dbraw/zinc/12/26/47/210122647.db2.gz ZAWOWQYTBQJDQN-UHFFFAOYSA-N 0 0 334.335 2.016 50 30 EEEARN CCOC(=O)C1=C(C(=O)C(C)C)[C@H](c2cccs2)NC(=S)N1 ZINC000101776468 219163615 /nfs/dbraw/zinc/16/36/15/219163615.db2.gz WDESIWBTFMZPFK-NSHDSACASA-N 0 0 338.454 2.309 50 30 EEEARN C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3 ZINC000003471046 210048439 /nfs/dbraw/zinc/04/84/39/210048439.db2.gz CBRPYZBOUJMIEV-UHFFFAOYSA-N 0 0 336.438 2.398 50 30 EEEARN C=CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CCCC3 ZINC000003317962 210005770 /nfs/dbraw/zinc/00/57/70/210005770.db2.gz MQGZQCLVHUBPOQ-UHFFFAOYSA-N 0 0 349.481 2.361 50 30 EEEARN N#Cc1cc2c(ccn(CCCn3nccc3C3CC3)c2=O)nc1O ZINC000067868305 215234679 /nfs/dbraw/zinc/23/46/79/215234679.db2.gz GLXUAORHKCDLBX-UHFFFAOYSA-N 0 0 335.367 2.138 50 30 EEEARN N#Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000016093754 283216868 /nfs/dbraw/zinc/21/68/68/283216868.db2.gz INMHOIAEEIKBFL-UHFFFAOYSA-N 0 0 331.349 2.487 50 30 EEEARN Cc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1 ZINC000020170912 212108859 /nfs/dbraw/zinc/10/88/59/212108859.db2.gz PZQGNUQZGORFMM-UHFFFAOYSA-N 0 0 342.399 2.178 50 30 EEEARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 ZINC000020059773 212098800 /nfs/dbraw/zinc/09/88/00/212098800.db2.gz RZYCEGDNRFZEJW-UHFFFAOYSA-N 0 0 335.473 2.204 50 30 EEEARN N#CCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000016735860 211932148 /nfs/dbraw/zinc/93/21/48/211932148.db2.gz IHJKZTCETCCZET-NSHDSACASA-N 0 0 347.440 2.388 50 30 EEEARN C=CC[C@]1(CO)CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000091934601 218091733 /nfs/dbraw/zinc/09/17/33/218091733.db2.gz WSYYAEZDZBCNSW-IBGZPJMESA-N 0 0 343.427 2.007 50 30 EEEARN N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000011229949 211208214 /nfs/dbraw/zinc/20/82/14/211208214.db2.gz ATXCURLSWOTEGZ-UHFFFAOYSA-N 0 0 335.363 2.468 50 30 EEEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 ZINC000010257349 211158502 /nfs/dbraw/zinc/15/85/02/211158502.db2.gz IYLSHEWUGYHANV-WOJGMQOQSA-N 0 0 341.392 2.149 50 30 EEEARN Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C ZINC000007779668 210845794 /nfs/dbraw/zinc/84/57/94/210845794.db2.gz WDYCZOHADPUTPZ-UHFFFAOYSA-N 0 0 343.408 2.369 50 30 EEEARN N#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCC1 ZINC000005216696 210416850 /nfs/dbraw/zinc/41/68/50/210416850.db2.gz XJCCBUFJIBRBDN-UHFFFAOYSA-N 0 0 326.356 2.458 50 30 EEEARN Cc1oc(NC(=O)CN2CCO[C@H](c3nccs3)C2)c(C#N)c1C ZINC000097199807 218988722 /nfs/dbraw/zinc/98/87/22/218988722.db2.gz LQXQMZJNYVKARZ-ZDUSSCGKSA-N 0 0 346.412 2.237 50 30 EEEARN COc1ccc(NC(=O)COc2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000004847016 210298951 /nfs/dbraw/zinc/29/89/51/210298951.db2.gz KOEJFFWPDNZFMY-UHFFFAOYSA-N 0 0 327.296 2.493 50 30 EEEARN Cc1cccnc1N1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000067973964 132397467 /nfs/dbraw/zinc/39/74/67/132397467.db2.gz BDJADGSMPYKYDO-UHFFFAOYSA-N 0 0 327.453 2.118 50 30 EEEARN COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)CO[C@@H](C(C)C)C2 ZINC000006759240 286488377 /nfs/dbraw/zinc/48/83/77/286488377.db2.gz VRHXIFCCTCZZSD-QGZVFWFLSA-N 0 0 339.395 2.397 50 30 EEEARN CCOC(=O)c1c(=N)oc2c(c1C1C=CC=CN1)C(=O)CC(C)(C)C2 ZINC000032110883 273688163 /nfs/dbraw/zinc/68/81/63/273688163.db2.gz ILTKWYVVKTZEIJ-KAMYIIQDSA-N 0 0 342.395 2.320 50 30 EEEARN COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)c(OC)c1 ZINC000013154791 277399478 /nfs/dbraw/zinc/39/94/78/277399478.db2.gz 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C=CCCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 ZINC000012387322 462851097 /nfs/dbraw/zinc/85/10/97/462851097.db2.gz DXXBXWIKYHABME-HNNXBMFYSA-N 0 0 344.459 2.409 50 30 EEEARN Cc1nc(OCC(=O)N2CCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013693376 462901603 /nfs/dbraw/zinc/90/16/03/462901603.db2.gz KXHMCRXEONPDHQ-UHFFFAOYSA-N 0 0 329.400 2.114 50 30 EEEARN C=CCNC(=O)NC(=O)CN(CC=C)Cc1ccc(Cl)s1 ZINC000014240917 462920478 /nfs/dbraw/zinc/92/04/78/462920478.db2.gz VPGQXLRCCDPDJE-UHFFFAOYSA-N 0 0 327.837 2.401 50 30 EEEARN CN(CC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000016629209 462984540 /nfs/dbraw/zinc/98/45/40/462984540.db2.gz OXJZZWXYRYEFES-ZDUSSCGKSA-N 0 0 343.408 2.330 50 30 EEEARN CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000017778835 463001494 /nfs/dbraw/zinc/00/14/94/463001494.db2.gz FDOYTASPLREELF-GJOZEXJASA-N 0 0 338.863 2.430 50 30 EEEARN O=C1CS/C(=N\N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000018100289 463005899 /nfs/dbraw/zinc/00/58/99/463005899.db2.gz 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/nfs/dbraw/zinc/20/16/11/463201611.db2.gz KZZLMSNHQMELJO-LBPRGKRZSA-N 0 0 329.747 2.239 50 30 EEEARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1cccc(C#N)c1 ZINC000031584575 463346301 /nfs/dbraw/zinc/34/63/01/463346301.db2.gz OLKJIAUWJDWXJL-MDZDMXLPSA-N 0 0 344.374 2.467 50 30 EEEARN C=CCN(Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@H](C)O ZINC000104990779 463432240 /nfs/dbraw/zinc/43/22/40/463432240.db2.gz QICUQWAEQZEUHI-RYUDHWBXSA-N 0 0 347.484 2.478 50 30 EEEARN COCC1(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)CCC1 ZINC000222387898 464130295 /nfs/dbraw/zinc/13/02/95/464130295.db2.gz LYMZDXVAVWRBRX-IAGOWNOFSA-N 0 0 344.411 2.027 50 30 EEEARN CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@H]1[C@@H]32 ZINC000247526658 464690612 /nfs/dbraw/zinc/69/06/12/464690612.db2.gz NKITVIAMISOQED-BBJIVYBFSA-N 0 0 330.446 2.309 50 30 EEEARN COc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000011530860 523772263 /nfs/dbraw/zinc/77/22/63/523772263.db2.gz LOJKESZLCNLWNO-KZULUSFZSA-N 0 0 348.399 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