smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001070192944 837632505 /nfs/dbraw/zinc/63/25/05/837632505.db2.gz XQKLKKZSDANKSY-CABCVRRESA-N 0 1 356.455 0.998 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ncnc3ccsc32)C[C@@H]1n1ccnn1 ZINC001070206753 837634293 /nfs/dbraw/zinc/63/42/93/837634293.db2.gz RPBZBKKKMJTYBA-OLZOCXBDSA-N 0 1 353.411 0.571 20 30 FCEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070212738 837634665 /nfs/dbraw/zinc/63/46/65/837634665.db2.gz QDYPAYBTJSRKPF-GBOPCIDUSA-N 0 1 361.837 0.899 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@@H]1n1ccnn1 ZINC001070226909 837636404 /nfs/dbraw/zinc/63/64/04/837636404.db2.gz AHZJEJSDRYBXKV-KOLCDFICSA-N 0 1 354.292 0.573 20 30 FCEDMN C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001070964281 837705890 /nfs/dbraw/zinc/70/58/90/837705890.db2.gz AZCPVKLCXJOWMG-HUUCEWRRSA-N 0 1 350.463 0.128 20 30 FCEDMN C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@H](C)CC)C[C@]2(C)C1 ZINC001101129016 844070759 /nfs/dbraw/zinc/07/07/59/844070759.db2.gz WQOUNPMIFJTIEW-LBTNJELSSA-N 0 1 350.463 0.825 20 30 FCEDMN CCN(CC)C(=O)CN1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 ZINC001101135706 844073006 /nfs/dbraw/zinc/07/30/06/844073006.db2.gz VIBXHCITVVDYSG-PBHICJAKSA-N 0 1 352.504 0.892 20 30 FCEDMN CCN(CCC#N)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@]2(C)C1 ZINC001101146612 844078634 /nfs/dbraw/zinc/07/86/34/844078634.db2.gz OLINIQNCHBWKRY-RKVPGOIHSA-N 0 1 350.463 0.564 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@]2(C)C1 ZINC001101240926 844115641 /nfs/dbraw/zinc/11/56/41/844115641.db2.gz JHLKYUSISXCAJN-PXAZEXFGSA-N 0 1 363.849 0.217 20 30 FCEDMN C=CCOCCN1C[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@]2(C)C1 ZINC001101267749 844126049 /nfs/dbraw/zinc/12/60/49/844126049.db2.gz QYQKYYHNJWMYCP-NUJGCVRESA-N 0 1 370.515 0.937 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)Cc3cncs3)C[C@]2(C)C1 ZINC001101273359 844127828 /nfs/dbraw/zinc/12/78/28/844127828.db2.gz FQIMVKHHMBFPGE-IYOUNJFTSA-N 0 1 360.483 0.604 20 30 FCEDMN CC(=NNC(=S)NCC(N)=O)c1cc(Br)c(F)cc1O ZINC000746577646 836190707 /nfs/dbraw/zinc/19/07/07/836190707.db2.gz VXHURBKLRHYXBH-UHFFFAOYSA-N 0 1 363.212 0.967 20 30 FCEDMN C#CCNC(=O)CN1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC000746597498 836191720 /nfs/dbraw/zinc/19/17/20/836191720.db2.gz RJUDOBUGHRIFQU-UHFFFAOYSA-N 0 1 357.336 0.244 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@]2(C)C1 ZINC001101294432 844138022 /nfs/dbraw/zinc/13/80/22/844138022.db2.gz JNCJWGZVBUBBTR-ACJLOTCBSA-N 0 1 362.861 0.822 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)COCC(F)F)C[C@]2(C)C1 ZINC001101312624 844142352 /nfs/dbraw/zinc/14/23/52/844142352.db2.gz CKISKNHMUWAODM-XNJGSVPQSA-N 0 1 359.417 0.739 20 30 FCEDMN Cn1c(N)c(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2Cl)c(=O)n(C)c1=O ZINC000749815078 836387967 /nfs/dbraw/zinc/38/79/67/836387967.db2.gz JILHGOALMCDVNI-UHFFFAOYSA-N 0 1 352.738 0.674 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CC(F)(F)C(F)F)C[C@]2(C)C1 ZINC001101367006 844162088 /nfs/dbraw/zinc/16/20/88/844162088.db2.gz YNMQEXVDGNTBOK-ABAIWWIYSA-N 0 1 363.355 0.807 20 30 FCEDMN C[C@H](CC(=O)OCCc1c[nH]nn1)N=C1NS(=O)(=O)c2ccccc21 ZINC000750712806 836438931 /nfs/dbraw/zinc/43/89/31/836438931.db2.gz VLLPNOTUMBTUAK-SNVBAGLBSA-N 0 1 363.399 0.408 20 30 FCEDMN C[C@H](CC(=O)OCCc1cnn[nH]1)N=C1NS(=O)(=O)c2ccccc21 ZINC000750712806 836438940 /nfs/dbraw/zinc/43/89/40/836438940.db2.gz VLLPNOTUMBTUAK-SNVBAGLBSA-N 0 1 363.399 0.408 20 30 FCEDMN N#CCSCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001064884122 836811453 /nfs/dbraw/zinc/81/14/53/836811453.db2.gz XCHOCPXZWQCRPB-YNEHKIRRSA-N 0 1 363.443 0.114 20 30 FCEDMN C=CCNC(=O)NC(=O)CN1C[C@@H](CNC(=O)C[C@H](C)OC)[C@H](C)C1 ZINC001101804017 844272554 /nfs/dbraw/zinc/27/25/54/844272554.db2.gz KOQLXEDGBIGRDN-HZSPNIEDSA-N 0 1 354.451 0.107 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H]1C ZINC001101817324 844280151 /nfs/dbraw/zinc/28/01/51/844280151.db2.gz MEOXUOABHZUWMY-CHWSQXEVSA-N 0 1 365.396 0.942 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1C[N@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H]1C ZINC001101817324 844280155 /nfs/dbraw/zinc/28/01/55/844280155.db2.gz MEOXUOABHZUWMY-CHWSQXEVSA-N 0 1 365.396 0.942 20 30 FCEDMN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001076812431 838116147 /nfs/dbraw/zinc/11/61/47/838116147.db2.gz GYSBAEMPTNIRQM-FGTMMUONSA-N 0 1 361.873 0.947 20 30 FCEDMN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O ZINC001076812576 838116217 /nfs/dbraw/zinc/11/62/17/838116217.db2.gz MHDSYAJAPIHTFA-FGTMMUONSA-N 0 1 361.873 0.947 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CCCS(=O)(=O)CC)C[C@H]1C ZINC001101964783 844349439 /nfs/dbraw/zinc/34/94/39/844349439.db2.gz YKPOMZJDWNRLJP-OWCLPIDISA-N 0 1 358.504 0.534 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1c(F)cncc1F ZINC001102008866 844371794 /nfs/dbraw/zinc/37/17/94/844371794.db2.gz NXUIVLYSMJUAHA-GHMZBOCLSA-N 0 1 351.357 0.297 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001078210800 839407683 /nfs/dbraw/zinc/40/76/83/839407683.db2.gz QLEZNUJJPJMGBG-OBJOEFQTSA-N 0 1 350.419 0.732 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1cccc(F)c1 ZINC001079211121 839493053 /nfs/dbraw/zinc/49/30/53/839493053.db2.gz RRRYMDXRSDFIOZ-BBWFWOEESA-N 0 1 364.442 0.920 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@@H]2CN(CCNS(=O)(=O)CC)C[C@H]2C)C1 ZINC001102349584 844472499 /nfs/dbraw/zinc/47/24/99/844472499.db2.gz KXRDYHUPHITMKV-HUUCEWRRSA-N 0 1 357.520 0.966 20 30 FCEDMN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080959532 839843941 /nfs/dbraw/zinc/84/39/41/839843941.db2.gz IMOSRXXVKHOGTN-DAXOMENPSA-N 0 1 362.455 0.186 20 30 FCEDMN CCN(CC1CCN(C(=O)CSCC#N)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001081053329 839873770 /nfs/dbraw/zinc/87/37/70/839873770.db2.gz WDEAFBYEDYJZSX-ZIAGYGMSSA-N 0 1 368.459 0.995 20 30 FCEDMN C=CCOCCN1C[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC001102420493 844492744 /nfs/dbraw/zinc/49/27/44/844492744.db2.gz CXBKDLALJOLLSO-OWCLPIDISA-N 0 1 358.504 0.698 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2nc(C)ncc2Cl)[C@H](C)C1 ZINC001102432303 844496832 /nfs/dbraw/zinc/49/68/32/844496832.db2.gz WUHIAMGSAQAVHG-DGCLKSJQSA-N 0 1 363.849 0.486 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2snnc2C(C)C)[C@H](C)C1 ZINC001102476652 844516997 /nfs/dbraw/zinc/51/69/97/844516997.db2.gz VFLYJHIBSMPCJT-CHWSQXEVSA-N 0 1 363.487 0.709 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)CCc2scnc2C)[C@H](C)C1 ZINC001102493465 844527960 /nfs/dbraw/zinc/52/79/60/844527960.db2.gz PGHSIXAXCFTXJU-UKRRQHHQSA-N 0 1 362.499 0.818 20 30 FCEDMN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1NCc1ccccc1C#N ZINC001082927763 840607162 /nfs/dbraw/zinc/60/71/62/840607162.db2.gz RVSISHJZFNVZTQ-UHOFOFEASA-N 0 1 362.455 0.186 20 30 FCEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC001102577210 844571919 /nfs/dbraw/zinc/57/19/19/844571919.db2.gz RXZGHZKVUZFIKR-TZMCWYRMSA-N 0 1 363.911 0.153 20 30 FCEDMN C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](O)C1 ZINC001083539357 841141765 /nfs/dbraw/zinc/14/17/65/841141765.db2.gz SKAJQDCQWBDZPE-WFFHOREQSA-N 0 1 355.236 0.583 20 30 FCEDMN C#CCN1C(=O)C[C@@]2(CCCN(Cc3cnc(SC)nc3N)C2)C1=O ZINC001275796605 861194079 /nfs/dbraw/zinc/19/40/79/861194079.db2.gz WSAQSNHUMAVJNN-QGZVFWFLSA-N 0 1 359.455 0.755 20 30 FCEDMN C=CCCn1cc(C(=O)N[C@@H]2CN(CC3CC(F)(F)C3)C[C@@H]2O)nn1 ZINC001083849010 841499810 /nfs/dbraw/zinc/49/98/10/841499810.db2.gz JMDKAVCPVVFPLD-OCCSQVGLSA-N 0 1 355.389 0.674 20 30 FCEDMN N#Cc1ccc(CN2CC[C@@H]3CCN(C(=O)Cn4ncnn4)C[C@@H]32)s1 ZINC001084941264 841962163 /nfs/dbraw/zinc/96/21/63/841962163.db2.gz YAVDRJYEPJWJCT-DOMZBBRYSA-N 0 1 357.443 0.729 20 30 FCEDMN C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001084978905 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VVXVZDKKRJGONN-JKSUJKDBSA-N 0 1 362.455 0.234 20 30 FCEDMN C=CCN1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094660789 843660623 /nfs/dbraw/zinc/66/06/23/843660623.db2.gz NVAYIBAKIFFOQQ-LSDHHAIUSA-N 0 1 350.444 0.397 20 30 FCEDMN C=CCN1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094673482 843678124 /nfs/dbraw/zinc/67/81/24/843678124.db2.gz IULRFHAKYXCDBU-VBNZEHGJSA-N 0 1 364.471 0.010 20 30 FCEDMN N#CCN1CCN(C(=O)c2[nH]nc3ccccc32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094678276 843686958 /nfs/dbraw/zinc/68/69/58/843686958.db2.gz XRJFSXMPCRMHCK-UONOGXRCSA-N 0 1 359.411 0.010 20 30 FCEDMN C=CCN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C(F)(F)F ZINC001099269263 843998092 /nfs/dbraw/zinc/99/80/92/843998092.db2.gz GHPCPOBHLTZGHS-VXGBXAGGSA-N 0 1 366.405 0.976 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C(F)(F)F ZINC001099271533 843998405 /nfs/dbraw/zinc/99/84/05/843998405.db2.gz XRQOCKWXVPJBQG-NXEZZACHSA-N 0 1 365.333 0.153 20 30 FCEDMN C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F ZINC001099274867 844001127 /nfs/dbraw/zinc/00/11/27/844001127.db2.gz YOPUJESDZQADEB-RNFRBKRXSA-N 0 1 367.715 0.628 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C(F)(F)F ZINC001099279243 844002814 /nfs/dbraw/zinc/00/28/14/844002814.db2.gz AXGZXISBFYMUBG-ZYHUDNBSSA-N 0 1 352.320 0.589 20 30 FCEDMN CCO[C@@H](C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001102971171 844675706 /nfs/dbraw/zinc/67/57/06/844675706.db2.gz SBCBTOXDXWIQDB-BFYDXBDKSA-N 0 1 352.479 0.761 20 30 FCEDMN C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001103303311 844733785 /nfs/dbraw/zinc/73/37/85/844733785.db2.gz GRXUAJYJDLVTBD-ZYHUDNBSSA-N 0 1 354.838 0.926 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@]1(C)CCCOC1 ZINC001103583043 844784169 /nfs/dbraw/zinc/78/41/69/844784169.db2.gz LQMPYDQZSSLPJT-IIDMSEBBSA-N 0 1 350.463 0.517 20 30 FCEDMN C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[n-]2)C1 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COCC#CCN1CC[C@@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@@H]21 ZINC001224111950 856960713 /nfs/dbraw/zinc/96/07/13/856960713.db2.gz WOJMSTRJTHVYKR-CVEARBPZSA-N 0 1 363.483 0.791 20 30 FCEDMN C=CCS(=O)(=O)CCNC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC001224763112 857000772 /nfs/dbraw/zinc/00/07/72/857000772.db2.gz OCGPDRSMCIHWQB-UHFFFAOYSA-N 0 1 350.404 0.267 20 30 FCEDMN CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001230470540 857338539 /nfs/dbraw/zinc/33/85/39/857338539.db2.gz IXHHXVMRXXWFMN-RBSFLKMASA-N 0 1 364.471 0.142 20 30 FCEDMN C=CCCNC(=S)N1CC[C@@H]2CN(CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001247611819 857615221 /nfs/dbraw/zinc/61/52/21/857615221.db2.gz DILJVXIZWIMRAQ-HUUCEWRRSA-N 0 1 354.520 0.548 20 30 FCEDMN CN(C)CC#CCNC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001262271169 858843957 /nfs/dbraw/zinc/84/39/57/858843957.db2.gz PPFIMCPINKPGTI-UHFFFAOYSA-N 0 1 350.444 0.814 20 30 FCEDMN C#CCN1CCC(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C)CC1 ZINC001262876227 859060736 /nfs/dbraw/zinc/06/07/36/859060736.db2.gz LMOGALLLYXTDNV-CYBMUJFWSA-N 0 1 353.492 0.497 20 30 FCEDMN O=C(CCS)N1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NCc2cnc[nH]2)C1 ZINC001269879984 859587565 /nfs/dbraw/zinc/58/75/65/859587565.db2.gz XSCFTZIPTFNILP-OSAQELSMSA-N 0 1 352.460 0.599 20 30 FCEDMN CN(Cc1ncccn1)C(=O)c1[nH]nc2c1CCN(C(=O)CCS)C2 ZINC001269883359 859590003 /nfs/dbraw/zinc/59/00/03/859590003.db2.gz QXBLMORUMKKYAS-UHFFFAOYSA-N 0 1 360.443 0.677 20 30 FCEDMN O=C(CCS)N1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CCN1CC2 ZINC001269953304 859616235 /nfs/dbraw/zinc/61/62/35/859616235.db2.gz MIOBCFKUKNRAOQ-KFWWJZLASA-N 0 1 353.488 0.229 20 30 FCEDMN O=C(CCS)N1CCN(CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001269955657 859618232 /nfs/dbraw/zinc/61/82/32/859618232.db2.gz NHZUXJJSNUJHHK-KRWDZBQOSA-N 0 1 365.503 0.386 20 30 FCEDMN C=CCOCCC(=O)N1CCc2c(n[nH]c2C(=O)N(C)CCOC)C1 ZINC001270648605 859810508 /nfs/dbraw/zinc/81/05/08/859810508.db2.gz NBXHQZQGWZMWNM-UHFFFAOYSA-N 0 1 350.419 0.606 20 30 FCEDMN C=C(C(=O)N1CC2(C1)CC[C@H](C(=O)NCc1cnc[nH]1)O2)C(F)(F)F ZINC001270758639 859839189 /nfs/dbraw/zinc/83/91/89/859839189.db2.gz LKOBJSLOBCJUCP-LLVKDONJSA-N 0 1 358.320 0.904 20 30 FCEDMN N#CCC1CN(C(=O)c2n[nH]c3c2CN(C(=O)[C@@H](O)C(F)(F)F)C3)C1 ZINC001273775613 860592999 /nfs/dbraw/zinc/59/29/99/860592999.db2.gz INRZIGDKOATDFO-LLVKDONJSA-N 0 1 357.292 0.161 20 30 FCEDMN C=CCN1C[C@@]2(CCN(C(=O)c3n[nH]cc3Br)C2)OCC1=O ZINC001274059863 860669422 /nfs/dbraw/zinc/66/94/22/860669422.db2.gz YGKGRDGPICTZME-CQSZACIVSA-N 0 1 369.219 0.802 20 30 FCEDMN C=CCN1CC2(CN(C(=O)c3n[nH]c(C)c3Br)C2)OCC1=O ZINC001274232635 860712381 /nfs/dbraw/zinc/71/23/81/860712381.db2.gz GDRMCXUIMOXFNJ-UHFFFAOYSA-N 0 1 369.219 0.720 20 30 FCEDMN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1n[nH]c(Br)n1 ZINC001274796891 860832609 /nfs/dbraw/zinc/83/26/09/860832609.db2.gz BADKZGSICPUUJG-RKDXNWHRSA-N 0 1 352.192 0.406 20 30 FCEDMN N#CC1(NC(=O)[C@@]23C[C@@H]2CCN3C(=O)CNC(=O)C(F)(F)F)CCC1 ZINC001274887906 860863394 /nfs/dbraw/zinc/86/33/94/860863394.db2.gz AWEHCKPBMFWVFA-LKFCYVNXSA-N 0 1 358.320 0.218 20 30 FCEDMN Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ncc[nH]2)cc1C#N ZINC001279835260 863092200 /nfs/dbraw/zinc/09/22/00/863092200.db2.gz YMBRHXNDSMSFBC-OKILXGFUSA-N 0 1 360.443 0.657 20 30 FCEDMN C[C@@H](C#N)S(=O)(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC3CCN1CC3)C2 ZINC001280298845 863385059 /nfs/dbraw/zinc/38/50/59/863385059.db2.gz ASPWHOSINUVALV-ZFWWWQNUSA-N 0 1 366.487 0.247 20 30 FCEDMN C[C@H](C#N)S(=O)(=O)N1CCN(C2CCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280298869 863385731 /nfs/dbraw/zinc/38/57/31/863385731.db2.gz BBNZIOPUHLGPDA-RHSMWYFYSA-N 0 1 368.503 0.827 20 30 FCEDMN C[C@@H](C#N)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CCN1CC2 ZINC001280299841 863388337 /nfs/dbraw/zinc/38/83/37/863388337.db2.gz PGSCWEVZHRYJPS-QCEMKRCNSA-N 0 1 366.487 0.388 20 30 FCEDMN CCCC[C@H](ON=C(C)C)C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001304085496 866494836 /nfs/dbraw/zinc/49/48/36/866494836.db2.gz BXYSXZCFYYSTRP-NSHDSACASA-N 0 1 359.452 0.937 20 30 FCEDMN C#CCSCCn1nnnc1N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001352340076 867103028 /nfs/dbraw/zinc/10/30/28/867103028.db2.gz QMVGJGGTCLDQBK-GFCCVEGCSA-N 0 1 362.381 0.687 20 30 FCEDMN CN(C)[C@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001311877412 867124024 /nfs/dbraw/zinc/12/40/24/867124024.db2.gz KWYLQKZZSHTVCB-KNCOVGOOSA-N 0 1 354.476 0.439 20 30 FCEDMN CN(C)CC#CCNC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001312400782 867162026 /nfs/dbraw/zinc/16/20/26/867162026.db2.gz NFHAGQXZICEBDT-LBPRGKRZSA-N 0 1 350.369 0.934 20 30 FCEDMN CC(C)c1nc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n[nH]1 ZINC001312757775 867195332 /nfs/dbraw/zinc/19/53/32/867195332.db2.gz SQQFDHOAQQXHMI-HZMBPMFUSA-N 0 1 352.420 0.008 20 30 FCEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@H](O)CN2CCCC2=O)c(F)c1 ZINC001322899081 868984452 /nfs/dbraw/zinc/98/44/52/868984452.db2.gz UHOGIPZLESEIBQ-JTQLQIEISA-N 0 1 359.354 0.098 20 30 FCEDMN C#CCSCCNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC001323788718 869357958 /nfs/dbraw/zinc/35/79/58/869357958.db2.gz UPEJHEFAIJITOV-UHFFFAOYSA-N 0 1 351.447 0.856 20 30 FCEDMN N#Cc1ccc(OCC(=O)N2CCNCC2)c(I)c1 ZINC001326052459 870153867 /nfs/dbraw/zinc/15/38/67/870153867.db2.gz RSUJOZMCUHQQDI-UHFFFAOYSA-N 0 1 371.178 0.973 20 30 FCEDMN C#CCSCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001326849941 870530489 /nfs/dbraw/zinc/53/04/89/870530489.db2.gz FZXYDQTZUXPONP-UHFFFAOYSA-N 0 1 369.556 0.947 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCS(=O)(=O)C2)nc1 ZINC001329144041 871845722 /nfs/dbraw/zinc/84/57/22/871845722.db2.gz YDGIEXFITRLGAI-ZDUSSCGKSA-N 0 1 357.457 0.141 20 30 FCEDMN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1 ZINC001329832990 872293914 /nfs/dbraw/zinc/29/39/14/872293914.db2.gz XWNAYWUDSGFZGL-AWEZNQCLSA-N 0 1 359.411 0.607 20 30 FCEDMN N#Cc1ccc(I)c(OCC(=O)N2CCNCC2)c1 ZINC001332134208 873387903 /nfs/dbraw/zinc/38/79/03/873387903.db2.gz CNBWPPCYGAHSLL-UHFFFAOYSA-N 0 1 371.178 0.973 20 30 FCEDMN C#CCCCCC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573282835 946700628 /nfs/dbraw/zinc/70/06/28/946700628.db2.gz BIMDNBZWVIHLSV-AWEZNQCLSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573286599 946811911 /nfs/dbraw/zinc/81/19/11/946811911.db2.gz FYRDGPOPEMDJQI-GFCCVEGCSA-N 0 1 370.417 0.028 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001573286809 946822014 /nfs/dbraw/zinc/82/20/14/946822014.db2.gz BJADOSTVDIRQFM-NSHDSACASA-N 0 1 363.385 0.288 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)nc1 ZINC001573288124 946859440 /nfs/dbraw/zinc/85/94/40/946859440.db2.gz OCIDHFLTZWZJKK-KRWDZBQOSA-N 0 1 374.408 0.680 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573288901 946879112 /nfs/dbraw/zinc/87/91/12/946879112.db2.gz YYQWJVKLQHOCPU-KGLIPLIRSA-N 0 1 369.429 0.551 20 30 FCEDMN C#CCOCCC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573289949 946894967 /nfs/dbraw/zinc/89/49/67/946894967.db2.gz RSUDWCFQYTXZID-SNAWJCMRSA-N 0 1 355.402 0.116 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573290024 946897928 /nfs/dbraw/zinc/89/79/28/946897928.db2.gz SZFSJNHDQLPDTB-INIZCTEOSA-N 0 1 354.414 0.597 20 30 FCEDMN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC000824937793 946998445 /nfs/dbraw/zinc/99/84/45/946998445.db2.gz RGUUJXGVKMTWPJ-VHSXEESVSA-N 0 1 357.378 0.339 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573567319 947043596 /nfs/dbraw/zinc/04/35/96/947043596.db2.gz MAHVODIFTGWQQK-OLZOCXBDSA-N 0 1 354.418 0.884 20 30 FCEDMN C=C1CCC(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573296739 947054736 /nfs/dbraw/zinc/05/47/36/947054736.db2.gz ZDMNHQTVTRVFKJ-ZDUSSCGKSA-N 0 1 372.433 0.056 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573573125 947119316 /nfs/dbraw/zinc/11/93/16/947119316.db2.gz MQKYHQGKRQMIPN-YPMHNXCESA-N 0 1 369.433 0.715 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573304506 947137578 /nfs/dbraw/zinc/13/75/78/947137578.db2.gz ABTGKZKUMXEIDN-LBPRGKRZSA-N 0 1 356.434 0.941 20 30 FCEDMN C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573575370 947139434 /nfs/dbraw/zinc/13/94/34/947139434.db2.gz XZESUEBTNBTFSP-YEJSDXFRSA-N 0 1 353.390 0.432 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573577454 947167902 /nfs/dbraw/zinc/16/79/02/947167902.db2.gz PSIVZFFOSSUHNG-BQBZGAKWSA-N 0 1 352.811 0.831 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573578129 947182818 /nfs/dbraw/zinc/18/28/18/947182818.db2.gz YZRYSOGNHWVOOR-PIGZYNQJSA-N 0 1 373.392 0.218 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573308955 947186637 /nfs/dbraw/zinc/18/66/37/947186637.db2.gz AAPHAZWAVILXBR-KRWDZBQOSA-N 0 1 371.445 0.709 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001573587211 947302023 /nfs/dbraw/zinc/30/20/23/947302023.db2.gz XZXPTKJLYAEHKE-JWFUOXDNSA-N 0 1 355.377 0.712 20 30 FCEDMN C=CCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573327946 947400578 /nfs/dbraw/zinc/40/05/78/947400578.db2.gz OPAKDKAXBMLMEZ-UHFFFAOYSA-N 0 1 358.406 0.070 20 30 FCEDMN C=CCOCCCC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573348185 947582228 /nfs/dbraw/zinc/58/22/28/947582228.db2.gz NQRLJNDPRRWQRO-CYBMUJFWSA-N 0 1 372.433 0.464 20 30 FCEDMN C[C@H](N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001575249269 949092599 /nfs/dbraw/zinc/09/25/99/949092599.db2.gz YQESOKJNNWYHCK-QMMMGPOBSA-N 0 1 353.312 0.601 20 30 FCEDMN N#Cc1ncc(N2CCC(CO)(C(F)(F)F)CC2)nc1-c1nn[nH]n1 ZINC001570963304 950072893 /nfs/dbraw/zinc/07/28/93/950072893.db2.gz LQQZUNHPOJVWBF-UHFFFAOYSA-N 0 1 354.296 0.670 20 30 FCEDMN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001574983082 950202822 /nfs/dbraw/zinc/20/28/22/950202822.db2.gz KPCHBKMHYNGOSZ-JTQLQIEISA-N 0 1 351.374 0.361 20 30 FCEDMN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753774 950539802 /nfs/dbraw/zinc/53/98/02/950539802.db2.gz RWPJOTGGTZGPCJ-JTQLQIEISA-N 0 1 351.374 0.456 20 30 FCEDMN N#Cc1cc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c[nH]1 ZINC001571009549 951211455 /nfs/dbraw/zinc/21/14/55/951211455.db2.gz NCQXRXJXTIDGMU-UHFFFAOYSA-N 0 1 364.373 0.209 20 30 FCEDMN N#Cc1ncc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc1-c1nn[n-]n1 ZINC001571059076 951916513 /nfs/dbraw/zinc/91/65/13/951916513.db2.gz NZNJJDDTVWMSPK-ZIAGYGMSSA-N 0 1 369.433 0.708 20 30 FCEDMN CS(=O)(=O)Cc1cccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001571069385 952028995 /nfs/dbraw/zinc/02/89/95/952028995.db2.gz HCEGIYLJTDNSCS-UHFFFAOYSA-N 0 1 370.398 0.685 20 30 FCEDMN CC(C)(CNc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1COCC12OCCO2 ZINC001571094763 952278912 /nfs/dbraw/zinc/27/89/12/952278912.db2.gz XMGHMNCGKDAAPF-NSHDSACASA-N 0 1 372.389 0.356 20 30 FCEDMN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)CC#N)ccc1F ZINC001593699432 954098565 /nfs/dbraw/zinc/09/85/65/954098565.db2.gz GXZVDYNBVFUQOT-UHFFFAOYSA-N 0 1 371.390 0.211 20 30 FCEDMN COC(=O)C1CC2(C1)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H]2C(=O)[O-] ZINC001593818793 955012271 /nfs/dbraw/zinc/01/22/71/955012271.db2.gz BZTDHONDRNBVTH-YYHKSVKZSA-N 0 1 371.393 0.670 20 30 FCEDMN COC(=O)C1CC2(C1)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H]2C(=O)[O-] ZINC001593818793 955012280 /nfs/dbraw/zinc/01/22/80/955012280.db2.gz BZTDHONDRNBVTH-YYHKSVKZSA-N 0 1 371.393 0.670 20 30 FCEDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC001593967272 956566454 /nfs/dbraw/zinc/56/64/54/956566454.db2.gz SGUAALYJJXYAJD-CRAIPNDOSA-N 0 1 366.462 0.102 20 30 FCEDMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC001593967278 956566615 /nfs/dbraw/zinc/56/66/15/956566615.db2.gz SGUAALYJJXYAJD-QAPCUYQASA-N 0 1 366.462 0.102 20 30 FCEDMN C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001588420226 958201656 /nfs/dbraw/zinc/20/16/56/958201656.db2.gz QYMJEOBZCFAEIU-INIZCTEOSA-N 0 1 373.453 0.543 20 30 FCEDMN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001588461581 983490509 /nfs/dbraw/zinc/49/05/09/983490509.db2.gz UFOJEAKDTWEREN-UHFFFAOYSA-N 0 1 360.414 0.461 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC ZINC001588463859 983492792 /nfs/dbraw/zinc/49/27/92/983492792.db2.gz PNNHGPTYLFBEOU-UHFFFAOYSA-N 0 1 368.411 0.405 20 30 FCEDMN C=C(C)C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC001588540294 983603092 /nfs/dbraw/zinc/60/30/92/983603092.db2.gz CITUYZYBWKHZCS-LSDHHAIUSA-N 0 1 367.446 0.235 20 30 FCEDMN C=C[C@@H](C(=O)[O-])[N@H+]1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588663403 983794551 /nfs/dbraw/zinc/79/45/51/983794551.db2.gz FLSQKMGDJLODKJ-NEPJUHHUSA-N 0 1 354.403 0.968 20 30 FCEDMN C=C[C@H](C(=O)[O-])[N@H+]1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588663405 983794697 /nfs/dbraw/zinc/79/46/97/983794697.db2.gz FLSQKMGDJLODKJ-NWDGAFQWSA-N 0 1 354.403 0.968 20 30 FCEDMN C=CCOC[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC001588855183 984391281 /nfs/dbraw/zinc/39/12/81/984391281.db2.gz BILTUYRBSJUYGO-KKUMJFAQSA-N 0 1 350.419 0.227 20 30 FCEDMN C=CCOC[C@@H](NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC001588856413 984399838 /nfs/dbraw/zinc/39/98/38/984399838.db2.gz YUURPTWZDQDLLF-VQIMIIECSA-N 0 1 362.426 0.786 20 30 FCEDMN C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCCO1 ZINC001594527983 986092755 /nfs/dbraw/zinc/09/27/55/986092755.db2.gz LCFVCLANMQPLOU-CQSZACIVSA-N 0 1 352.435 0.887 20 30 FCEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001589335923 986215411 /nfs/dbraw/zinc/21/54/11/986215411.db2.gz URXPRZBYPOBZHY-QWHCGFSZSA-N 0 1 374.397 0.391 20 30 FCEDMN CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC001590948737 990999126 /nfs/dbraw/zinc/99/91/26/990999126.db2.gz BYBMISWQHQEZEM-CABCVRRESA-N 0 1 368.503 0.428 20 30 FCEDMN CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)CC1 ZINC001590948716 990999196 /nfs/dbraw/zinc/99/91/96/990999196.db2.gz AYZMCMRQXBGLGN-BZUAXINKSA-N 0 1 350.463 0.864 20 30 FCEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001599712460 991395467 /nfs/dbraw/zinc/39/54/67/991395467.db2.gz FANRHRYUCCTKKC-FZKQIMNGSA-N 0 1 361.398 0.852 20 30 FCEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001599712460 991395477 /nfs/dbraw/zinc/39/54/77/991395477.db2.gz FANRHRYUCCTKKC-FZKQIMNGSA-N 0 1 361.398 0.852 20 30 FCEDMN C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001598621792 994017756 /nfs/dbraw/zinc/01/77/56/994017756.db2.gz XDACMXJNFHCNNS-NSHDSACASA-N 0 1 357.819 0.849 20 30 FCEDMN C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001598621792 994017760 /nfs/dbraw/zinc/01/77/60/994017760.db2.gz XDACMXJNFHCNNS-NSHDSACASA-N 0 1 357.819 0.849 20 30 FCEDMN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C(=O)[O-] ZINC001598821868 996337288 /nfs/dbraw/zinc/33/72/88/996337288.db2.gz MZDXTNPGCAZIBA-VXGBXAGGSA-N 0 1 365.773 0.956 20 30 FCEDMN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C(=O)[O-] ZINC001598821868 996337285 /nfs/dbraw/zinc/33/72/85/996337285.db2.gz MZDXTNPGCAZIBA-VXGBXAGGSA-N 0 1 365.773 0.956 20 30 FCEDMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC001599380984 996845690 /nfs/dbraw/zinc/84/56/90/996845690.db2.gz OWVHJPLHIXHQPO-SUMWQHHRSA-N 0 1 350.371 0.484 20 30 FCEDMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000264859293 530070671 /nfs/dbraw/zinc/07/06/71/530070671.db2.gz PXUDUDKBWIHHSQ-MRXNPFEDSA-N 0 1 357.458 0.788 20 30 FCEDMN N#Cc1ccccc1OCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265360666 210107084 /nfs/dbraw/zinc/10/70/84/210107084.db2.gz MHDUTFNHIJUIKQ-HOTGVXAUSA-N 0 1 365.455 0.024 20 30 FCEDMN C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C[C@H](C)N1 ZINC000331835866 215054080 /nfs/dbraw/zinc/05/40/80/215054080.db2.gz ORVHDLXOYMTSRM-VBQJREDUSA-N 0 1 356.426 0.667 20 30 FCEDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283997298 213051137 /nfs/dbraw/zinc/05/11/37/213051137.db2.gz MWOVWQUOOKSZGF-OAHLLOKOSA-N 0 1 370.453 0.886 20 30 FCEDMN N#Cc1ncccc1S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000277161007 212335642 /nfs/dbraw/zinc/33/56/42/212335642.db2.gz LRUDPADPFZSUOI-MRXNPFEDSA-N 0 1 372.450 0.998 20 30 FCEDMN CC(C)[C@@H](NS(=O)(=O)c1cccnc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000276947788 212309634 /nfs/dbraw/zinc/30/96/34/212309634.db2.gz BKEKQOXSZMRUCQ-LLVKDONJSA-N 0 1 374.386 0.797 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H](C(=O)N3CCO[C@@H](c4nn[nH]n4)C3)C2)c(F)c1 ZINC000376081475 217354325 /nfs/dbraw/zinc/35/43/25/217354325.db2.gz QEZMMFXIKGHJND-IUODEOHRSA-N 0 1 371.376 0.637 20 30 FCEDMN N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCNCC3)CC2)c(Cl)c1 ZINC000423498194 247036891 /nfs/dbraw/zinc/03/68/91/247036891.db2.gz HSSPGZKOPIJFAV-UHFFFAOYSA-N 0 1 361.833 0.292 20 30 FCEDMN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[C@@H](C)N1 ZINC000423676750 247106562 /nfs/dbraw/zinc/10/65/62/247106562.db2.gz JMYQDHIIMYXEJE-UMVBOHGHSA-N 0 1 357.414 0.142 20 30 FCEDMN C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H](C)CN1 ZINC000423625739 247080524 /nfs/dbraw/zinc/08/05/24/247080524.db2.gz GFTREQWLXXGZRD-ZIAGYGMSSA-N 0 1 373.432 0.555 20 30 FCEDMN C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H](C)CN1 ZINC000423634699 247085374 /nfs/dbraw/zinc/08/53/74/247085374.db2.gz QXTFKSWOTAJIFI-NUJGCVRESA-N 0 1 369.469 0.432 20 30 FCEDMN Cn1cc(CN2Cc3n[nH]c(=O)n3C[C@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000424211259 247178100 /nfs/dbraw/zinc/17/81/00/247178100.db2.gz XKXYINMIMJKBJW-ZDUSSCGKSA-N 0 1 358.402 0.920 20 30 FCEDMN CN(CC(=O)N1CC[C@H](c2nc[nH]n2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000425057716 247287366 /nfs/dbraw/zinc/28/73/66/247287366.db2.gz BKBWYZBLAJIUGC-ZDUSSCGKSA-N 0 1 374.426 0.313 20 30 FCEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425066823 247289678 /nfs/dbraw/zinc/28/96/78/247289678.db2.gz PWCOOFDZIKXXFY-YPMHNXCESA-N 0 1 374.426 0.359 20 30 FCEDMN C=CCn1cc(CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)nn1 ZINC000425404923 247335892 /nfs/dbraw/zinc/33/58/92/247335892.db2.gz MNPDHPDXKZTNQV-UHFFFAOYSA-N 0 1 370.461 0.610 20 30 FCEDMN COC[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H]1CCCO1 ZINC000434790806 247949178 /nfs/dbraw/zinc/94/91/78/247949178.db2.gz YZFDIOOXLLEPIJ-ULQDDVLXSA-N 0 1 352.479 0.462 20 30 FCEDMN N#Cc1cccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000440360633 248177907 /nfs/dbraw/zinc/17/79/07/248177907.db2.gz VUGIOXFZEVRVLS-HNNXBMFYSA-N 0 1 362.455 0.391 20 30 FCEDMN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000440653854 248201711 /nfs/dbraw/zinc/20/17/11/248201711.db2.gz WSBRZIVBISWHLB-HZPDHXFCSA-N 0 1 354.472 0.908 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000443232261 248313655 /nfs/dbraw/zinc/31/36/55/248313655.db2.gz BULYJGGFIWOVRF-GOSISDBHSA-N 0 1 372.450 0.869 20 30 FCEDMN CCN(CC)CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000271101816 211335287 /nfs/dbraw/zinc/33/52/87/211335287.db2.gz YOYCZGKDJUFTPM-CQSZACIVSA-N 0 1 352.460 0.857 20 30 FCEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270175587 211162155 /nfs/dbraw/zinc/16/21/55/211162155.db2.gz KYODRUCLEDEGKM-AWEZNQCLSA-N 0 1 355.442 0.199 20 30 FCEDMN C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21)C(=O)OC ZINC000481790615 250361296 /nfs/dbraw/zinc/36/12/96/250361296.db2.gz SAXMXFALMMSPQP-RISCZKNCSA-N 0 1 374.397 0.542 20 30 FCEDMN CCN1CCN([C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000106920974 208238041 /nfs/dbraw/zinc/23/80/41/208238041.db2.gz GPJNOMWDYOIKBJ-SFHVURJKSA-N 0 1 369.469 0.526 20 30 FCEDMN COCCN(C)S(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000111329288 208278077 /nfs/dbraw/zinc/27/80/77/208278077.db2.gz LPFYVIRDFRZXFP-UHFFFAOYSA-N 0 1 354.476 0.745 20 30 FCEDMN 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0.363 20 30 FCEDMN C#CCCCC(=O)N(Cc1cn[nH]n1)C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001574850774 1271600296 /nfs/dbraw/zinc/60/02/96/1271600296.db2.gz VFNDEKDGAQTRRJ-OAHLLOKOSA-N 0 1 374.489 0.878 20 30 FCEDMN C#CCCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001574867523 1271618545 /nfs/dbraw/zinc/61/85/45/1271618545.db2.gz VKGZQSGCZQHPHM-SFHVURJKSA-N 0 1 361.446 0.401 20 30 FCEDMN C#CCCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001574867523 1271618554 /nfs/dbraw/zinc/61/85/54/1271618554.db2.gz VKGZQSGCZQHPHM-SFHVURJKSA-N 0 1 361.446 0.401 20 30 FCEDMN C#CCN(C(=O)/C(C)=C/C)C1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001574895212 1271656326 /nfs/dbraw/zinc/65/63/26/1271656326.db2.gz QNTXIWZOXNKMCW-LHHJGKSTSA-N 0 1 358.446 0.313 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C)n1C[C@H]1CCC2(C1)OCCO2 ZINC001574953959 1271684565 /nfs/dbraw/zinc/68/45/65/1271684565.db2.gz FQLSFOMINDQGMS-AWEZNQCLSA-N 0 1 357.418 0.888 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C2CC2)n1CC(C)(C)C(=O)NC ZINC001574954979 1271684704 /nfs/dbraw/zinc/68/47/04/1271684704.db2.gz PSMSOXPLUBNGMI-UHFFFAOYSA-N 0 1 356.434 0.686 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC2CCCC2)n1CC(=O)N(C)C ZINC001574967919 1271685543 /nfs/dbraw/zinc/68/55/43/1271685543.db2.gz ZXMBXFNEKKCTBN-UHFFFAOYSA-N 0 1 370.461 0.857 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC)n1Cc1cccc(C(N)=O)c1 ZINC001574966492 1271685681 /nfs/dbraw/zinc/68/56/81/1271685681.db2.gz DHWZJPLCEHTIHO-UHFFFAOYSA-N 0 1 364.413 0.746 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc([C@H]2CCC(=O)N2)n1CCOCC ZINC001574955693 1271686061 /nfs/dbraw/zinc/68/60/61/1271686061.db2.gz WMDVQZJOBBVHND-CYBMUJFWSA-N 0 1 358.406 0.024 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC)n1C[C@H](C)N1CCOCC1 ZINC001574967511 1271686603 /nfs/dbraw/zinc/68/66/03/1271686603.db2.gz TWXIUKHIESPOMK-AWEZNQCLSA-N 0 1 358.450 0.319 20 30 FCEDMN C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)CCCc1c[nH]nn1 ZINC001574986299 1271688557 /nfs/dbraw/zinc/68/85/57/1271688557.db2.gz YZYYDVOLFHWDNS-ZBFHGGJFSA-N 0 1 360.462 0.188 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001575004742 1271689763 /nfs/dbraw/zinc/68/97/63/1271689763.db2.gz KUBRBYRDFWONPZ-ZDUSSCGKSA-N 0 1 359.430 0.225 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001575004742 1271689769 /nfs/dbraw/zinc/68/97/69/1271689769.db2.gz KUBRBYRDFWONPZ-ZDUSSCGKSA-N 0 1 359.430 0.225 20 30 FCEDMN C#CCNC(=O)CN1CCC([C@H](C)NC(=O)CCCCc2c[nH]nn2)CC1 ZINC001575004600 1271690007 /nfs/dbraw/zinc/69/00/07/1271690007.db2.gz GRAXEIQJQGZZJQ-HNNXBMFYSA-N 0 1 374.489 0.484 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC(N(C)C(=O)CCCCCc2cn[nH]n2)C1 ZINC001575004842 1271691161 /nfs/dbraw/zinc/69/11/61/1271691161.db2.gz NORLSQUAMVXQRV-AWEZNQCLSA-N 0 1 361.446 0.615 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)OCc2c[nH]nn2)cn1 ZINC001575021820 1271695591 /nfs/dbraw/zinc/69/55/91/1271695591.db2.gz KHKJCPZDUADDTR-VXGBXAGGSA-N 0 1 356.386 0.021 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(CCc2c[nH]nn2)CCO3)cn1 ZINC001575021495 1271696383 /nfs/dbraw/zinc/69/63/83/1271696383.db2.gz GRUJYHYIPDQEAH-IBGZPJMESA-N 0 1 366.425 0.341 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)CCCc3c[nH]nn3)C2)cn1 ZINC001575021652 1271696606 /nfs/dbraw/zinc/69/66/06/1271696606.db2.gz IOUXHDLYLSNMOE-MRXNPFEDSA-N 0 1 352.398 0.535 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)CCCc3cnn[nH]3)C2)cn1 ZINC001575021652 1271696614 /nfs/dbraw/zinc/69/66/14/1271696614.db2.gz IOUXHDLYLSNMOE-MRXNPFEDSA-N 0 1 352.398 0.535 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)nc1 ZINC001575022323 1271696750 /nfs/dbraw/zinc/69/67/50/1271696750.db2.gz OBMCPNJJLFLFIU-HNNXBMFYSA-N 0 1 352.398 0.535 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)nc1 ZINC001575022323 1271696757 /nfs/dbraw/zinc/69/67/57/1271696757.db2.gz OBMCPNJJLFLFIU-HNNXBMFYSA-N 0 1 352.398 0.535 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCN(C)C(=O)CCOCc2c[nH]nn2)cn1 ZINC001575022994 1271698447 /nfs/dbraw/zinc/69/84/47/1271698447.db2.gz XEYFOTCMIVWLJJ-UHFFFAOYSA-N 0 1 370.413 0.318 20 30 FCEDMN C=C(C)CN1CC(N2CCN(C(=O)c3ccc(-c4cn[nH]n4)cn3)CC2)C1 ZINC001575048916 1271700315 /nfs/dbraw/zinc/70/03/15/1271700315.db2.gz SONZKGBLDXOOAC-UHFFFAOYSA-N 0 1 367.457 0.885 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CC[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001575066129 1271705777 /nfs/dbraw/zinc/70/57/77/1271705777.db2.gz OUPPKGVANVAFBU-DZGCQCFKSA-N 0 1 360.462 0.556 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001575066437 1271706736 /nfs/dbraw/zinc/70/67/36/1271706736.db2.gz SPENPSXRAXVUQL-ZBFHGGJFSA-N 0 1 374.489 0.946 20 30 FCEDMN C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C[C@@H]1O ZINC001575066947 1271706813 /nfs/dbraw/zinc/70/68/13/1271706813.db2.gz ZWWLHADOZIRKHK-CABCVRRESA-N 0 1 370.413 0.380 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575072575 1271707353 /nfs/dbraw/zinc/70/73/53/1271707353.db2.gz KDPQFXFDJKITQV-SGTLLEGYSA-N 0 1 372.429 0.818 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(CCc2c[nH]nn2)CCO1 ZINC001575072758 1271707945 /nfs/dbraw/zinc/70/79/45/1271707945.db2.gz LHTXUWWPKXGXKI-WBVHZDCISA-N 0 1 351.451 0.393 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCCc2c[nH]nn2)CC1 ZINC001575072746 1271708338 /nfs/dbraw/zinc/70/83/38/1271708338.db2.gz LHHSHOZAGMMQQY-KDOFPFPSSA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCCc2cnn[nH]2)CC1 ZINC001575072746 1271708346 /nfs/dbraw/zinc/70/83/46/1271708346.db2.gz LHHSHOZAGMMQQY-KDOFPFPSSA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001575074611 1271710957 /nfs/dbraw/zinc/71/09/57/1271710957.db2.gz QHGAFLJLFRGJEN-YJBOKZPZSA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575075709 1271711907 /nfs/dbraw/zinc/71/19/07/1271711907.db2.gz VFDNCBGHJODPHD-LXIYXOSZSA-N 0 1 370.413 0.571 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H]2CN(CC(=O)NCc3cn[nH]n3)C[C@H]2C)CCC1 ZINC001575084805 1271713516 /nfs/dbraw/zinc/71/35/16/1271713516.db2.gz DHHJUWZBAWCYSY-HUUCEWRRSA-N 0 1 374.489 0.851 20 30 FCEDMN C=CCCC(=O)NCC[C@H](C)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575087700 1271714103 /nfs/dbraw/zinc/71/41/03/1271714103.db2.gz KMRYLOSPWQUSOM-AWEZNQCLSA-N 0 1 362.478 0.994 20 30 FCEDMN C=CCC(CC=C)C(=O)NC1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575085844 1271714162 /nfs/dbraw/zinc/71/41/62/1271714162.db2.gz QQECABQUTSAFQE-KRWDZBQOSA-N 0 1 372.473 0.865 20 30 FCEDMN C=CCCC(=O)NCC1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001575087928 1271716404 /nfs/dbraw/zinc/71/64/04/1271716404.db2.gz QRRRMPUJRRVNHR-UHFFFAOYSA-N 0 1 360.462 0.558 20 30 FCEDMN C=CCCC(=O)NC/C=C\CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575088160 1271717199 /nfs/dbraw/zinc/71/71/99/1271717199.db2.gz XGXLUZBUEQBATQ-PLNGDYQASA-N 0 1 360.462 0.772 20 30 FCEDMN C=CCNC(=O)CN1CCCC2(CN(C(=O)CCCCc3cn[nH]n3)C2)C1 ZINC001575103283 1271718381 /nfs/dbraw/zinc/71/83/81/1271718381.db2.gz ACPHHTQFJYXZFU-UHFFFAOYSA-N 0 1 374.489 0.744 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575104133 1271721744 /nfs/dbraw/zinc/72/17/44/1271721744.db2.gz NENOIULHHPAKMN-LBPRGKRZSA-N 0 1 369.429 0.314 20 30 FCEDMN C=CCN1CCN([C@H]2CCCN(C(=O)CCCCc3cn[nH]n3)C2)C(=O)C1 ZINC001575104556 1271722318 /nfs/dbraw/zinc/72/23/18/1271722318.db2.gz SCZKWVXHWLXHCD-KRWDZBQOSA-N 0 1 374.489 0.839 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@H]1C ZINC001575110508 1271724023 /nfs/dbraw/zinc/72/40/23/1271724023.db2.gz RWSUZHKVSYWJMU-HUUCEWRRSA-N 0 1 363.462 0.931 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@H]1C ZINC001575110508 1271724030 /nfs/dbraw/zinc/72/40/30/1271724030.db2.gz RWSUZHKVSYWJMU-HUUCEWRRSA-N 0 1 363.462 0.931 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575117210 1271731558 /nfs/dbraw/zinc/73/15/58/1271731558.db2.gz HXLUUBRBQHTEKC-WBVHZDCISA-N 0 1 374.489 0.831 20 30 FCEDMN C[C@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCOCc1c[nH]nn1 ZINC001575176373 1271765252 /nfs/dbraw/zinc/76/52/52/1271765252.db2.gz GFASFPMJEPELJM-WPXLMEDKSA-N 0 1 374.445 0.899 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccccc2-c2cn[nH]n2)C1 ZINC001575176709 1271765704 /nfs/dbraw/zinc/76/57/04/1271765704.db2.gz HFZJWWYVKTVNQA-MRVWCRGKSA-N 0 1 352.398 0.937 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C1(Cc2c[nH]nn2)CCCCC1 ZINC001575179349 1271769084 /nfs/dbraw/zinc/76/90/84/1271769084.db2.gz UKAXKZUICNRRST-TZMCWYRMSA-N 0 1 362.434 0.051 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C1(Cc2cnn[nH]2)CCCCC1 ZINC001575179349 1271769095 /nfs/dbraw/zinc/76/90/95/1271769095.db2.gz UKAXKZUICNRRST-TZMCWYRMSA-N 0 1 362.434 0.051 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)CCOCc1c[nH]nn1)C(C)(C)C ZINC001575179408 1271770051 /nfs/dbraw/zinc/77/00/51/1271770051.db2.gz UUZPXYZCICHOCB-WCQYABFASA-N 0 1 350.423 0.518 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575245140 1271849385 /nfs/dbraw/zinc/84/93/85/1271849385.db2.gz AQAJMALQGXNLTI-ZDUSSCGKSA-N 0 1 370.413 0.123 20 30 FCEDMN CC(C)(C)n1cnc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)n1 ZINC001575290361 1271874028 /nfs/dbraw/zinc/87/40/28/1271874028.db2.gz OLRUIZVPUZWYJX-UHFFFAOYSA-N 0 1 371.449 0.782 20 30 FCEDMN CC(C)C#CC(=O)NCC1(NC(=O)C2CCN(Cc3c[nH]nn3)CC2)CC1 ZINC001575318625 1271918355 /nfs/dbraw/zinc/91/83/55/1271918355.db2.gz NPFXBGWBTBDVCY-UHFFFAOYSA-N 0 1 372.473 0.441 20 30 FCEDMN CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001575319065 1271921579 /nfs/dbraw/zinc/92/15/79/1271921579.db2.gz XYUJZYRZNQSPSJ-HNNXBMFYSA-N 0 1 358.446 0.194 20 30 FCEDMN CC(C)C#CC(=O)NCC1(NC(=O)c2ccc(-c3cn[nH]n3)cn2)CC1 ZINC001575319202 1271922568 /nfs/dbraw/zinc/92/25/68/1271922568.db2.gz ZXTCTPBIMLDISE-UHFFFAOYSA-N 0 1 352.398 0.905 20 30 FCEDMN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575329558 1271941842 /nfs/dbraw/zinc/94/18/42/1271941842.db2.gz BJXBDFGDLSNTKU-VHSXEESVSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)[C@@H](CNC(=O)CCCc1c[nH]nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575340335 1271960345 /nfs/dbraw/zinc/96/03/45/1271960345.db2.gz XLACZSHZUMTION-OAHLLOKOSA-N 0 1 357.418 0.898 20 30 FCEDMN CC(C)[C@@H](CNC(=O)CCCc1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575340335 1271960358 /nfs/dbraw/zinc/96/03/58/1271960358.db2.gz XLACZSHZUMTION-OAHLLOKOSA-N 0 1 357.418 0.898 20 30 FCEDMN C[C@@H](CNC(=O)C#CC1CC1)N(C)C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575565518 1272199435 /nfs/dbraw/zinc/19/94/35/1272199435.db2.gz DGCRTUMCYVYNHH-AWEZNQCLSA-N 0 1 372.473 0.393 20 30 FCEDMN C[C@@H](CNC(=O)c1ccc(-c2c[nH]nn2)nc1)N(C)c1ccc(C#N)nn1 ZINC001575602089 1272226739 /nfs/dbraw/zinc/22/67/39/1272226739.db2.gz JJLWINDICCLEJF-NSHDSACASA-N 0 1 363.385 0.783 20 30 FCEDMN C[C@@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575604449 1272229175 /nfs/dbraw/zinc/22/91/75/1272229175.db2.gz UKCMWNPSQUYIRO-JTQLQIEISA-N 0 1 364.369 0.615 20 30 FCEDMN C[C@@H](CNc1ncccc1C#N)N(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575618956 1272237944 /nfs/dbraw/zinc/23/79/44/1272237944.db2.gz FUOPGJABAJVNHR-BBRMVZONSA-N 0 1 368.445 0.995 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 ZINC001575822419 1272481848 /nfs/dbraw/zinc/48/18/48/1272481848.db2.gz JBSHWXXLPSUMOB-BXUZGUMPSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 ZINC001575825539 1272487676 /nfs/dbraw/zinc/48/76/76/1272487676.db2.gz IHMKDERYDXTOPV-GXTWGEPZSA-N 0 1 370.417 0.499 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cn1 ZINC001575834741 1272499666 /nfs/dbraw/zinc/49/96/66/1272499666.db2.gz NUMHCUDDONDODQ-CQDKDKBSSA-N 0 1 353.386 0.466 20 30 FCEDMN C[C@]1(NC(=O)CSCC#N)CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001575997451 1272672563 /nfs/dbraw/zinc/67/25/63/1272672563.db2.gz ASHMVKKECMTUBA-INIZCTEOSA-N 0 1 364.475 0.881 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)CCOCc2c[nH]nn2)CCCN1c1cncc(C#N)n1 ZINC001576021442 1272723215 /nfs/dbraw/zinc/72/32/15/1272723215.db2.gz MNPSKOMHSDHCNA-IUODEOHRSA-N 0 1 370.417 0.547 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)CCOCc2c[nH]nn2)CCCN1c1cncc(C#N)n1 ZINC001576021440 1272723979 /nfs/dbraw/zinc/72/39/79/1272723979.db2.gz MNPSKOMHSDHCNA-DOMZBBRYSA-N 0 1 370.417 0.547 20 30 FCEDMN C[C@H]1C[C@@H](NC(=O)CSCC#N)CN1C(=O)CCCCc1cn[nH]n1 ZINC001576048895 1272777183 /nfs/dbraw/zinc/77/71/83/1272777183.db2.gz YPDQEXVESOJRIU-GXTWGEPZSA-N 0 1 364.475 0.880 20 30 FCEDMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576053102 1272784888 /nfs/dbraw/zinc/78/48/88/1272784888.db2.gz PXLNYKALLSJMHM-ZYHUDNBSSA-N 0 1 363.385 0.598 20 30 FCEDMN CCN(C(=O)C#CC(C)C)[C@H]1CCN([C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001576506156 1273375730 /nfs/dbraw/zinc/37/57/30/1273375730.db2.gz PUHPXHWSPIBAGB-HOCLYGCPSA-N 0 1 360.462 0.392 20 30 FCEDMN CN(C[C@@H]1CCCN(C(=O)CCOCc2c[nH]nn2)C1)C(=O)C#CC1CC1 ZINC001576774435 1273653938 /nfs/dbraw/zinc/65/39/38/1273653938.db2.gz QBJPBMSYOCRRHH-INIZCTEOSA-N 0 1 373.457 0.822 20 30 FCEDMN CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](N)CCS(C)(=O)=O)c1 ZINC001576930717 1273954580 /nfs/dbraw/zinc/95/45/80/1273954580.db2.gz GWHKSFDTMDPLSU-HIFRSBDPSA-N 0 1 353.444 0.746 20 30 FCEDMN Cc1nc(N2C[C@@H](NC(=O)CCCc3c[nH]nn3)[C@@H](O)C2)ccc1C#N ZINC001577557621 1274500190 /nfs/dbraw/zinc/50/01/90/1274500190.db2.gz NBIRBFGPKZPJNC-CABCVRRESA-N 0 1 355.402 0.068 20 30 FCEDMN Cc1nc(N2C[C@@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C2)ccc1C#N ZINC001577557621 1274500194 /nfs/dbraw/zinc/50/01/94/1274500194.db2.gz NBIRBFGPKZPJNC-CABCVRRESA-N 0 1 355.402 0.068 20 30 FCEDMN N#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2cnn(CCF)c2)CC1 ZINC001577706729 1274766937 /nfs/dbraw/zinc/76/69/37/1274766937.db2.gz QYAHYHCZABTCKU-UHFFFAOYSA-N 0 1 360.397 0.601 20 30 FCEDMN N#CCN(Cc1c[nH]nn1)S(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001577706929 1274767238 /nfs/dbraw/zinc/76/72/38/1274767238.db2.gz YVEYJCRRECRUSE-AWEZNQCLSA-N 0 1 369.447 0.436 20 30 FCEDMN N#CCN1CC[C@@]2(CNC(=O)C3CCN(Cc4c[nH]nn4)CC3)CCC[C@@H]12 ZINC001577706573 1274767431 /nfs/dbraw/zinc/76/74/31/1274767431.db2.gz LQAJEKKSFMKXLC-IEBWSBKVSA-N 0 1 371.489 0.901 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)c1 ZINC001577709999 1274768945 /nfs/dbraw/zinc/76/89/45/1274768945.db2.gz LSBUHQYBRWQWEC-CRNXPOROSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)c1 ZINC001577710001 1274769075 /nfs/dbraw/zinc/76/90/75/1274769075.db2.gz LSBUHQYBRWQWEC-GUSZCTEKSA-N 0 1 351.414 0.987 20 30 FCEDMN N#CCSCC(=O)NC[C@@H]1CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577710345 1274771064 /nfs/dbraw/zinc/77/10/64/1274771064.db2.gz YOWGDVCBFNDWRX-ZDUSSCGKSA-N 0 1 371.426 0.454 20 30 FCEDMN N#Cc1cc(C(=O)N2CC[C@H](NC(=O)C3(Cc4c[nH]nn4)CCC3)C2)c[nH]1 ZINC001577712269 1274772373 /nfs/dbraw/zinc/77/23/73/1274772373.db2.gz HGNWXMJJCMBRHF-ZDUSSCGKSA-N 0 1 367.413 0.748 20 30 FCEDMN N#Cc1cc(C(=O)N2CC[C@H](NC(=O)C3(Cc4cnn[nH]4)CCC3)C2)c[nH]1 ZINC001577712269 1274772379 /nfs/dbraw/zinc/77/23/79/1274772379.db2.gz HGNWXMJJCMBRHF-ZDUSSCGKSA-N 0 1 367.413 0.748 20 30 FCEDMN N#Cc1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)c[nH]1 ZINC001577712654 1274773483 /nfs/dbraw/zinc/77/34/83/1274773483.db2.gz UMYSGKZTPNQVKJ-UQCMEYCASA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1ccccc1CN[C@@H]1CCN(C(=O)CCOCc2cn[nH]n2)C1 ZINC001577717382 1274777160 /nfs/dbraw/zinc/77/71/60/1274777160.db2.gz CAQGXGKUOXGQBP-MRXNPFEDSA-N 0 1 354.414 0.974 20 30 FCEDMN N#Cc1cnc(N2CC[C@@H](CNC(=O)CCCCc3cn[nH]n3)C2)cn1 ZINC001577718909 1274781521 /nfs/dbraw/zinc/78/15/21/1274781521.db2.gz AQISMXAAWBJUHL-ZDUSSCGKSA-N 0 1 354.418 0.822 20 30 FCEDMN N#Cc1nccc(NCCNC(=O)c2ccc(OCc3c[nH]nn3)cc2)n1 ZINC001577719526 1274782106 /nfs/dbraw/zinc/78/21/06/1274782106.db2.gz UXPLPBSJBNYYJY-UHFFFAOYSA-N 0 1 364.369 0.309 20 30 FCEDMN N#Cc1cnc(N[C@@]2(CO)CCCN(C(=O)CCCc3c[nH]nn3)C2)cn1 ZINC001577719115 1274782124 /nfs/dbraw/zinc/78/21/24/1274782124.db2.gz JHCHMBYFIGHYTR-KRWDZBQOSA-N 0 1 370.417 0.255 20 30 FCEDMN N#Cc1cnc(N[C@@]2(CO)CCCN(C(=O)CCCc3cnn[nH]3)C2)cn1 ZINC001577719115 1274782134 /nfs/dbraw/zinc/78/21/34/1274782134.db2.gz JHCHMBYFIGHYTR-KRWDZBQOSA-N 0 1 370.417 0.255 20 30 FCEDMN N#Cc1cnc(NC[C@H]2CN(C(=O)CCCc3c[nH]nn3)CCO2)cn1 ZINC001577719165 1274782952 /nfs/dbraw/zinc/78/29/52/1274782952.db2.gz LGCFOMUKNOGOJK-AWEZNQCLSA-N 0 1 356.390 0.129 20 30 FCEDMN N#Cc1cnc(NC[C@H]2CN(C(=O)CCCc3cnn[nH]3)CCO2)cn1 ZINC001577719165 1274782958 /nfs/dbraw/zinc/78/29/58/1274782958.db2.gz LGCFOMUKNOGOJK-AWEZNQCLSA-N 0 1 356.390 0.129 20 30 FCEDMN N#Cc1nccnc1N[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577721509 1274786972 /nfs/dbraw/zinc/78/69/72/1274786972.db2.gz MLAUKQYQXIIIIQ-GFCCVEGCSA-N 0 1 361.369 0.855 20 30 FCEDMN N#Cc1nccnc1NCC[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577721302 1274787081 /nfs/dbraw/zinc/78/70/81/1274787081.db2.gz FLHWZTMROFICFN-ZDUSSCGKSA-N 0 1 370.417 0.724 20 30 FCEDMN N#Cc1nccnc1NCC[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577721301 1274787495 /nfs/dbraw/zinc/78/74/95/1274787495.db2.gz FLHWZTMROFICFN-CYBMUJFWSA-N 0 1 370.417 0.724 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)CCO1 ZINC001577745979 1274821702 /nfs/dbraw/zinc/82/17/02/1274821702.db2.gz OHVXBYBPSJWDSD-INIZCTEOSA-N 0 1 371.441 0.275 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 ZINC001577745979 1274821715 /nfs/dbraw/zinc/82/17/15/1274821715.db2.gz OHVXBYBPSJWDSD-INIZCTEOSA-N 0 1 371.441 0.275 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)CCCc2c[nH]nn2)C1 ZINC001577746179 1274822190 /nfs/dbraw/zinc/82/21/90/1274822190.db2.gz RBJCFLFLLFSCSV-DOTOQJQBSA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)CCCc2cnn[nH]2)C1 ZINC001577746179 1274822198 /nfs/dbraw/zinc/82/21/98/1274822198.db2.gz RBJCFLFLLFSCSV-DOTOQJQBSA-N 0 1 355.442 0.990 20 30 FCEDMN CN(CCOCCN(C)c1ccncc1-c1nn[nH]n1)C(=O)C#CC1CC1 ZINC001579227299 1277036629 /nfs/dbraw/zinc/03/66/29/1277036629.db2.gz AJIODQBQYJOEDE-UHFFFAOYSA-N 0 1 369.429 0.586 20 30 FCEDMN C[N@H+]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@@H](Cc2ccccc2)C1 ZINC001579377202 1277255113 /nfs/dbraw/zinc/25/51/13/1277255113.db2.gz KQQCUHRSKJBHTB-AWEZNQCLSA-N 0 1 361.413 0.891 20 30 FCEDMN C[N@@H+]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H](Cc2ccccc2)C1 ZINC001579377202 1277255129 /nfs/dbraw/zinc/25/51/29/1277255129.db2.gz KQQCUHRSKJBHTB-AWEZNQCLSA-N 0 1 361.413 0.891 20 30 FCEDMN C[N@H+]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H](Cc2ccccc2)C1 ZINC001579377202 1277255131 /nfs/dbraw/zinc/25/51/31/1277255131.db2.gz KQQCUHRSKJBHTB-AWEZNQCLSA-N 0 1 361.413 0.891 20 30 FCEDMN C[N@H+]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H](Cc2ccccc2)C1 ZINC001579376588 1277255361 /nfs/dbraw/zinc/25/53/61/1277255361.db2.gz CEJGRWFDKYYBCO-CQSZACIVSA-N 0 1 361.413 0.891 20 30 FCEDMN CNC(=O)COc1ccc(Oc2cnc(-c3nn[nH]n3)c(C#N)n2)cc1 ZINC001579398019 1277281887 /nfs/dbraw/zinc/28/18/87/1277281887.db2.gz DTJZTMHAWGYWAA-UHFFFAOYSA-N 0 1 352.314 0.445 20 30 FCEDMN COC(=O)[C@@]1(C(F)(F)F)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001579438709 1277314943 /nfs/dbraw/zinc/31/49/43/1277314943.db2.gz NQFUXXRNGVWCGH-GFCCVEGCSA-N 0 1 368.279 0.460 20 30 FCEDMN COc1ccc2c(c1)CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CCO2 ZINC001580050328 1277998941 /nfs/dbraw/zinc/99/89/41/1277998941.db2.gz QJWXEBRSLGHCRL-UHFFFAOYSA-N 0 1 350.342 0.936 20 30 FCEDMN Cc1cc(C)nc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)n1 ZINC001580913110 1279117169 /nfs/dbraw/zinc/11/71/69/1279117169.db2.gz FGGYFBGVJZIHKP-UHFFFAOYSA-N 0 1 363.389 0.262 20 30 FCEDMN CC(C)C#CC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001603189540 1287325961 /nfs/dbraw/zinc/32/59/61/1287325961.db2.gz OIIMEHPXYONNTG-AWEZNQCLSA-N 0 1 369.429 0.372 20 30 FCEDMN Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580952581 1279157627 /nfs/dbraw/zinc/15/76/27/1279157627.db2.gz QDFGGPUQTBVUKP-DTCNJJKHSA-N 0 1 352.402 0.528 20 30 FCEDMN Cc1cc(N2CCC(Nc3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)n[nH]1 ZINC001580960433 1279163614 /nfs/dbraw/zinc/16/36/14/1279163614.db2.gz GWZDOOOJROPAOA-UHFFFAOYSA-N 0 1 351.378 0.641 20 30 FCEDMN Cc1cc(N2CCCO[C@@H](CNC(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580968566 1279170112 /nfs/dbraw/zinc/17/01/12/1279170112.db2.gz KZAAOSDIWYPGIA-YPMHNXCESA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001580978473 1279179862 /nfs/dbraw/zinc/17/98/62/1279179862.db2.gz YCLRQBJJPDHTCJ-FRJFDASCSA-N 0 1 352.402 0.956 20 30 FCEDMN Cc1cc(N[C@H](CNC(=O)CSCC#N)C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580992837 1279196040 /nfs/dbraw/zinc/19/60/40/1279196040.db2.gz BXVZAJQXPYBVPL-CQSZACIVSA-N 0 1 374.474 0.802 20 30 FCEDMN C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001716102327 1287372391 /nfs/dbraw/zinc/37/23/91/1287372391.db2.gz FORBAGASWAODRW-RWMBFGLXSA-N 0 1 357.252 0.499 20 30 FCEDMN C[C@@H](C[C@H](C)Nc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001603457622 1287377306 /nfs/dbraw/zinc/37/73/06/1287377306.db2.gz JBTRSURAECCNQU-QWRGUYRKSA-N 0 1 365.401 0.892 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)Nc3c[nH]nc3C#N)CC2)o1 ZINC001581411088 1279876565 /nfs/dbraw/zinc/87/65/65/1279876565.db2.gz KEVAVGSDVIHPDV-UHFFFAOYSA-N 0 1 368.361 0.613 20 30 FCEDMN C[C@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001603474042 1287383804 /nfs/dbraw/zinc/38/38/04/1287383804.db2.gz DOGGUDICCVYVGM-LLVKDONJSA-N 0 1 365.401 0.894 20 30 FCEDMN N#Cc1nc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[n-]c1-c1nn[nH]n1 ZINC001581860226 1280613568 /nfs/dbraw/zinc/61/35/68/1280613568.db2.gz PVHCMCPHOVBMGV-LBPRGKRZSA-N 0 1 363.385 0.922 20 30 FCEDMN N#Cc1[n-]c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581860226 1280613572 /nfs/dbraw/zinc/61/35/72/1280613572.db2.gz PVHCMCPHOVBMGV-LBPRGKRZSA-N 0 1 363.385 0.922 20 30 FCEDMN N#Cc1[n-]c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581860226 1280613580 /nfs/dbraw/zinc/61/35/80/1280613580.db2.gz PVHCMCPHOVBMGV-LBPRGKRZSA-N 0 1 363.385 0.922 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581864031 1280617253 /nfs/dbraw/zinc/61/72/53/1280617253.db2.gz BUZCDASVTGGXNE-GFCCVEGCSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)c[nH]1 ZINC001581865461 1280621366 /nfs/dbraw/zinc/62/13/66/1280621366.db2.gz KDPZDIWUJNBOSR-HNNXBMFYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[nH]1 ZINC001581867833 1280623822 /nfs/dbraw/zinc/62/38/22/1280623822.db2.gz YBZGBQKAQYGFGN-JTQLQIEISA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1nc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cnc1-c1nnn[n-]1 ZINC001581879780 1280637723 /nfs/dbraw/zinc/63/77/23/1280637723.db2.gz XFEPUGHVEPNMEN-LBPRGKRZSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001581879780 1280637738 /nfs/dbraw/zinc/63/77/38/1280637738.db2.gz XFEPUGHVEPNMEN-LBPRGKRZSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001581879780 1280637741 /nfs/dbraw/zinc/63/77/41/1280637741.db2.gz XFEPUGHVEPNMEN-LBPRGKRZSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cnc1-c1nnn[n-]1 ZINC001581880678 1280642175 /nfs/dbraw/zinc/64/21/75/1280642175.db2.gz RUZGUAFEFNNSQO-LLVKDONJSA-N 0 1 355.406 0.441 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cnc1-c1nn[n-]n1 ZINC001581880678 1280642184 /nfs/dbraw/zinc/64/21/84/1280642184.db2.gz RUZGUAFEFNNSQO-LLVKDONJSA-N 0 1 355.406 0.441 20 30 FCEDMN N#Cc1ncc(N2CCO[C@H](COc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581882682 1280643340 /nfs/dbraw/zinc/64/33/40/1280643340.db2.gz FRDHPPSZXZIKRQ-ZDUSSCGKSA-N 0 1 364.369 0.813 20 30 FCEDMN N#Cc1ncc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1nnn[n-]1 ZINC001581882238 1280643531 /nfs/dbraw/zinc/64/35/31/1280643531.db2.gz QKDLNVDIGIBJKS-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882238 1280643550 /nfs/dbraw/zinc/64/35/50/1280643550.db2.gz QKDLNVDIGIBJKS-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882238 1280643557 /nfs/dbraw/zinc/64/35/57/1280643557.db2.gz QKDLNVDIGIBJKS-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCCc3c2cnn3CCO)nc1-c1nn[nH]n1 ZINC001581883417 1280648216 /nfs/dbraw/zinc/64/82/16/1280648216.db2.gz ZBNGEIFCPWRRQL-SNVBAGLBSA-N 0 1 352.362 0.207 20 30 FCEDMN N#Cc1ncc(NCCC(=O)NCc2ccccn2)nc1-c1nn[nH]n1 ZINC001581884320 1280651107 /nfs/dbraw/zinc/65/11/07/1280651107.db2.gz UXYMWGWQNRKFNB-UHFFFAOYSA-N 0 1 350.346 0.042 20 30 FCEDMN C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CN(C)CCN1C ZINC001586538428 1282301988 /nfs/dbraw/zinc/30/19/88/1282301988.db2.gz HWGAHWXXKFMGOP-DYVFJYSZSA-N 0 1 367.457 0.690 20 30 FCEDMN C#C[C@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C1CCOCC1 ZINC001588328478 1282420186 /nfs/dbraw/zinc/42/01/86/1282420186.db2.gz IBMJQSQEQVTVAT-JTQLQIEISA-N 0 1 353.429 0.635 20 30 FCEDMN C#C[C@@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CCOC)C1 ZINC001588332588 1282425448 /nfs/dbraw/zinc/42/54/48/1282425448.db2.gz NIZFEICGNPGQTQ-LLVKDONJSA-N 0 1 368.405 0.344 20 30 FCEDMN C#CCCCC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588339761 1282434872 /nfs/dbraw/zinc/43/48/72/1282434872.db2.gz VFXFBTXUAHGIGY-AWEZNQCLSA-N 0 1 369.429 0.517 20 30 FCEDMN C#CCCCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588340613 1282435986 /nfs/dbraw/zinc/43/59/86/1282435986.db2.gz XVYTVURAMBNTJV-GOSISDBHSA-N 0 1 369.429 0.431 20 30 FCEDMN C#CCCCCC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588342186 1282437687 /nfs/dbraw/zinc/43/76/87/1282437687.db2.gz HHGDDTUELALMOG-CYBMUJFWSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588342542 1282437856 /nfs/dbraw/zinc/43/78/56/1282437856.db2.gz BKBRQXDWFYFXEH-CYBMUJFWSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCN(C(=O)[C@@H](F)CC)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588347149 1282441900 /nfs/dbraw/zinc/44/19/00/1282441900.db2.gz JHNNYCZADKLMKX-ZDUSSCGKSA-N 0 1 372.408 0.835 20 30 FCEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC001588349898 1282444104 /nfs/dbraw/zinc/44/41/04/1282444104.db2.gz QNPJTELINNKECG-UHFFFAOYSA-N 0 1 374.470 0.893 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001588355132 1282453758 /nfs/dbraw/zinc/45/37/58/1282453758.db2.gz FOHBMNPJGOCLTK-QWHCGFSZSA-N 0 1 357.418 0.419 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588356400 1282459495 /nfs/dbraw/zinc/45/94/95/1282459495.db2.gz XBFMWPOMAAFJEC-WMLDXEAASA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356438 1282459883 /nfs/dbraw/zinc/45/98/83/1282459883.db2.gz BYSWIZZXDVPMFJ-OLZOCXBDSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356438 1282459886 /nfs/dbraw/zinc/45/98/86/1282459886.db2.gz BYSWIZZXDVPMFJ-OLZOCXBDSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356438 1282459891 /nfs/dbraw/zinc/45/98/91/1282459891.db2.gz BYSWIZZXDVPMFJ-OLZOCXBDSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356438 1282459896 /nfs/dbraw/zinc/45/98/96/1282459896.db2.gz BYSWIZZXDVPMFJ-OLZOCXBDSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCOCCC(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001588358778 1282470209 /nfs/dbraw/zinc/47/02/09/1282470209.db2.gz BHERFBKIZDTFLT-UHFFFAOYSA-N 0 1 368.441 0.941 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1CC ZINC001588359822 1282476164 /nfs/dbraw/zinc/47/61/64/1282476164.db2.gz CMYUJFHSSQWBSL-FRRDWIJNSA-N 0 1 370.417 0.169 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588361844 1282485393 /nfs/dbraw/zinc/48/53/93/1282485393.db2.gz UAOAMXFOKBYSGG-OLZOCXBDSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001588361520 1282485813 /nfs/dbraw/zinc/48/58/13/1282485813.db2.gz OVHRZAZZFNPWPX-STQMWFEESA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588362639 1282486449 /nfs/dbraw/zinc/48/64/49/1282486449.db2.gz NBRBJSYNGUYONN-JOCQHMNTSA-N 0 1 355.402 0.030 20 30 FCEDMN C#Cc1cncc(C(=O)NCCCN(C)c2ccncc2-c2nn[nH]n2)c1 ZINC001588379234 1282494682 /nfs/dbraw/zinc/49/46/82/1282494682.db2.gz CSKRGGNRZKWBRM-UHFFFAOYSA-N 0 1 362.397 0.894 20 30 FCEDMN C#Cc1ccccc1CC(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588377569 1282494768 /nfs/dbraw/zinc/49/47/68/1282494768.db2.gz ZWYJDZMAESJTCF-UHFFFAOYSA-N 0 1 362.397 0.221 20 30 FCEDMN C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588381261 1282497387 /nfs/dbraw/zinc/49/73/87/1282497387.db2.gz WNEKMKAALDZHQW-CQSZACIVSA-N 0 1 360.381 0.387 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001588381257 1282498189 /nfs/dbraw/zinc/49/81/89/1282498189.db2.gz WHVBSDFKAFPPHW-LLVKDONJSA-N 0 1 363.385 0.288 20 30 FCEDMN C=C(C)CCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588411964 1282502391 /nfs/dbraw/zinc/50/23/91/1282502391.db2.gz NRAXQFDFLMMACY-GFCCVEGCSA-N 0 1 358.406 0.074 20 30 FCEDMN C=C(C[NH+](C)C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001588443933 1282508045 /nfs/dbraw/zinc/50/80/45/1282508045.db2.gz BDTMVUAPZDFRDM-UHFFFAOYSA-N 0 1 372.433 0.499 20 30 FCEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588480984 1282518999 /nfs/dbraw/zinc/51/89/99/1282518999.db2.gz GXEWOGQZZQBETD-LBPRGKRZSA-N 0 1 359.434 0.517 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588493594 1282523599 /nfs/dbraw/zinc/52/35/99/1282523599.db2.gz IGOFRXKKSAWFEY-SJCJKPOMSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001588495356 1282523645 /nfs/dbraw/zinc/52/36/45/1282523645.db2.gz CMWOVZWFRFMDPB-SJKOYZFVSA-N 0 1 359.434 0.829 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588497012 1282525279 /nfs/dbraw/zinc/52/52/79/1282525279.db2.gz XHCUYJAJJQICSU-BZNIZROVSA-N 0 1 360.422 0.224 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588498488 1282525574 /nfs/dbraw/zinc/52/55/74/1282525574.db2.gz ALYYKEFDNHYJKN-QGZVFWFLSA-N 0 1 359.434 0.874 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588500283 1282532804 /nfs/dbraw/zinc/53/28/04/1282532804.db2.gz UUNWMTHIYIMHQH-SCLBCKFNSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588501208 1282535730 /nfs/dbraw/zinc/53/57/30/1282535730.db2.gz LEWGVQBBLFJBSB-APPDUMDISA-N 0 1 372.433 0.315 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503596 1282540929 /nfs/dbraw/zinc/54/09/29/1282540929.db2.gz ARQYFQOGFNODCD-FUTAKVPZSA-N 0 1 357.418 0.403 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001588507066 1282548815 /nfs/dbraw/zinc/54/88/15/1282548815.db2.gz APKNOXALUVPPIQ-XSLLRJJBSA-N 0 1 370.417 0.210 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588508097 1282550837 /nfs/dbraw/zinc/55/08/37/1282550837.db2.gz OJDWVUNHXHXSRP-NENTXLIVSA-N 0 1 374.470 0.802 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588508097 1282550852 /nfs/dbraw/zinc/55/08/52/1282550852.db2.gz OJDWVUNHXHXSRP-NENTXLIVSA-N 0 1 374.470 0.802 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588521979 1282556881 /nfs/dbraw/zinc/55/68/81/1282556881.db2.gz XHWGCFNDSQGJNM-KBPBESRZSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCC(C)(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588532712 1282560895 /nfs/dbraw/zinc/56/08/95/1282560895.db2.gz CRPQQZJGTBBNAL-LBPRGKRZSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001588552209 1282567044 /nfs/dbraw/zinc/56/70/44/1282567044.db2.gz RXCNJNSNZKMPGG-LBPRGKRZSA-N 0 1 372.433 0.368 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001588611487 1282588973 /nfs/dbraw/zinc/58/89/73/1282588973.db2.gz TYAWONLGBVVBES-ZFWWWQNUSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588617673 1282598181 /nfs/dbraw/zinc/59/81/81/1282598181.db2.gz XNYIHKVLSCTJAW-CYBMUJFWSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001588657845 1282610080 /nfs/dbraw/zinc/61/00/80/1282610080.db2.gz YCGWTJWXQUTAAN-SJKOYZFVSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCOCC(=O)N[C@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001588672375 1282625767 /nfs/dbraw/zinc/62/57/67/1282625767.db2.gz UYAWUYQSVIVYJU-GOSISDBHSA-N 0 1 371.445 0.891 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588674507 1282632226 /nfs/dbraw/zinc/63/22/26/1282632226.db2.gz OYNTVKPDGZNSEX-GFCCVEGCSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588680796 1282637274 /nfs/dbraw/zinc/63/72/74/1282637274.db2.gz DUPHPJNFJAJRNR-CYBMUJFWSA-N 0 1 357.418 0.679 20 30 FCEDMN C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588681531 1282641949 /nfs/dbraw/zinc/64/19/49/1282641949.db2.gz DTGIRGOYKVYFFR-JYAVWHMHSA-N 0 1 370.417 0.190 20 30 FCEDMN C=CCn1c(-c2ccc(-c3nn[nH]n3)[nH]2)nnc1N1CCN(CC)CC1 ZINC001588696383 1282649279 /nfs/dbraw/zinc/64/92/79/1282649279.db2.gz LRVKYQBGCWWCCO-UHFFFAOYSA-N 0 1 354.422 0.781 20 30 FCEDMN C=CC[S@](=O)(=NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588688558 1282650717 /nfs/dbraw/zinc/65/07/17/1282650717.db2.gz JRWSUFJQTXDKBX-RUZDIDTESA-N 0 1 358.387 0.698 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001588699258 1282653540 /nfs/dbraw/zinc/65/35/40/1282653540.db2.gz GWVHTPDCZKOROV-INIZCTEOSA-N 0 1 368.405 0.651 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588723514 1282672751 /nfs/dbraw/zinc/67/27/51/1282672751.db2.gz OHOXUGNVVIANRH-NEPJUHHUSA-N 0 1 358.406 0.190 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588737364 1282678341 /nfs/dbraw/zinc/67/83/41/1282678341.db2.gz LFJFGFSZXRJMPB-UONOGXRCSA-N 0 1 368.445 0.921 20 30 FCEDMN C[C@@H](C#N)OCCN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588933857 1282732327 /nfs/dbraw/zinc/73/23/27/1282732327.db2.gz AQKKKVWKNVHKNB-NSHDSACASA-N 0 1 358.406 0.783 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001589067720 1282790768 /nfs/dbraw/zinc/79/07/68/1282790768.db2.gz DRIFYHLUVGDSPO-LBPRGKRZSA-N 0 1 354.418 0.435 20 30 FCEDMN C[C@@H](Cc1c(F)cccc1F)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001589891146 1283112684 /nfs/dbraw/zinc/11/26/84/1283112684.db2.gz PTXRLBHFLWVQDH-VIFPVBQESA-N 0 1 372.339 0.960 20 30 FCEDMN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589911754 1283118469 /nfs/dbraw/zinc/11/84/69/1283118469.db2.gz DSRISZXWQKQCOL-GXTWGEPZSA-N 0 1 366.429 0.791 20 30 FCEDMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590174996 1283280668 /nfs/dbraw/zinc/28/06/68/1283280668.db2.gz KXJAFOPWCBJHHN-NEPJUHHUSA-N 0 1 354.418 0.529 20 30 FCEDMN CC1CC(n2nnc3c2CN(c2cnc(C#N)c(-c4nn[nH]n4)n2)CC3)C1 ZINC001590215391 1283347762 /nfs/dbraw/zinc/34/77/62/1283347762.db2.gz VBPUYIKRBDAVLZ-UHFFFAOYSA-N 0 1 363.389 0.654 20 30 FCEDMN C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001590256021 1283380541 /nfs/dbraw/zinc/38/05/41/1283380541.db2.gz ZDNNJKFVJXNZLK-WCQYABFASA-N 0 1 358.406 0.646 20 30 FCEDMN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001590266098 1283389782 /nfs/dbraw/zinc/38/97/82/1283389782.db2.gz KNAJWIINPULLAJ-UKRRQHHQSA-N 0 1 365.441 0.994 20 30 FCEDMN CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001604522568 1287650514 /nfs/dbraw/zinc/65/05/14/1287650514.db2.gz ZRDYBPJURWXASN-MFKMUULPSA-N 0 1 351.374 0.963 20 30 FCEDMN CCc1nc(COC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001604556607 1287661463 /nfs/dbraw/zinc/66/14/63/1287661463.db2.gz BWAWLDNHBNPJII-GFCCVEGCSA-N 0 1 352.358 0.973 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cscc2C#N)c1-c1nnn[n-]1 ZINC001591216769 1284351196 /nfs/dbraw/zinc/35/11/96/1284351196.db2.gz QNKKOOZPRZCRIN-UHFFFAOYSA-N 0 1 357.403 0.927 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cscc2C#N)c1-c1nn[n-]n1 ZINC001591216769 1284351200 /nfs/dbraw/zinc/35/12/00/1284351200.db2.gz QNKKOOZPRZCRIN-UHFFFAOYSA-N 0 1 357.403 0.927 20 30 FCEDMN Cc1cc(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c(C)n1-c1nc[nH]n1 ZINC001591907601 1285000075 /nfs/dbraw/zinc/00/00/75/1285000075.db2.gz AZWMJBTUXLKNPH-UHFFFAOYSA-N 0 1 363.345 0.343 20 30 FCEDMN Cc1cc(N2CC[C@H](CNC(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592001405 1285052030 /nfs/dbraw/zinc/05/20/30/1285052030.db2.gz ZWTXQOMDZVELOM-GFCCVEGCSA-N 0 1 372.458 0.769 20 30 FCEDMN Cc1cc(N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010932 1285058514 /nfs/dbraw/zinc/05/85/14/1285058514.db2.gz YFQCWFORPOPYKL-GASCZTMLSA-N 0 1 363.425 0.878 20 30 FCEDMN Cc1cc(NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592043978 1285084397 /nfs/dbraw/zinc/08/43/97/1285084397.db2.gz CUTZBFHPUAHGNW-CQSZACIVSA-N 0 1 367.413 0.045 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)NC1CCCCC1 ZINC001592334684 1285244213 /nfs/dbraw/zinc/24/42/13/1285244213.db2.gz DRNMLJROKHSHJJ-UHFFFAOYSA-N 0 1 357.378 0.402 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC001592335179 1285245632 /nfs/dbraw/zinc/24/56/32/1285245632.db2.gz NQHFZAXULHCPML-UHFFFAOYSA-N 0 1 368.405 0.913 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NC3=NO[C@H](C)C3)CC2)o1 ZINC001592337931 1285248565 /nfs/dbraw/zinc/24/85/65/1285248565.db2.gz GERPNSJXKDKDDB-MRVPVSSYSA-N 0 1 360.378 0.618 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CCc1c(C)nc2sccn2c1=O ZINC001592406016 1285318798 /nfs/dbraw/zinc/31/87/98/1285318798.db2.gz YRLFNRDKPMQHDK-UHFFFAOYSA-N 0 1 367.398 0.864 20 30 FCEDMN N#CC(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(=O)OCC1CC1 ZINC001592667164 1285563075 /nfs/dbraw/zinc/56/30/75/1285563075.db2.gz VFKJLHCFVHKOIO-AWEZNQCLSA-N 0 1 354.370 0.618 20 30 FCEDMN O=C(C#CC1CC1)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592766141 1285688693 /nfs/dbraw/zinc/68/86/93/1285688693.db2.gz DOZFGJKQIQIICF-CQSZACIVSA-N 0 1 367.413 0.126 20 30 FCEDMN O=C(C#CC1CC1)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592767372 1285690382 /nfs/dbraw/zinc/69/03/82/1285690382.db2.gz BVAVKPVGIJHJGI-UHFFFAOYSA-N 0 1 352.402 0.331 20 30 FCEDMN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001593681672 1286211137 /nfs/dbraw/zinc/21/11/37/1286211137.db2.gz GVHMLKUUFZFBPN-MLGOLLRUSA-N 0 1 362.455 0.435 20 30 FCEDMN N#Cc1ccc(N2CC[NH+]([C@@H]3CCCN(CCC(=O)[O-])C3=O)CC2)cn1 ZINC001601106632 1286635871 /nfs/dbraw/zinc/63/58/71/1286635871.db2.gz ZTRHKXKEJGLTLL-MRXNPFEDSA-N 0 1 357.414 0.541 20 30 FCEDMN C#CCCCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703248 1287064289 /nfs/dbraw/zinc/06/42/89/1287064289.db2.gz MAYNEZXURWZLHT-QGZVFWFLSA-N 0 1 354.418 0.533 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703452 1287066887 /nfs/dbraw/zinc/06/68/87/1287066887.db2.gz QTUXZWXPFXJVAL-CQSZACIVSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001602706290 1287069153 /nfs/dbraw/zinc/06/91/53/1287069153.db2.gz PUXFFDRUPQQXLA-CQSZACIVSA-N 0 1 371.445 0.711 20 30 FCEDMN C#CC[NH+]1CCC(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CC1 ZINC001602717780 1287073643 /nfs/dbraw/zinc/07/36/43/1287073643.db2.gz AUOILOGVAMNSLH-UHFFFAOYSA-N 0 1 351.414 0.886 20 30 FCEDMN C#CCN1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@H](C)O2 ZINC001602721412 1287078041 /nfs/dbraw/zinc/07/80/41/1287078041.db2.gz IJMOHDBIQVJRMU-YVEFUNNKSA-N 0 1 355.402 0.133 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001602726066 1287085340 /nfs/dbraw/zinc/08/53/40/1287085340.db2.gz BYBYZLVFSHYTCI-HZSPNIEDSA-N 0 1 369.429 0.489 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001602726841 1287089837 /nfs/dbraw/zinc/08/98/37/1287089837.db2.gz TYYBAYQLDSRAPW-ZDUSSCGKSA-N 0 1 369.429 0.633 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001602727711 1287094513 /nfs/dbraw/zinc/09/45/13/1287094513.db2.gz ZOCHWDWEMQQUCF-LBPRGKRZSA-N 0 1 355.402 0.173 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001602737458 1287098233 /nfs/dbraw/zinc/09/82/33/1287098233.db2.gz RZFIKFRYNKIEKB-QWRGUYRKSA-N 0 1 363.385 0.074 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001602737499 1287099479 /nfs/dbraw/zinc/09/94/79/1287099479.db2.gz SVGWQJIUZSGMPQ-LLVKDONJSA-N 0 1 363.385 0.075 20 30 FCEDMN C=C1CCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CC(C)C)CC1 ZINC001602776595 1287110400 /nfs/dbraw/zinc/11/04/00/1287110400.db2.gz DNZVNXDQEXOOIP-UHFFFAOYSA-N 0 1 369.437 0.910 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001602773119 1287110617 /nfs/dbraw/zinc/11/06/17/1287110617.db2.gz MPEUZZFRMSQTBN-XYYAHUGASA-N 0 1 366.429 0.811 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602790958 1287116369 /nfs/dbraw/zinc/11/63/69/1287116369.db2.gz WKWXFBBKSKTOKX-SJCJKPOMSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602796154 1287120316 /nfs/dbraw/zinc/12/03/16/1287120316.db2.gz ZPRAWVVIDMXHOD-UGSOOPFHSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001602826374 1287126538 /nfs/dbraw/zinc/12/65/38/1287126538.db2.gz FPFPWVOUVNWOKI-NEPJUHHUSA-N 0 1 354.418 0.884 20 30 FCEDMN C=CCCN1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001602841454 1287130467 /nfs/dbraw/zinc/13/04/67/1287130467.db2.gz XXTCUWQKPUZINM-UHFFFAOYSA-N 0 1 356.434 0.213 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602841200 1287131054 /nfs/dbraw/zinc/13/10/54/1287131054.db2.gz QFGZKJQRJXLYNK-CHWSQXEVSA-N 0 1 359.434 0.924 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602843897 1287132079 /nfs/dbraw/zinc/13/20/79/1287132079.db2.gz BOHMAYCQSWAJGN-CHWSQXEVSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602843877 1287132155 /nfs/dbraw/zinc/13/21/55/1287132155.db2.gz BCSNRAQIFDKNRE-CQSZACIVSA-N 0 1 371.445 0.988 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602844201 1287134076 /nfs/dbraw/zinc/13/40/76/1287134076.db2.gz LRCWHAQYIOQYAX-CHWSQXEVSA-N 0 1 372.433 0.511 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001602846470 1287136250 /nfs/dbraw/zinc/13/62/50/1287136250.db2.gz PFAUIQCNEVGGFI-AGIUHOORSA-N 0 1 370.417 0.475 20 30 FCEDMN Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)n1 ZINC001707765257 1287139486 /nfs/dbraw/zinc/13/94/86/1287139486.db2.gz LBQAGDSNUAWFQU-LBPRGKRZSA-N 0 1 371.449 0.922 20 30 FCEDMN Cc1nnc(CCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)[nH]1 ZINC001707765257 1287139488 /nfs/dbraw/zinc/13/94/88/1287139488.db2.gz LBQAGDSNUAWFQU-LBPRGKRZSA-N 0 1 371.449 0.922 20 30 FCEDMN Cc1n[nH]c(CCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)n1 ZINC001707769980 1287139773 /nfs/dbraw/zinc/13/97/73/1287139773.db2.gz HKKWYBJNAGMQTP-CYBMUJFWSA-N 0 1 365.401 0.738 20 30 FCEDMN Cc1nnc(CCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)[nH]1 ZINC001707769980 1287139777 /nfs/dbraw/zinc/13/97/77/1287139777.db2.gz HKKWYBJNAGMQTP-CYBMUJFWSA-N 0 1 365.401 0.738 20 30 FCEDMN C=CCOCC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602866785 1287140032 /nfs/dbraw/zinc/14/00/32/1287140032.db2.gz MAEMEYOSXWUJLW-UHFFFAOYSA-N 0 1 372.433 0.463 20 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C[C@@H](C#N)C(=O)N1C[C@H]2OCCN(C(=O)c3ccc4cncn4c3)[C@H]2C1 ZINC000960633830 1213858126 /nfs/dbraw/zinc/85/81/26/1213858126.db2.gz JUCPABJZAKLIOW-VBNZEHGJSA-N 0 1 353.382 0.546 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)Cc4ccn[nH]4)C[C@@H]32)cn1 ZINC000960704481 1213897696 /nfs/dbraw/zinc/89/76/96/1213897696.db2.gz RWXXDJCJYOFGPY-DLBZAZTESA-N 0 1 365.393 0.081 20 30 FCEDMN CN1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC000960781545 1213934718 /nfs/dbraw/zinc/93/47/18/1213934718.db2.gz NPGWCCAPOSIAED-YESZJQIVSA-N 0 1 371.441 0.422 20 30 FCEDMN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2)O1 ZINC001015699063 1213987536 /nfs/dbraw/zinc/98/75/36/1213987536.db2.gz SESJCCMGTWWXNX-KSZLIROESA-N 0 1 370.453 0.885 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1n[nH]c(=O)[n-]1)CC2 ZINC001016630555 1214025728 /nfs/dbraw/zinc/02/57/28/1214025728.db2.gz ZFHILXVYKGWNSL-HZSPNIEDSA-N 0 1 361.446 0.962 20 30 FCEDMN 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001017485260 1214101079 /nfs/dbraw/zinc/10/10/79/1214101079.db2.gz FBTDZOHJIOYNBM-HOCLYGCPSA-N 0 1 359.430 0.983 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001018893459 1214169625 /nfs/dbraw/zinc/16/96/25/1214169625.db2.gz GGDDPTDHKCVLDG-RDJZCZTQSA-N 0 1 358.442 0.994 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001019466510 1214253301 /nfs/dbraw/zinc/25/33/01/1214253301.db2.gz YKTMEGLMOYBLRS-BBRMVZONSA-N 0 1 359.430 0.389 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC000961652368 1214255819 /nfs/dbraw/zinc/25/58/19/1214255819.db2.gz LEJUWXVLXSJTIW-RZFLPCETSA-N 0 1 361.486 0.979 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC000961662230 1214260490 /nfs/dbraw/zinc/26/04/90/1214260490.db2.gz XJCVREDSUSWNCY-BARDWOONSA-N 0 1 359.430 0.245 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(C)cc4c[nH]nc43)[C@@H]2C1 ZINC001221869599 1225514422 /nfs/dbraw/zinc/51/44/22/1225514422.db2.gz PFXSFVBHHZBKIL-RHSMWYFYSA-N 0 1 365.437 0.767 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CCCO1 ZINC001019674312 1214289335 /nfs/dbraw/zinc/28/93/35/1214289335.db2.gz GVNMKCZRGFBQHQ-FMKPAKJESA-N 0 1 362.430 0.657 20 30 FCEDMN COc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N ZINC000961790111 1214301570 /nfs/dbraw/zinc/30/15/70/1214301570.db2.gz IYHBURVXNBAKFI-NMNMXBMNSA-N 0 1 354.410 0.235 20 30 FCEDMN C#Cc1ccccc1CC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](O)C1 ZINC000961967233 1214384245 /nfs/dbraw/zinc/38/42/45/1214384245.db2.gz MTPNPUOSHFBMSW-SJORKVTESA-N 0 1 366.421 0.552 20 30 FCEDMN C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](O)C1 ZINC000961971418 1214386839 /nfs/dbraw/zinc/38/68/39/1214386839.db2.gz SVOUYTCOOCKEGM-HIFRSBDPSA-N 0 1 357.414 0.629 20 30 FCEDMN Cc1cc(C(=O)N2C[C@@H](Nc3ncccc3C#N)[C@@H](n3ccnn3)C2)n[nH]1 ZINC001039580952 1214389133 /nfs/dbraw/zinc/38/91/33/1214389133.db2.gz JSRJESADKSOMLQ-CABCVRRESA-N 0 1 363.385 0.754 20 30 FCEDMN CC(=O)NCc1nnc([C@H]2CCO[C@H]2CNc2cc(C)ncc2C#N)[nH]1 ZINC001039631818 1214421216 /nfs/dbraw/zinc/42/12/16/1214421216.db2.gz GAGRQXZKQYLGTK-ZFWWWQNUSA-N 0 1 355.402 0.422 20 30 FCEDMN CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNc2cc(C)ncc2C#N)n1 ZINC001039631818 1214421220 /nfs/dbraw/zinc/42/12/20/1214421220.db2.gz GAGRQXZKQYLGTK-ZFWWWQNUSA-N 0 1 355.402 0.422 20 30 FCEDMN N#Cc1ccc(NC[C@@H]2OCC[C@@H]2c2nnc(CNC(=O)C3CC3)[nH]2)nn1 ZINC001039632913 1214422584 /nfs/dbraw/zinc/42/25/84/1214422584.db2.gz RACCCNVSGPPXBS-STQMWFEESA-N 0 1 368.401 0.477 20 30 FCEDMN N#Cc1ccc(NC[C@@H]2OCC[C@@H]2c2nc(CNC(=O)C3CC3)n[nH]2)nn1 ZINC001039632913 1214422589 /nfs/dbraw/zinc/42/25/89/1214422589.db2.gz RACCCNVSGPPXBS-STQMWFEESA-N 0 1 368.401 0.477 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001039849834 1214441147 /nfs/dbraw/zinc/44/11/47/1214441147.db2.gz QROILDNEKKMGGT-ZVZYQTTQSA-N 0 1 362.430 0.013 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001039849632 1214441431 /nfs/dbraw/zinc/44/14/31/1214441431.db2.gz OIJAGKUOOXBUTL-YEWWUXTCSA-N 0 1 362.430 0.393 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001040146600 1214470021 /nfs/dbraw/zinc/47/00/21/1214470021.db2.gz HCDIGTJAXFWXRE-JTDSTZFVSA-N 0 1 365.474 0.141 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001040195969 1214480023 /nfs/dbraw/zinc/48/00/23/1214480023.db2.gz QXHVTCCVCLIUFY-PJIJBLCYSA-N 0 1 358.442 0.642 20 30 FCEDMN CCN1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC000962340004 1214540019 /nfs/dbraw/zinc/54/00/19/1214540019.db2.gz DMHBDLYTWXFYTM-OAGGEKHMSA-N 0 1 359.430 0.062 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3[nH]nc4ccccc43)C[C@@H]2O)c[nH]1 ZINC000962389010 1214551217 /nfs/dbraw/zinc/55/12/17/1214551217.db2.gz MIIQZLDNFRQLDZ-CABCVRRESA-N 0 1 364.365 0.378 20 30 FCEDMN C#CCN1CCC(C(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC1 ZINC001040649193 1214552937 /nfs/dbraw/zinc/55/29/37/1214552937.db2.gz SUISFVZEAOCBEQ-FUHWJXTLSA-N 0 1 364.453 0.731 20 30 FCEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040852093 1214603418 /nfs/dbraw/zinc/60/34/18/1214603418.db2.gz TXOMJQHKVUIJOV-DVOMOZLQSA-N 0 1 351.414 0.987 20 30 FCEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040850815 1214603674 /nfs/dbraw/zinc/60/36/74/1214603674.db2.gz DIWSHRBHOGRIDW-DVOMOZLQSA-N 0 1 351.414 0.987 20 30 FCEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040852155 1214604640 /nfs/dbraw/zinc/60/46/40/1214604640.db2.gz VPJUZHUOHBGAGV-HEHGZKQESA-N 0 1 351.414 0.987 20 30 FCEDMN C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)C3CC(C)(C)C3)[C@@H](O)C2)CC1 ZINC000962656464 1214625657 /nfs/dbraw/zinc/62/56/57/1214625657.db2.gz ZJSSZZPTUXGEQA-SJORKVTESA-N 0 1 361.486 0.456 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c4ccccc43)C2)n1 ZINC001041030723 1214670440 /nfs/dbraw/zinc/67/04/40/1214670440.db2.gz WKXJAXLMNSXECN-HUUCEWRRSA-N 0 1 363.381 0.513 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnccc3N(C)C)[C@@H]2C1 ZINC001221951770 1225550047 /nfs/dbraw/zinc/55/00/47/1225550047.db2.gz CTCQGNOELRNCNY-RHSMWYFYSA-N 0 1 355.442 0.043 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnccc3N(C)C)[C@@H]2C1 ZINC001221951729 1225550252 /nfs/dbraw/zinc/55/02/52/1225550252.db2.gz BBSWYPSTPJLJRL-HDMKZQKVSA-N 0 1 369.469 0.432 20 30 FCEDMN C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2O)cc1 ZINC000963294268 1214788055 /nfs/dbraw/zinc/78/80/55/1214788055.db2.gz KSQTYIBJLRJUFA-MSOLQXFVSA-N 0 1 371.437 0.096 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CCc1nc[nH]n1 ZINC000964459580 1214966719 /nfs/dbraw/zinc/96/67/19/1214966719.db2.gz BBGYTTIJEKOACD-KFWWJZLASA-N 0 1 361.446 0.826 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000967659052 1215252155 /nfs/dbraw/zinc/25/21/55/1215252155.db2.gz WBNJMGWIRIVNQF-ZNMIVQPWSA-N 0 1 361.446 0.778 20 30 FCEDMN O=C(C#CC1CC1)N1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000967693813 1215256087 /nfs/dbraw/zinc/25/60/87/1215256087.db2.gz RFAIOGCIFRFGLN-HUUCEWRRSA-N 0 1 361.398 0.285 20 30 FCEDMN N#Cc1cn(C2CN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(=O)[n-]c1=O ZINC001222314363 1225617734 /nfs/dbraw/zinc/61/77/34/1225617734.db2.gz IMMGMCPKOIUXSB-CHWSQXEVSA-N 0 1 358.402 0.014 20 30 FCEDMN C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(Cc3cccc(OC)n3)[C@H]2C1 ZINC001222542603 1225633203 /nfs/dbraw/zinc/63/32/03/1225633203.db2.gz NOVVBSCRUSOFPG-WBVHZDCISA-N 0 1 370.453 0.653 20 30 FCEDMN C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(Cc3conc3CC)[C@H]2C1 ZINC001222562891 1225633999 /nfs/dbraw/zinc/63/39/99/1225633999.db2.gz WKGJDSVTOUVSBH-PBHICJAKSA-N 0 1 358.442 0.799 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC001055647002 1215897048 /nfs/dbraw/zinc/89/70/48/1215897048.db2.gz LHOCPGQWJHUBKK-IKGGRYGDSA-N 0 1 365.474 0.453 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NC(=O)CCOCC)CC1 ZINC001055647165 1215897171 /nfs/dbraw/zinc/89/71/71/1215897171.db2.gz NYSGAGKFTOARTI-SJORKVTESA-N 0 1 367.490 0.701 20 30 FCEDMN C=CCO[C@@H](C)C(=O)NC1CCN(CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055646874 1215897461 /nfs/dbraw/zinc/89/74/61/1215897461.db2.gz ILGMLIQQTXVMJB-VYDXJSESSA-N 0 1 367.490 0.699 20 30 FCEDMN N#Cc1cnc(NC[C@]23CCC[C@H]2CN(C(=O)Cc2ncn[nH]2)C3)cn1 ZINC001055665096 1215903337 /nfs/dbraw/zinc/90/33/37/1215903337.db2.gz YLOCYPPCKCDIMP-SJCJKPOMSA-N 0 1 352.402 0.750 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2[nH]ncc2F)C1 ZINC001056110708 1215948362 /nfs/dbraw/zinc/94/83/62/1215948362.db2.gz MSWUTKSFNMBQQA-ZUCKAHLUSA-N 0 1 366.393 0.223 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001000009065 1215990872 /nfs/dbraw/zinc/99/08/72/1215990872.db2.gz LKDJBTHYMJOJRZ-WBVHZDCISA-N 0 1 367.409 0.799 20 30 FCEDMN C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@@H]21 ZINC001222715771 1225646828 /nfs/dbraw/zinc/64/68/28/1225646828.db2.gz OBPDHMZZUUOPIT-WBVHZDCISA-N 0 1 359.474 0.671 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@@H]21 ZINC001222715771 1225646831 /nfs/dbraw/zinc/64/68/31/1225646831.db2.gz OBPDHMZZUUOPIT-WBVHZDCISA-N 0 1 359.474 0.671 20 30 FCEDMN COCC#CCN1CC[C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@@H]21 ZINC001222679674 1225644742 /nfs/dbraw/zinc/64/47/42/1225644742.db2.gz NRYSZUKFEDOIMU-MSOLQXFVSA-N 0 1 357.454 0.729 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CCNC(=O)NC(C)C)[C@H]2C1 ZINC001222676151 1225645067 /nfs/dbraw/zinc/64/50/67/1225645067.db2.gz UCFCLXUHJANVKY-BBWFWOEESA-N 0 1 364.490 0.655 20 30 FCEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057257725 1216281479 /nfs/dbraw/zinc/28/14/79/1216281479.db2.gz NHOONLYSLPUBAX-RDJZCZTQSA-N 0 1 364.446 0.261 20 30 FCEDMN C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@@H]21 ZINC001222855787 1225660373 /nfs/dbraw/zinc/66/03/73/1225660373.db2.gz WAOPOBUXLNEZMS-WBVHZDCISA-N 0 1 359.474 0.496 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@@H]21 ZINC001222855787 1225660376 /nfs/dbraw/zinc/66/03/76/1225660376.db2.gz WAOPOBUXLNEZMS-WBVHZDCISA-N 0 1 359.474 0.496 20 30 FCEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@@H]2C1 ZINC001050101919 1216285447 /nfs/dbraw/zinc/28/54/47/1216285447.db2.gz BFSYLJRXZKDIQO-MANSERQUSA-N 0 1 361.486 0.422 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)CCN1c1ncccc1C#N ZINC001050460014 1216321219 /nfs/dbraw/zinc/32/12/19/1216321219.db2.gz DOZFLGFPMLINPA-BZPMIXESSA-N 0 1 351.414 0.960 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)CCN1c1ncccc1C#N ZINC001050460014 1216321228 /nfs/dbraw/zinc/32/12/28/1216321228.db2.gz DOZFLGFPMLINPA-BZPMIXESSA-N 0 1 351.414 0.960 20 30 FCEDMN CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1n1ccnn1 ZINC001051423104 1216439203 /nfs/dbraw/zinc/43/92/03/1216439203.db2.gz CHZLRFFTWHPEHS-PMPSAXMXSA-N 0 1 366.429 0.185 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C[C@@H]21 ZINC001222993660 1225671920 /nfs/dbraw/zinc/67/19/20/1225671920.db2.gz ULNLJXDFYJSMJH-RYRKJORJSA-N 0 1 371.485 0.986 20 30 FCEDMN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CNCc2ccccc2C#N)C1 ZINC001051828171 1216482774 /nfs/dbraw/zinc/48/27/74/1216482774.db2.gz ZGOMXZCBYXMYCQ-KURKYZTESA-N 0 1 370.453 0.600 20 30 FCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052092383 1216497580 /nfs/dbraw/zinc/49/75/80/1216497580.db2.gz ZLXNMHFSDRYQCA-GBESFXJTSA-N 0 1 355.486 0.765 20 30 FCEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCN1C ZINC001057707838 1216505270 /nfs/dbraw/zinc/50/52/70/1216505270.db2.gz HTOJCQDZUKGYAT-BBWFWOEESA-N 0 1 367.490 0.389 20 30 FCEDMN CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnccc1C#N)C2 ZINC001276861311 1225678401 /nfs/dbraw/zinc/67/84/01/1225678401.db2.gz OWIOLUSYHUNTHS-LJQANCHMSA-N 0 1 355.442 0.970 20 30 FCEDMN CN(C)C(=O)CN1CC[C@@]2(C1)CCCN(C(=O)c1cnccc1C#N)C2 ZINC001276861311 1225678404 /nfs/dbraw/zinc/67/84/04/1225678404.db2.gz OWIOLUSYHUNTHS-LJQANCHMSA-N 0 1 355.442 0.970 20 30 FCEDMN C[C@]12CN(C(=O)CCc3cnc[nH]3)C[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001052615937 1216577054 /nfs/dbraw/zinc/57/70/54/1216577054.db2.gz JRJSEBQCERCJDZ-ACJLOTCBSA-N 0 1 351.414 0.989 20 30 FCEDMN C[C@]12CN(C(=O)CCc3cnc[nH]3)C[C@H]1CN(c1nccnc1C#N)C2 ZINC001052615923 1216577171 /nfs/dbraw/zinc/57/71/71/1216577171.db2.gz JEFPLKDAAGGYAF-SCLBCKFNSA-N 0 1 351.414 0.989 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCN1CC ZINC001057865164 1216596875 /nfs/dbraw/zinc/59/68/75/1216596875.db2.gz FKTUAJMAWCGBOR-IKGGRYGDSA-N 0 1 367.490 0.389 20 30 FCEDMN C#CCN1CCC(C(=O)N(CCO)CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001057861163 1216597051 /nfs/dbraw/zinc/59/70/51/1216597051.db2.gz KJTQWGYVZXIXSO-YLJYHZDGSA-N 0 1 361.486 0.459 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001057969592 1216614394 /nfs/dbraw/zinc/61/43/94/1216614394.db2.gz BZKSYNCGNHXSBY-KQTLUZQSSA-N 0 1 362.430 0.041 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC001223165314 1225685436 /nfs/dbraw/zinc/68/54/36/1225685436.db2.gz BNVQATHMKUKVDG-CVEARBPZSA-N 0 1 357.458 0.025 20 30 FCEDMN Cn1c(CN2CCOC[C@@]3(CC(=O)N(CCCC#N)C3)C2)cccc1=O ZINC001276868436 1225685480 /nfs/dbraw/zinc/68/54/80/1225685480.db2.gz MRVNNRIJVRNIML-IBGZPJMESA-N 0 1 358.442 0.740 20 30 FCEDMN C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3nc(C)no3)C[C@@H]21 ZINC001223221459 1225690956 /nfs/dbraw/zinc/69/09/56/1225690956.db2.gz AJDXBIWVWPDGBF-CABCVRRESA-N 0 1 361.446 0.536 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCc3nc(C)no3)C[C@@H]21 ZINC001223221459 1225690958 /nfs/dbraw/zinc/69/09/58/1225690958.db2.gz AJDXBIWVWPDGBF-CABCVRRESA-N 0 1 361.446 0.536 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](n2ccnn2)C1 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30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)OCc2c[nH]nn2)C[C@H]1OC ZINC001575093661 1271717046 /nfs/dbraw/zinc/71/70/46/1271717046.db2.gz NKQPXJZQCXLCCO-NWANDNLSSA-N 0 1 365.434 0.408 20 30 FCEDMN C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CCCc2cn[nH]n2)C1=O ZINC001575103416 1271719491 /nfs/dbraw/zinc/71/94/91/1271719491.db2.gz BSECRUJLULSMCZ-CVEARBPZSA-N 0 1 360.462 0.495 20 30 FCEDMN C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)C1=O ZINC001575103416 1271719502 /nfs/dbraw/zinc/71/95/02/1271719502.db2.gz BSECRUJLULSMCZ-CVEARBPZSA-N 0 1 360.462 0.495 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575103507 1271719923 /nfs/dbraw/zinc/71/99/23/1271719923.db2.gz FFCUHTZVBBCHQZ-GFCCVEGCSA-N 0 1 369.429 0.219 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575103802 1271721450 /nfs/dbraw/zinc/72/14/50/1271721450.db2.gz IIFYEINJODCJCR-CQSZACIVSA-N 0 1 369.429 0.363 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575104130 1271721964 /nfs/dbraw/zinc/72/19/64/1271721964.db2.gz NENOIULHHPAKMN-GFCCVEGCSA-N 0 1 369.429 0.314 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2-c2cn[nH]n2)C1 ZINC001575109934 1271722978 /nfs/dbraw/zinc/72/29/78/1271722978.db2.gz GFZFMJZSMDWIGK-HNNXBMFYSA-N 0 1 369.425 0.934 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@H](NC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575109686 1271723492 /nfs/dbraw/zinc/72/34/92/1271723492.db2.gz BZAUWJJZTCMIGI-HNNXBMFYSA-N 0 1 370.413 0.790 20 30 FCEDMN C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)CCCc2c[nH]nn2)C1 ZINC001575109706 1271724260 /nfs/dbraw/zinc/72/42/60/1271724260.db2.gz CHHSDPWCTIMAER-UKRRQHHQSA-N 0 1 365.434 0.062 20 30 FCEDMN C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)CCCc2cnn[nH]2)C1 ZINC001575109706 1271724267 /nfs/dbraw/zinc/72/42/67/1271724267.db2.gz CHHSDPWCTIMAER-UKRRQHHQSA-N 0 1 365.434 0.062 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575111538 1271724613 /nfs/dbraw/zinc/72/46/13/1271724613.db2.gz GJVFXRSOVWMNSO-DOMZBBRYSA-N 0 1 356.386 0.304 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CCOCc2c[nH]nn2)CC1 ZINC001575112058 1271725888 /nfs/dbraw/zinc/72/58/88/1271725888.db2.gz NDHALPBOFQQASP-KGLIPLIRSA-N 0 1 363.418 0.068 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(C)n1C[C@]1(C)CN(C2CC2)C1=O ZINC001575121659 1271731318 /nfs/dbraw/zinc/73/13/18/1271731318.db2.gz LCBYWZKGYOLLPS-GOSISDBHSA-N 0 1 368.445 0.745 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCOCc2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001575122272 1271732178 /nfs/dbraw/zinc/73/21/78/1271732178.db2.gz DVGQDYNQVXUJSH-CHWSQXEVSA-N 0 1 359.352 0.714 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC001575119117 1271732617 /nfs/dbraw/zinc/73/26/17/1271732617.db2.gz UQCNIZJKQAMOAD-UHFFFAOYSA-N 0 1 354.374 0.715 20 30 FCEDMN CC(C)(C)OC(=O)CN1CCC(NC(=O)N[C@@H]2CNC[C@H]2C#N)CC1 ZINC001575160006 1271755557 /nfs/dbraw/zinc/75/55/57/1271755557.db2.gz BWTCBEZRLQGXLR-TZMCWYRMSA-N 0 1 351.451 0.203 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575176112 1271763814 /nfs/dbraw/zinc/76/38/14/1271763814.db2.gz DPGLLGMLVOGHAC-OLZOCXBDSA-N 0 1 367.413 0.947 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575176615 1271764965 /nfs/dbraw/zinc/76/49/65/1271764965.db2.gz GMASVXXFXSTXKE-CHWSQXEVSA-N 0 1 367.413 0.947 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575176762 1271765200 /nfs/dbraw/zinc/76/52/00/1271765200.db2.gz HLIFCSKUZUMFCL-TZMCWYRMSA-N 0 1 370.413 0.109 20 30 FCEDMN C[C@@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)c2ccncn2)CC1 ZINC001575178956 1271766822 /nfs/dbraw/zinc/76/68/22/1271766822.db2.gz ROFOJXFLPMTOLY-LBPRGKRZSA-N 0 1 368.401 0.388 20 30 FCEDMN C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN([C@H](C)c2nnnn2C)CC1 ZINC001575177386 1271768187 /nfs/dbraw/zinc/76/81/87/1271768187.db2.gz KVTUNMWXVYNSJR-VXGBXAGGSA-N 0 1 372.437 0.042 20 30 FCEDMN C[C@@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN([C@@H](C)c2nnnn2C)CC1 ZINC001575177385 1271768391 /nfs/dbraw/zinc/76/83/91/1271768391.db2.gz KVTUNMWXVYNSJR-RYUDHWBXSA-N 0 1 372.437 0.042 20 30 FCEDMN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001575222297 1271812911 /nfs/dbraw/zinc/81/29/11/1271812911.db2.gz KPVBPZKZSUKTOM-NRXGSXMXSA-N 0 1 370.457 0.336 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H](O)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575246329 1271851119 /nfs/dbraw/zinc/85/11/19/1271851119.db2.gz LVLSKDRCPSMHHP-AWEZNQCLSA-N 0 1 370.413 0.123 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575318790 1271919745 /nfs/dbraw/zinc/91/97/45/1271919745.db2.gz QPRIQRLFGJYDNA-GJZGRUSLSA-N 0 1 364.409 0.951 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)C(C)(C)C1 ZINC001575319004 1271922367 /nfs/dbraw/zinc/92/23/67/1271922367.db2.gz VKOPKVVPMFCTKO-HIFRSBDPSA-N 0 1 361.446 0.722 20 30 FCEDMN C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001575538780 1272185812 /nfs/dbraw/zinc/18/58/12/1272185812.db2.gz AWURVTYKTWZIRH-QWRGUYRKSA-N 0 1 359.390 0.234 20 30 FCEDMN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001575553821 1272192466 /nfs/dbraw/zinc/19/24/66/1272192466.db2.gz DIXJPARCWSILTL-MNOVXSKESA-N 0 1 359.390 0.186 20 30 FCEDMN C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575567198 1272202728 /nfs/dbraw/zinc/20/27/28/1272202728.db2.gz SAUSQKBGSFBPPW-LLVKDONJSA-N 0 1 363.385 0.783 20 30 FCEDMN C[C@H](CN(C)C(=O)c1cncc(-c2cn[nH]n2)c1)NC(=O)C#CC1CC1 ZINC001575565892 1272203553 /nfs/dbraw/zinc/20/35/53/1272203553.db2.gz YBXSJAAYCGOGSN-GFCCVEGCSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@@H](NC(=O)C#CC1CC1)[C@@H](C)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575632966 1272243004 /nfs/dbraw/zinc/24/30/04/1272243004.db2.gz FYYMHGTUWRFASQ-ZIAGYGMSSA-N 0 1 372.473 0.440 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001575717377 1272362139 /nfs/dbraw/zinc/36/21/39/1272362139.db2.gz DCLMFMIUWWKTJF-LBPRGKRZSA-N 0 1 370.417 0.499 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001575717641 1272366508 /nfs/dbraw/zinc/36/65/08/1272366508.db2.gz FFBHIFSDSJRVCH-ZFWWWQNUSA-N 0 1 359.430 0.430 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1C#N ZINC001575735006 1272402810 /nfs/dbraw/zinc/40/28/10/1272402810.db2.gz KJPMFRDCIGPQER-WQVCFCJDSA-N 0 1 367.413 0.856 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001575735295 1272404424 /nfs/dbraw/zinc/40/44/24/1272404424.db2.gz NTDQWZLPMIMCHC-AWEZNQCLSA-N 0 1 371.441 0.788 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001575831106 1272498416 /nfs/dbraw/zinc/49/84/16/1272498416.db2.gz ZNJZJHBAHDEMCD-KEYYUXOJSA-N 0 1 373.457 0.867 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001575845016 1272520256 /nfs/dbraw/zinc/52/02/56/1272520256.db2.gz UZZHSUWSPIIJRQ-NSHDSACASA-N 0 1 371.401 0.378 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001575846695 1272522241 /nfs/dbraw/zinc/52/22/41/1272522241.db2.gz LRIVLYWTGIVZMC-RISCZKNCSA-N 0 1 370.417 0.403 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC1(Nc2cnc(C#N)cn2)CCCC1 ZINC001575857532 1272531476 /nfs/dbraw/zinc/53/14/76/1272531476.db2.gz KWMZGKANXDIBMQ-GFCCVEGCSA-N 0 1 370.417 0.913 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]21 ZINC001575886536 1272546436 /nfs/dbraw/zinc/54/64/36/1272546436.db2.gz JKIHJQVCSGLXBS-UYHMYPTGSA-N 0 1 359.430 0.332 20 30 FCEDMN C[C@H]1[C@H](NC(=O)C#CC2CC2)CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001576012594 1272714040 /nfs/dbraw/zinc/71/40/40/1272714040.db2.gz WCGNWBBOBDTQGZ-BLLLJJGKSA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576049302 1272778112 /nfs/dbraw/zinc/77/81/12/1272778112.db2.gz ZYAONWDQHGLRBX-AAEUAGOBSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001576111624 1272899259 /nfs/dbraw/zinc/89/92/59/1272899259.db2.gz ZNQJLQXHACWXNP-CHWSQXEVSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001576111624 1272899280 /nfs/dbraw/zinc/89/92/80/1272899280.db2.gz ZNQJLQXHACWXNP-CHWSQXEVSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001576123629 1272916950 /nfs/dbraw/zinc/91/69/50/1272916950.db2.gz LHCWVZXUFMTEIE-SWLSCSKDSA-N 0 1 355.402 0.937 20 30 FCEDMN C[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001576123627 1272917021 /nfs/dbraw/zinc/91/70/21/1272917021.db2.gz LHCWVZXUFMTEIE-IUODEOHRSA-N 0 1 355.402 0.937 20 30 FCEDMN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001576129017 1272927678 /nfs/dbraw/zinc/92/76/78/1272927678.db2.gz FQSJEJLZKRNCLC-OCCSQVGLSA-N 0 1 369.429 0.852 20 30 FCEDMN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001576129017 1272927685 /nfs/dbraw/zinc/92/76/85/1272927685.db2.gz FQSJEJLZKRNCLC-OCCSQVGLSA-N 0 1 369.429 0.852 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCCc1c[nH]nn1 ZINC001576130432 1272930209 /nfs/dbraw/zinc/93/02/09/1272930209.db2.gz IVVXWNOWTBRKGD-IAQYHMDHSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCCc1cnn[nH]1 ZINC001576130432 1272930218 /nfs/dbraw/zinc/93/02/18/1272930218.db2.gz IVVXWNOWTBRKGD-IAQYHMDHSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576295311 1273107348 /nfs/dbraw/zinc/10/73/48/1273107348.db2.gz VTHZVHHFHRZJMN-MEBBXXQBSA-N 0 1 363.385 0.456 20 30 FCEDMN CCCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H](C)OCc1c[nH]nn1 ZINC001576479399 1273319984 /nfs/dbraw/zinc/31/99/84/1273319984.db2.gz CTLZEGKGYRCASE-LBPRGKRZSA-N 0 1 373.417 0.578 20 30 FCEDMN C[N@H+](CC(=O)NCc1cn[nH]n1)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001576761913 1273636107 /nfs/dbraw/zinc/63/61/07/1273636107.db2.gz NUCVSJWZNNGLFX-OAHLLOKOSA-N 0 1 360.462 0.393 20 30 FCEDMN C[N@H+](CC(=O)NCc1cn[nH]n1)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001576761912 1273637668 /nfs/dbraw/zinc/63/76/68/1273637668.db2.gz NUCVSJWZNNGLFX-HNNXBMFYSA-N 0 1 360.462 0.393 20 30 FCEDMN Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577256661 1274285446 /nfs/dbraw/zinc/28/54/46/1274285446.db2.gz WMWQEQMKOUUGLX-CYBMUJFWSA-N 0 1 370.417 0.467 20 30 FCEDMN Cc1cc(N(C)CCN(C)C(=O)[C@H](C)OCc2c[nH]nn2)c(C#N)cn1 ZINC001577338774 1274348551 /nfs/dbraw/zinc/34/85/51/1274348551.db2.gz MJFYOJRZWRJRRV-ZDUSSCGKSA-N 0 1 357.418 0.880 20 30 FCEDMN N#CCN(Cc1c[nH]nn1)C(=O)c1c(Br)nc2n1CCC2 ZINC001577706595 1274766945 /nfs/dbraw/zinc/76/69/45/1274766945.db2.gz MDGAUNQMMAHKDW-UHFFFAOYSA-N 0 1 350.180 0.876 20 30 FCEDMN N#CCSCC(=O)N1CCC[C@@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001577710125 1274771946 /nfs/dbraw/zinc/77/19/46/1274771946.db2.gz PXJFEIXGLAVRGV-CYBMUJFWSA-N 0 1 350.448 0.491 20 30 FCEDMN N#CCSCC(=O)N1CCC[C@@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001577710125 1274771953 /nfs/dbraw/zinc/77/19/53/1274771953.db2.gz PXJFEIXGLAVRGV-CYBMUJFWSA-N 0 1 350.448 0.491 20 30 FCEDMN N#Cc1cc(C(=O)NCCCNC(=O)c2ccc(-c3c[nH]nn3)nc2)c[nH]1 ZINC001577712160 1274772022 /nfs/dbraw/zinc/77/20/22/1274772022.db2.gz CEGJPPDQXNHKSE-UHFFFAOYSA-N 0 1 364.369 0.616 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCc1c[nH]nn1 ZINC001577710172 1274772996 /nfs/dbraw/zinc/77/29/96/1274772996.db2.gz RHHHAALFLGDQGQ-ZIAGYGMSSA-N 0 1 364.475 0.928 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCc1cnn[nH]1 ZINC001577710172 1274773008 /nfs/dbraw/zinc/77/30/08/1274773008.db2.gz RHHHAALFLGDQGQ-ZIAGYGMSSA-N 0 1 364.475 0.928 20 30 FCEDMN N#Cc1ccc(N2CC[C@@](O)(CNC(=O)CCCc3c[nH]nn3)C2)nc1 ZINC001577715379 1274774061 /nfs/dbraw/zinc/77/40/61/1274774061.db2.gz NSZDIFLTVSUMIT-QGZVFWFLSA-N 0 1 355.402 0.152 20 30 FCEDMN N#Cc1ccc(N2CC[C@@](O)(CNC(=O)CCCc3cnn[nH]3)C2)nc1 ZINC001577715379 1274774068 /nfs/dbraw/zinc/77/40/68/1274774068.db2.gz NSZDIFLTVSUMIT-QGZVFWFLSA-N 0 1 355.402 0.152 20 30 FCEDMN N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)c[nH]1 ZINC001577712652 1274774457 /nfs/dbraw/zinc/77/44/57/1274774457.db2.gz UMYSGKZTPNQVKJ-QYHDQYMBSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1ccccc1CN1CC(O)(CNC(=O)CCCc2c[nH]nn2)C1 ZINC001577717395 1274777016 /nfs/dbraw/zinc/77/70/16/1274777016.db2.gz CLAFWRIPVARIHT-UHFFFAOYSA-N 0 1 354.414 0.362 20 30 FCEDMN N#Cc1ccccc1CN1CC(O)(CNC(=O)CCCc2cnn[nH]2)C1 ZINC001577717395 1274777024 /nfs/dbraw/zinc/77/70/24/1274777024.db2.gz CLAFWRIPVARIHT-UHFFFAOYSA-N 0 1 354.414 0.362 20 30 FCEDMN N#Cc1cnc(N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)c(F)c1 ZINC001577718915 1274782533 /nfs/dbraw/zinc/78/25/33/1274782533.db2.gz AWEUKGDESBBKQJ-GFCCVEGCSA-N 0 1 359.365 0.830 20 30 FCEDMN N#Cc1cnc(N2CC[C@H](CNC(=O)CCCCc3cn[nH]n3)C2)cn1 ZINC001577718908 1274782640 /nfs/dbraw/zinc/78/26/40/1274782640.db2.gz AQISMXAAWBJUHL-CYBMUJFWSA-N 0 1 354.418 0.822 20 30 FCEDMN COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1C(=O)N1CCNCC1 ZINC001579138813 1276847419 /nfs/dbraw/zinc/84/74/19/1276847419.db2.gz CCNXWKKHRCEPEF-HNNXBMFYSA-N 0 1 357.414 0.995 20 30 FCEDMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579148388 1276879321 /nfs/dbraw/zinc/87/93/21/1276879321.db2.gz SHSOBXHDFNPALL-UHFFFAOYSA-N 0 1 352.362 0.065 20 30 FCEDMN CN(CCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C ZINC001579152306 1276888331 /nfs/dbraw/zinc/88/83/31/1276888331.db2.gz KIOILPAHPHUUCO-UHFFFAOYSA-N 0 1 359.394 0.831 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001579286757 1277110286 /nfs/dbraw/zinc/11/02/86/1277110286.db2.gz OHVHMYZBEXUNSW-CYBMUJFWSA-N 0 1 361.369 0.770 20 30 FCEDMN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579433794 1277304558 /nfs/dbraw/zinc/30/45/58/1277304558.db2.gz PFVKNELBRKGKHF-VHSXEESVSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)c1cc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)n(C)c1C ZINC001579478735 1277383761 /nfs/dbraw/zinc/38/37/61/1277383761.db2.gz RHIJPICVRMBFOP-UHFFFAOYSA-N 0 1 353.346 0.574 20 30 FCEDMN COCCN(CCNC(=O)[C@@H](C)C#N)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579793298 1277914192 /nfs/dbraw/zinc/91/41/92/1277914192.db2.gz RMYDKVYMONJIIN-ZDUSSCGKSA-N 0 1 357.418 0.591 20 30 FCEDMN CSc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1C#N ZINC001580232439 1278051199 /nfs/dbraw/zinc/05/11/99/1278051199.db2.gz JQELXFGTJDQDLJ-SECBINFHSA-N 0 1 369.414 0.929 20 30 FCEDMN CSc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc1C#N ZINC001580232440 1278052142 /nfs/dbraw/zinc/05/21/42/1278052142.db2.gz JQELXFGTJDQDLJ-VIFPVBQESA-N 0 1 369.414 0.929 20 30 FCEDMN Cc1cc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974713 1279175276 /nfs/dbraw/zinc/17/52/76/1279175276.db2.gz RDFKVBVWETXYOK-IFUGULHKSA-N 0 1 352.402 0.767 20 30 FCEDMN Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580987341 1279185684 /nfs/dbraw/zinc/18/56/84/1279185684.db2.gz BKTIAXVHGXXXOF-MNOVXSKESA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581007036 1279226920 /nfs/dbraw/zinc/22/69/20/1279226920.db2.gz GAFWAJSLCARNQM-GFCCVEGCSA-N 0 1 363.385 0.518 20 30 FCEDMN Cc1cc(NC[C@@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011431 1279238153 /nfs/dbraw/zinc/23/81/53/1279238153.db2.gz KLEPAXKMYDOIDP-BONVTDFDSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cccc(OC[C@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001581247138 1279523827 /nfs/dbraw/zinc/52/38/27/1279523827.db2.gz YPOWMQUSJZWQFK-LLVKDONJSA-N 0 1 352.358 0.689 20 30 FCEDMN CC(C)N(Cc1ccccc1)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001603330976 1287357645 /nfs/dbraw/zinc/35/76/45/1287357645.db2.gz PBFAYYXBDGFMFH-UHFFFAOYSA-N 0 1 365.401 0.954 20 30 FCEDMN N#CCSCC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581858315 1280607446 /nfs/dbraw/zinc/60/74/46/1280607446.db2.gz ABCKXDONXIVKMB-UHFFFAOYSA-N 0 1 371.430 0.166 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1ccc(N2CCOCC2)cc1 ZINC001581860527 1280612483 /nfs/dbraw/zinc/61/24/83/1280612483.db2.gz FMNLPCLTTLZUAV-UHFFFAOYSA-N 0 1 351.374 0.402 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581865078 1280619505 /nfs/dbraw/zinc/61/95/05/1280619505.db2.gz CUSMMAGXLVESMH-NSHDSACASA-N 0 1 363.385 0.718 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001581867265 1280623465 /nfs/dbraw/zinc/62/34/65/1280623465.db2.gz AOLDCCXQXJZADF-NSHDSACASA-N 0 1 363.385 0.718 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]1 ZINC001581867369 1280623818 /nfs/dbraw/zinc/62/38/18/1280623818.db2.gz FWFJUVNCUMWDDM-UHFFFAOYSA-N 0 1 362.397 0.928 20 30 FCEDMN N#Cc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)cc1F ZINC001581872136 1280626859 /nfs/dbraw/zinc/62/68/59/1280626859.db2.gz MBRSWBFTNYIEGK-UHFFFAOYSA-N 0 1 359.346 0.751 20 30 FCEDMN N#Cc1ccc(N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2=O)cc1 ZINC001581871455 1280627225 /nfs/dbraw/zinc/62/72/25/1280627225.db2.gz VLKGVGHPPLWFJQ-ZDUSSCGKSA-N 0 1 361.369 0.558 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CC(=O)N(c3ccccc3F)C2)nc1-c1nn[nH]n1 ZINC001581882583 1280642998 /nfs/dbraw/zinc/64/29/98/1280642998.db2.gz DHFZQDOKWRGUNT-SECBINFHSA-N 0 1 365.332 0.885 20 30 FCEDMN N#Cc1ncc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC001581882441 1280643501 /nfs/dbraw/zinc/64/35/01/1280643501.db2.gz YYLJVOGUWJNEGV-UHFFFAOYSA-N 0 1 361.369 0.491 20 30 FCEDMN N#Cc1ncc(NC[C@H](O)COc2cccc(F)c2)nc1-c1nn[nH]n1 ZINC001581882560 1280645700 /nfs/dbraw/zinc/64/57/00/1280645700.db2.gz CWFZAQCEUWEWOT-JTQLQIEISA-N 0 1 356.321 0.519 20 30 FCEDMN N#Cc1ncc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)nc1-c1nn[nH]n1 ZINC001581883131 1280646070 /nfs/dbraw/zinc/64/60/70/1280646070.db2.gz OZUWLPHXYYZVCE-JTQLQIEISA-N 0 1 367.348 0.424 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)nc1-c1nn[nH]n1 ZINC001581883250 1280647719 /nfs/dbraw/zinc/64/77/19/1280647719.db2.gz STKYRHDGFRFMSI-LLVKDONJSA-N 0 1 353.390 0.731 20 30 FCEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581912525 1280713744 /nfs/dbraw/zinc/71/37/44/1280713744.db2.gz OWWHNBZHCWMLJE-CQSZACIVSA-N 0 1 351.414 0.890 20 30 FCEDMN C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603921737 1287538461 /nfs/dbraw/zinc/53/84/61/1287538461.db2.gz UWWRYTVNZZTVKQ-YPMHNXCESA-N 0 1 372.458 0.589 20 30 FCEDMN C#C[C@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@@H]1CCOC1 ZINC001588326532 1282418395 /nfs/dbraw/zinc/41/83/95/1282418395.db2.gz OKUDESHSNOQAOJ-QWRGUYRKSA-N 0 1 368.405 0.343 20 30 FCEDMN C#C[C@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588327518 1282419461 /nfs/dbraw/zinc/41/94/61/1282419461.db2.gz KPAHAEGGTCEJAD-SECBINFHSA-N 0 1 350.360 0.855 20 30 FCEDMN C#CCC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 ZINC001588335629 1282426818 /nfs/dbraw/zinc/42/68/18/1282426818.db2.gz SPPMWSZPSJUSLF-UHFFFAOYSA-N 0 1 362.371 0.999 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335890 1282429236 /nfs/dbraw/zinc/42/92/36/1282429236.db2.gz BOSKKNRZYZMXJQ-KBPBESRZSA-N 0 1 368.445 0.779 20 30 FCEDMN C#CCCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CCO1 ZINC001588340184 1282433995 /nfs/dbraw/zinc/43/39/95/1282433995.db2.gz IARUTPAYWOSWFX-AWEZNQCLSA-N 0 1 369.429 0.695 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1OC ZINC001588340916 1282436447 /nfs/dbraw/zinc/43/64/47/1282436447.db2.gz LMDSHJZKQBOXEP-GDBMZVCRSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588351037 1282445746 /nfs/dbraw/zinc/44/57/46/1282445746.db2.gz ZCEKIMQCXCGBTE-LLVKDONJSA-N 0 1 354.349 0.820 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588354836 1282449603 /nfs/dbraw/zinc/44/96/03/1282449603.db2.gz AXMHSDQOCZRYKO-OLZOCXBDSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588354992 1282450984 /nfs/dbraw/zinc/45/09/84/1282450984.db2.gz CVXGCCJVTYOTFF-QWHCGFSZSA-N 0 1 372.433 0.060 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001588356642 1282460478 /nfs/dbraw/zinc/46/04/78/1282460478.db2.gz YWBDBZRNSHRYTH-UONOGXRCSA-N 0 1 371.445 0.665 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356598 1282460903 /nfs/dbraw/zinc/46/09/03/1282460903.db2.gz YEVXPTQMVXFJLZ-QWHCGFSZSA-N 0 1 357.418 0.549 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1 ZINC001588356836 1282462369 /nfs/dbraw/zinc/46/23/69/1282462369.db2.gz GOBORYFMDDURMU-ZBFHGGJFSA-N 0 1 368.441 0.938 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588358288 1282469070 /nfs/dbraw/zinc/46/90/70/1282469070.db2.gz QHPVIQXNYRUMQL-LBPRGKRZSA-N 0 1 370.417 0.122 20 30 FCEDMN C#CCOCCC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588360059 1282475905 /nfs/dbraw/zinc/47/59/05/1282475905.db2.gz HDTFHFGURNNMJV-UHFFFAOYSA-N 0 1 372.433 0.015 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1CC ZINC001588359823 1282476026 /nfs/dbraw/zinc/47/60/26/1282476026.db2.gz CMYUJFHSSQWBSL-RWMBFGLXSA-N 0 1 370.417 0.169 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588359717 1282477162 /nfs/dbraw/zinc/47/71/62/1282477162.db2.gz XAPSOOUDVPMVDY-CYBMUJFWSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCO[C@@H](C)C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001588359710 1282477178 /nfs/dbraw/zinc/47/71/78/1282477178.db2.gz ALRMBUFGFXANIO-NSHDSACASA-N 0 1 352.358 0.483 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588360143 1282479254 /nfs/dbraw/zinc/47/92/54/1282479254.db2.gz JOJZEJKPQIFKCY-SRVKXCTJSA-N 0 1 360.443 0.703 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588360143 1282479258 /nfs/dbraw/zinc/47/92/58/1282479258.db2.gz JOJZEJKPQIFKCY-SRVKXCTJSA-N 0 1 360.443 0.703 20 30 FCEDMN C#CCOCCC(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001588361088 1282481140 /nfs/dbraw/zinc/48/11/40/1282481140.db2.gz DLGIZCYWYYXRSC-UHFFFAOYSA-N 0 1 372.404 0.784 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001588362391 1282487749 /nfs/dbraw/zinc/48/77/49/1282487749.db2.gz CYXCSEXODSRZSQ-ZIAGYGMSSA-N 0 1 369.429 0.490 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362905 1282488769 /nfs/dbraw/zinc/48/87/69/1282488769.db2.gz YFDOLPJZCWDPQE-HDJSIYSDSA-N 0 1 369.429 0.339 20 30 FCEDMN C#CCn1ccc(CN(CC)S(=O)(=O)c2cccnc2-c2nn[nH]n2)n1 ZINC001588364137 1282489844 /nfs/dbraw/zinc/48/98/44/1282489844.db2.gz WDAYDRBGGGCVND-UHFFFAOYSA-N 0 1 372.414 0.302 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001588364869 1282491268 /nfs/dbraw/zinc/49/12/68/1282491268.db2.gz OEEGFTFBZXUDCN-IUODEOHRSA-N 0 1 374.408 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCCNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588365239 1282492240 /nfs/dbraw/zinc/49/22/40/1282492240.db2.gz QPWWHZXDZUHJBW-UHFFFAOYSA-N 0 1 362.397 0.634 20 30 FCEDMN C=C(C)[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001588402913 1282500747 /nfs/dbraw/zinc/50/07/47/1282500747.db2.gz PIMHXERPWRVKBR-OLZOCXBDSA-N 0 1 372.433 0.723 20 30 FCEDMN C=C(C)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588415054 1282504235 /nfs/dbraw/zinc/50/42/35/1282504235.db2.gz BEAVRCPYKMHKNR-RYUDHWBXSA-N 0 1 358.406 0.069 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588483439 1282520397 /nfs/dbraw/zinc/52/03/97/1282520397.db2.gz KCLOBAAUVPXOBV-LBPRGKRZSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588496581 1282525733 /nfs/dbraw/zinc/52/57/33/1282525733.db2.gz SQMYIFAWYRJPOS-SJCJKPOMSA-N 0 1 374.449 0.826 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588498490 1282525912 /nfs/dbraw/zinc/52/59/12/1282525912.db2.gz AMJSAUQQHFCPFR-QGZVFWFLSA-N 0 1 362.409 0.881 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588498954 1282528333 /nfs/dbraw/zinc/52/83/33/1282528333.db2.gz FOSFPOKPIPFYPN-SCLBCKFNSA-N 0 1 371.445 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588500084 1282531280 /nfs/dbraw/zinc/53/12/80/1282531280.db2.gz QMYZUBJGKOYBJD-OAHLLOKOSA-N 0 1 350.448 0.803 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588500084 1282531286 /nfs/dbraw/zinc/53/12/86/1282531286.db2.gz QMYZUBJGKOYBJD-OAHLLOKOSA-N 0 1 350.448 0.803 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588500144 1282532544 /nfs/dbraw/zinc/53/25/44/1282532544.db2.gz RLCBPABAOIIDHG-QGZVFWFLSA-N 0 1 372.433 0.056 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588502989 1282539434 /nfs/dbraw/zinc/53/94/34/1282539434.db2.gz VVAXBFPGCJIEGV-VCMHEYGDSA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588503231 1282540518 /nfs/dbraw/zinc/54/05/18/1282540518.db2.gz XNYVWOBBAKMNTB-KRWDZBQOSA-N 0 1 357.418 0.546 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588503018 1282540659 /nfs/dbraw/zinc/54/06/59/1282540659.db2.gz WFUCGPVNVPPWHV-BMIGLBTASA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588503018 1282540663 /nfs/dbraw/zinc/54/06/63/1282540663.db2.gz WFUCGPVNVPPWHV-BMIGLBTASA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588504150 1282542942 /nfs/dbraw/zinc/54/29/42/1282542942.db2.gz JKCXQQWQQFYFGB-GTNSWQLSSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588504956 1282544776 /nfs/dbraw/zinc/54/47/76/1282544776.db2.gz MYMQMJJTSVEDOP-YVEFUNNKSA-N 0 1 357.418 0.531 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001588505271 1282546446 /nfs/dbraw/zinc/54/64/46/1282546446.db2.gz OOKARDSGFPDEBB-CRAIPNDOSA-N 0 1 373.461 0.872 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588509323 1282551402 /nfs/dbraw/zinc/55/14/02/1282551402.db2.gz WWACYAWYCAUQLG-PRXAMGSTSA-N 0 1 357.418 0.378 20 30 FCEDMN C=CC[C@H](C(=O)NCCNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588529561 1282561263 /nfs/dbraw/zinc/56/12/63/1282561263.db2.gz BZQZUFYGDDRMME-AWEZNQCLSA-N 0 1 364.413 0.967 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588532731 1282561888 /nfs/dbraw/zinc/56/18/88/1282561888.db2.gz DITMXEJSTMCYSX-GFCCVEGCSA-N 0 1 359.434 0.483 20 30 FCEDMN C=CCC(CC=C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588542050 1282564708 /nfs/dbraw/zinc/56/47/08/1282564708.db2.gz WCTXCFNNZHLEGF-ZDUSSCGKSA-N 0 1 354.418 0.860 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001588553869 1282565940 /nfs/dbraw/zinc/56/59/40/1282565940.db2.gz VWJLFBJBLAKYKR-CYBMUJFWSA-N 0 1 371.445 0.709 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CCC1 ZINC001588552873 1282566796 /nfs/dbraw/zinc/56/67/96/1282566796.db2.gz DYHCWGSEKOTPHB-CYBMUJFWSA-N 0 1 371.445 0.627 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](OCC)C1 ZINC001588571768 1282570504 /nfs/dbraw/zinc/57/05/04/1282570504.db2.gz NQHRXBXTJWSOQD-CZUORRHYSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588586988 1282576038 /nfs/dbraw/zinc/57/60/38/1282576038.db2.gz QBXDDKQBGPFRJO-INIZCTEOSA-N 0 1 358.406 0.070 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001588610334 1282587574 /nfs/dbraw/zinc/58/75/74/1282587574.db2.gz BJNXMYJJRATNBJ-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609614 1282587637 /nfs/dbraw/zinc/58/76/37/1282587637.db2.gz YGTGNNAIOPSQHR-FRRDWIJNSA-N 0 1 372.433 0.319 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001588615965 1282591865 /nfs/dbraw/zinc/59/18/65/1282591865.db2.gz PFAUIQCNEVGGFI-UPJWGTAASA-N 0 1 370.417 0.475 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588615762 1282594367 /nfs/dbraw/zinc/59/43/67/1282594367.db2.gz GWZZZBKUHALWGW-JOCQHMNTSA-N 0 1 357.418 0.644 20 30 FCEDMN C=CCCOCC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616021 1282595600 /nfs/dbraw/zinc/59/56/00/1282595600.db2.gz RJVFGIGWBOOHSR-CYBMUJFWSA-N 0 1 372.433 0.582 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616666 1282598005 /nfs/dbraw/zinc/59/80/05/1282598005.db2.gz LITMNGPMGFIYKG-ZDUSSCGKSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001588658624 1282611256 /nfs/dbraw/zinc/61/12/56/1282611256.db2.gz CVWWTWHDOWAPRX-GFCCVEGCSA-N 0 1 372.433 0.081 20 30 FCEDMN C=CCOCC(=O)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588666944 1282624029 /nfs/dbraw/zinc/62/40/29/1282624029.db2.gz ONHHQIAITQJUMI-UHFFFAOYSA-N 0 1 360.422 0.533 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588672176 1282629220 /nfs/dbraw/zinc/62/92/20/1282629220.db2.gz SVGKFHGHGVXCKY-ZDUSSCGKSA-N 0 1 357.418 0.598 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001588674448 1282629497 /nfs/dbraw/zinc/62/94/97/1282629497.db2.gz NZKUWBZZENTOBZ-LSDHHAIUSA-N 0 1 369.429 0.726 20 30 FCEDMN C=CCOCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001588674445 1282632378 /nfs/dbraw/zinc/63/23/78/1282632378.db2.gz NZKUWBZZENTOBZ-CABCVRRESA-N 0 1 369.429 0.726 20 30 FCEDMN C=CCn1c(-c2ccc(-c3nn[nH]n3)[nH]2)nnc1N1CCN(C2CC2)CC1 ZINC001588695084 1282648927 /nfs/dbraw/zinc/64/89/27/1282648927.db2.gz CDEXWJURGKUEJH-UHFFFAOYSA-N 0 1 366.433 0.924 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)C[C@H]1CCCOC1 ZINC001588698770 1282652127 /nfs/dbraw/zinc/65/21/27/1282652127.db2.gz AWQUHADEPLZXTC-LLVKDONJSA-N 0 1 370.421 0.897 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)CC1CCOCC1 ZINC001588700144 1282652709 /nfs/dbraw/zinc/65/27/09/1282652709.db2.gz QLRUKLUSFGNYNB-UHFFFAOYSA-N 0 1 370.421 0.897 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@@H](COC)C1 ZINC001588700792 1282653421 /nfs/dbraw/zinc/65/34/21/1282653421.db2.gz XTXHJFKEQLMHKH-SNVBAGLBSA-N 0 1 356.394 0.507 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001588744099 1282685183 /nfs/dbraw/zinc/68/51/83/1282685183.db2.gz QTKOKTVZTWRFHC-CHWSQXEVSA-N 0 1 370.417 0.170 20 30 FCEDMN C[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)n1cnc(-c2nn[nH]n2)n1 ZINC001589017689 1282770168 /nfs/dbraw/zinc/77/01/68/1282770168.db2.gz GXBBPEKPCVIJJY-QMMMGPOBSA-N 0 1 357.309 0.699 20 30 FCEDMN C[C@@H](C(=O)OCCOc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589029504 1282778820 /nfs/dbraw/zinc/77/88/20/1282778820.db2.gz CHAQGZJAAIZPQM-JTQLQIEISA-N 0 1 354.330 0.513 20 30 FCEDMN CC(C)(C)C#CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001589068586 1282792269 /nfs/dbraw/zinc/79/22/69/1282792269.db2.gz TYMVNVYQOUXCBK-GFCCVEGCSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001589158316 1282812927 /nfs/dbraw/zinc/81/29/27/1282812927.db2.gz XAVOHAYCDNCFQW-VHSXEESVSA-N 0 1 357.378 0.828 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001589388123 1282868066 /nfs/dbraw/zinc/86/80/66/1282868066.db2.gz UUGNFOYMXUWAAX-LBPRGKRZSA-N 0 1 354.418 0.647 20 30 FCEDMN CC(C)C#CC(=O)NCCCCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001589390021 1282871310 /nfs/dbraw/zinc/87/13/10/1282871310.db2.gz XIKTZODEGPPNOF-UHFFFAOYSA-N 0 1 356.434 0.827 20 30 FCEDMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CSCC#N ZINC001589556822 1282908440 /nfs/dbraw/zinc/90/84/40/1282908440.db2.gz ZSWZBNNCEHMPDG-LBPRGKRZSA-N 0 1 374.474 0.883 20 30 FCEDMN N#Cc1cc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)cnc1C(F)(F)F ZINC001642263593 1282995766 /nfs/dbraw/zinc/99/57/66/1282995766.db2.gz IQWUUJMAGPTWHP-VIFPVBQESA-N 0 1 353.264 0.699 20 30 FCEDMN C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1ccncc1-c1nn[nH]n1 ZINC001589800240 1283012723 /nfs/dbraw/zinc/01/27/23/1283012723.db2.gz WHWOMFMMNRYBBR-MNOVXSKESA-N 0 1 360.447 0.636 20 30 FCEDMN C[C@@H](CNC(=O)CSCC#N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001589856335 1283093767 /nfs/dbraw/zinc/09/37/67/1283093767.db2.gz CTDPJBVPIXQIJJ-JTQLQIEISA-N 0 1 363.422 0.857 20 30 FCEDMN C[C@]1(C#N)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001590055585 1283189763 /nfs/dbraw/zinc/18/97/63/1283189763.db2.gz UVPDVYBZQVVKAL-CYBMUJFWSA-N 0 1 363.359 0.699 20 30 FCEDMN CC1(C)C(=O)N[C@@H]1C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001590072405 1283202820 /nfs/dbraw/zinc/20/28/20/1283202820.db2.gz HMOCPFWRCZWXQK-CYBMUJFWSA-N 0 1 353.390 0.269 20 30 FCEDMN C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001682111433 1283530286 /nfs/dbraw/zinc/53/02/86/1283530286.db2.gz IYUOPPQAJSOHLZ-ZDUSSCGKSA-N 0 1 362.434 0.240 20 30 FCEDMN N#Cc1ccc(N2CCN(C(=O)NCc3n[nH]c(C4CC4)n3)CC2)cn1 ZINC001682878862 1283798191 /nfs/dbraw/zinc/79/81/91/1283798191.db2.gz 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FCEDMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001544396456 1267579541 /nfs/dbraw/zinc/57/95/41/1267579541.db2.gz WUQKCPCLEYGXNY-HNNXBMFYSA-N 0 1 361.446 0.981 20 30 FCEDMN C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCN(C)C(C)(C)C1 ZINC001339091493 1268165635 /nfs/dbraw/zinc/16/56/35/1268165635.db2.gz VBGICRBOKZEXCI-UHFFFAOYSA-N 0 1 356.496 0.434 20 30 FCEDMN CCN1CCN(c2nnc(-c3ccnc4c(C#N)cnn43)n2C)C[C@H]1C ZINC001339553574 1268269183 /nfs/dbraw/zinc/26/91/83/1268269183.db2.gz DMPNGQPSQUYTBN-GFCCVEGCSA-N 0 1 351.418 0.927 20 30 FCEDMN C#CCN1CCC(c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2C)CC1 ZINC001339646598 1268293580 /nfs/dbraw/zinc/29/35/80/1268293580.db2.gz ZXZBZSCNSCVEPT-MRXNPFEDSA-N 0 1 356.474 0.829 20 30 FCEDMN C#CCNCC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 ZINC001339956171 1268384919 /nfs/dbraw/zinc/38/49/19/1268384919.db2.gz VDEGOWLQBPFNIX-INIZCTEOSA-N 0 1 357.454 0.910 20 30 FCEDMN C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001340430313 1268545747 /nfs/dbraw/zinc/54/57/47/1268545747.db2.gz PKGABBMQHYZMNZ-CYBMUJFWSA-N 0 1 357.462 0.999 20 30 FCEDMN C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001340430317 1268546166 /nfs/dbraw/zinc/54/61/66/1268546166.db2.gz PKGABBMQHYZMNZ-ZDUSSCGKSA-N 0 1 357.462 0.999 20 30 FCEDMN C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001340561864 1268587446 /nfs/dbraw/zinc/58/74/46/1268587446.db2.gz SUHUENUAFVVYCU-UHFFFAOYSA-N 0 1 361.450 0.235 20 30 FCEDMN C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001340561864 1268587452 /nfs/dbraw/zinc/58/74/52/1268587452.db2.gz SUHUENUAFVVYCU-UHFFFAOYSA-N 0 1 361.450 0.235 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001341815150 1269225384 /nfs/dbraw/zinc/22/53/84/1269225384.db2.gz WXDYRMKBJRWPKK-USXIJHARSA-N 0 1 358.442 0.008 20 30 FCEDMN C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001342005793 1269299147 /nfs/dbraw/zinc/29/91/47/1269299147.db2.gz XHYKJKLOISVFAW-YOEHRIQHSA-N 0 1 355.438 0.914 20 30 FCEDMN C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001342005793 1269299157 /nfs/dbraw/zinc/29/91/57/1269299157.db2.gz XHYKJKLOISVFAW-YOEHRIQHSA-N 0 1 355.438 0.914 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001573942491 1270949173 /nfs/dbraw/zinc/94/91/73/1270949173.db2.gz PCWQCFASBIXEDT-UONOGXRCSA-N 0 1 366.429 0.743 20 30 FCEDMN CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574048956 1271032881 /nfs/dbraw/zinc/03/28/81/1271032881.db2.gz KBNVLHMZEXWKAE-OAHLLOKOSA-N 0 1 365.401 0.750 20 30 FCEDMN C[C@H](C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574545805 1271333840 /nfs/dbraw/zinc/33/38/40/1271333840.db2.gz NKAFRLKVCGJJLR-NXEZZACHSA-N 0 1 366.389 0.287 20 30 FCEDMN C[C@@H](CCCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574580095 1271378569 /nfs/dbraw/zinc/37/85/69/1271378569.db2.gz UFTMGTIAONWNBI-JTQLQIEISA-N 0 1 366.389 0.289 20 30 FCEDMN C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CN ZINC001574622880 1271421058 /nfs/dbraw/zinc/42/10/58/1271421058.db2.gz VBVJBWVLOUWGFM-UHFFFAOYSA-N 0 1 350.373 0.181 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001574849774 1271597931 /nfs/dbraw/zinc/59/79/31/1271597931.db2.gz LIGXYGHNNMPOQF-AWEZNQCLSA-N 0 1 370.413 0.219 20 30 FCEDMN C#CCC1(C(=O)N[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)CCOCC1 ZINC001574850026 1271598393 /nfs/dbraw/zinc/59/83/93/1271598393.db2.gz LTYJVSCKPNRPBH-MRXNPFEDSA-N 0 1 373.457 0.665 20 30 FCEDMN C#CCC1(C(=O)N[C@@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)CCOCC1 ZINC001574850026 1271598396 /nfs/dbraw/zinc/59/83/96/1271598396.db2.gz LTYJVSCKPNRPBH-MRXNPFEDSA-N 0 1 373.457 0.665 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2CC(=O)NCc1c[nH]nn1 ZINC001574849375 1271598446 /nfs/dbraw/zinc/59/84/46/1271598446.db2.gz HINVHJHRXBZZPN-HZPDHXFCSA-N 0 1 358.446 0.290 20 30 FCEDMN C#CCC1(C(=O)N2CC([C@@H](C)NC(=O)[C@@H](C)OCc3c[nH]nn3)C2)CCC1 ZINC001574850740 1271600424 /nfs/dbraw/zinc/60/04/24/1271600424.db2.gz UACQAAQOABEDFM-ZIAGYGMSSA-N 0 1 373.457 0.867 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001574866264 1271616419 /nfs/dbraw/zinc/61/64/19/1271616419.db2.gz CMZBOKZPCGBPPO-KBPBESRZSA-N 0 1 374.445 0.110 20 30 FCEDMN C#CCCCCC(=O)N[C@@H]1[C@H]2CN([C@H](C)C(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001574866439 1271616531 /nfs/dbraw/zinc/61/65/31/1271616531.db2.gz FKTGXHJBWXJRTD-UTXMOHQDSA-N 0 1 358.446 0.049 20 30 FCEDMN C#CCCCC(=O)NC[C@@H]1CCCCCN1CC(=O)NCc1c[nH]nn1 ZINC001574867015 1271616901 /nfs/dbraw/zinc/61/69/01/1271616901.db2.gz NUHRZEBZEBBIMJ-INIZCTEOSA-N 0 1 360.462 0.585 20 30 FCEDMN C#CCN(C(=O)CCCc1c[nH]nn1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001574894895 1271655809 /nfs/dbraw/zinc/65/58/09/1271655809.db2.gz KTCHQBOZGSRZOL-UHFFFAOYSA-N 0 1 367.453 0.994 20 30 FCEDMN C#CCN(C(=O)CCCc1cnn[nH]1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001574894895 1271655814 /nfs/dbraw/zinc/65/58/14/1271655814.db2.gz KTCHQBOZGSRZOL-UHFFFAOYSA-N 0 1 367.453 0.994 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(-c2cnn(C)c2)n1CCCOCC ZINC001574937950 1271682820 /nfs/dbraw/zinc/68/28/20/1271682820.db2.gz SDRGLDXNJJSMDA-UHFFFAOYSA-N 0 1 369.433 0.863 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C2CCC2)n1CCC(=O)N(C)C ZINC001574955204 1271684001 /nfs/dbraw/zinc/68/40/01/1271684001.db2.gz RULGXYPEYTUKCU-UHFFFAOYSA-N 0 1 356.434 0.782 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C2CC2)n1CCN1CCOC[C@@H]1C ZINC001574954105 1271684337 /nfs/dbraw/zinc/68/43/37/1271684337.db2.gz HREBPOYMZCVHCM-AWEZNQCLSA-N 0 1 370.461 0.634 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001574954095 1271684625 /nfs/dbraw/zinc/68/46/25/1271684625.db2.gz HHWWVGDSTWAWHB-LSDHHAIUSA-N 0 1 373.461 0.873 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C2CCC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001574955195 1271685070 /nfs/dbraw/zinc/68/50/70/1271685070.db2.gz RRMVVHNAIHYMCI-UGSOOPFHSA-N 0 1 371.445 0.843 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC2CC2)n1CCCn1ccnn1 ZINC001574967520 1271686551 /nfs/dbraw/zinc/68/65/51/1271686551.db2.gz UJRBHVNNBQRVKB-UHFFFAOYSA-N 0 1 366.433 0.670 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C)n1Cc1c(CC)nn(C)c1OC ZINC001574955296 1271686570 /nfs/dbraw/zinc/68/65/70/1271686570.db2.gz SPBYIZBWDWFECX-UHFFFAOYSA-N 0 1 369.433 0.697 20 30 FCEDMN C#CCNC(=O)CN1CC[C@H](NC(=O)CCCCc2cn[nH]n2)C[C@H]1C ZINC001575005233 1271690597 /nfs/dbraw/zinc/69/05/97/1271690597.db2.gz XVHNUBPSCQYGAU-CABCVRRESA-N 0 1 360.462 0.236 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CCN(C(=O)CCCc2c[nH]nn2)CC1 ZINC001575004835 1271690735 /nfs/dbraw/zinc/69/07/35/1271690735.db2.gz NFCVKRDSZNTUCV-AWEZNQCLSA-N 0 1 361.446 0.615 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CCN(C(=O)CCCc2cnn[nH]2)CC1 ZINC001575004835 1271690739 /nfs/dbraw/zinc/69/07/39/1271690739.db2.gz NFCVKRDSZNTUCV-AWEZNQCLSA-N 0 1 361.446 0.615 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001575013181 1271693921 /nfs/dbraw/zinc/69/39/21/1271693921.db2.gz NBJRHSJDIVMZSX-GJZGRUSLSA-N 0 1 373.457 0.663 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001575013181 1271693933 /nfs/dbraw/zinc/69/39/33/1271693933.db2.gz NBJRHSJDIVMZSX-GJZGRUSLSA-N 0 1 373.457 0.663 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575013449 1271693988 /nfs/dbraw/zinc/69/39/88/1271693988.db2.gz PCMIBZLJUOPBGG-CHWSQXEVSA-N 0 1 370.413 0.387 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)CCOCc2c[nH]nn2)cn1 ZINC001575021566 1271696016 /nfs/dbraw/zinc/69/60/16/1271696016.db2.gz HWMWTVOJAWRQKP-ZDUSSCGKSA-N 0 1 370.413 0.365 20 30 FCEDMN C#Cc1ccc(C(=O)NCCN(C)C(=O)CCOCc2c[nH]nn2)cc1 ZINC001575022637 1271697602 /nfs/dbraw/zinc/69/76/02/1271697602.db2.gz RAOFTRKDJALNNX-UHFFFAOYSA-N 0 1 355.398 0.581 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CCCc2c[nH]nn2)nc1 ZINC001575022671 1271697989 /nfs/dbraw/zinc/69/79/89/1271697989.db2.gz SGABHJXITGPCOP-OLZOCXBDSA-N 0 1 354.414 0.827 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CCCc2cnn[nH]2)nc1 ZINC001575022671 1271697993 /nfs/dbraw/zinc/69/79/93/1271697993.db2.gz SGABHJXITGPCOP-OLZOCXBDSA-N 0 1 354.414 0.827 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)[C@@H]2C)cn1 ZINC001575032417 1271698178 /nfs/dbraw/zinc/69/81/78/1271698178.db2.gz CKCORPQKBDIPGT-DYVFJYSZSA-N 0 1 366.425 0.923 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCCc3cnn[nH]3)[C@@H]2C)cn1 ZINC001575032417 1271698198 /nfs/dbraw/zinc/69/81/98/1271698198.db2.gz CKCORPQKBDIPGT-DYVFJYSZSA-N 0 1 366.425 0.923 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCc2c[nH]nn2)C[C@H]1OC ZINC001575048235 1271699542 /nfs/dbraw/zinc/69/95/42/1271699542.db2.gz AWFCBZBIKIPTRY-BPLDGKMQSA-N 0 1 365.434 0.408 20 30 FCEDMN CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CNC[C@H]3C#N)CC2)c(F)c1 ZINC001575040477 1271699646 /nfs/dbraw/zinc/69/96/46/1271699646.db2.gz QOXHJUQURDEOQW-ZBFHGGJFSA-N 0 1 359.405 0.971 20 30 FCEDMN C=C(C)CN1CC2(C1)CN(C(=O)c1ccc(-c3c[nH]nn3)nc1)CCO2 ZINC001575049113 1271700167 /nfs/dbraw/zinc/70/01/67/1271700167.db2.gz 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/nfs/dbraw/zinc/97/18/74/1273971874.db2.gz DWUWWTWMPCZTRJ-QGZVFWFLSA-N 0 1 363.462 0.374 20 30 FCEDMN COCC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)OCc1cn[nH]n1 ZINC001576953949 1273975269 /nfs/dbraw/zinc/97/52/69/1273975269.db2.gz RPZXLXFBHDQMFZ-NVXWUHKLSA-N 0 1 363.462 0.673 20 30 FCEDMN COCC#CCN1CC([C@@H](C)NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001576954028 1273975519 /nfs/dbraw/zinc/97/55/19/1273975519.db2.gz VIAXRBCOTAIWFX-CYBMUJFWSA-N 0 1 354.414 0.567 20 30 FCEDMN COCC1(CNC(=O)c2cc(C#N)c[nH]2)CCN(Cc2c[nH]nn2)CC1 ZINC001576977749 1274003019 /nfs/dbraw/zinc/00/30/19/1274003019.db2.gz VLOHAOWYAFHSLQ-UHFFFAOYSA-N 0 1 357.418 0.663 20 30 FCEDMN CC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H](CC)CN1C(C)=O ZINC001577176660 1274225931 /nfs/dbraw/zinc/22/59/31/1274225931.db2.gz GRCYVWYRYSQQCE-NEPJUHHUSA-N 0 1 355.406 0.754 20 30 FCEDMN Cc1cc(N2CC[C@H](CNC(=O)[C@H](C)OCc3c[nH]nn3)C2)c(C#N)cn1 ZINC001577339494 1274350330 /nfs/dbraw/zinc/35/03/30/1274350330.db2.gz VMEZCJKRCVNAED-UONOGXRCSA-N 0 1 369.429 0.928 20 30 FCEDMN Cc1cc(N2CC[C@H](CNC(=O)[C@@H](C)OCc3c[nH]nn3)C2)c(C#N)cn1 ZINC001577339496 1274350496 /nfs/dbraw/zinc/35/04/96/1274350496.db2.gz VMEZCJKRCVNAED-ZIAGYGMSSA-N 0 1 369.429 0.928 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)[C@@H]2C)c(C#N)cn1 ZINC001577343953 1274353639 /nfs/dbraw/zinc/35/36/39/1274353639.db2.gz QAVXMZGXKCPMQR-CZUORRHYSA-N 0 1 369.429 0.810 20 30 FCEDMN CCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC[N@H+]1CCOC ZINC001577393281 1274392744 /nfs/dbraw/zinc/39/27/44/1274392744.db2.gz SFORAGZCCLQCKN-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[nH]n2)n1 ZINC001577623698 1274605270 /nfs/dbraw/zinc/60/52/70/1274605270.db2.gz PIDCZQOJVSEWAI-UHFFFAOYSA-N 0 1 366.389 0.503 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cncc(-c4cn[nH]n4)c3)C2)c1 ZINC001577709866 1274769474 /nfs/dbraw/zinc/76/94/74/1274769474.db2.gz GJDULAPCIANYJL-UHFFFAOYSA-N 0 1 362.353 0.321 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)c[nH]1 ZINC001577712120 1274771138 /nfs/dbraw/zinc/77/11/38/1274771138.db2.gz AXLMWZCINQXGDT-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)c[nH]1 ZINC001577712120 1274771145 /nfs/dbraw/zinc/77/11/45/1274771145.db2.gz AXLMWZCINQXGDT-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#CCSCC(=O)N1CCC2(CN(C(=O)CCCc3c[nH]nn3)C2)C1 ZINC001577710183 1274772542 /nfs/dbraw/zinc/77/25/42/1274772542.db2.gz RMPWGCSKLOBYAF-UHFFFAOYSA-N 0 1 362.459 0.445 20 30 FCEDMN N#CCSCC(=O)N1CCC2(CN(C(=O)CCCc3cnn[nH]3)C2)C1 ZINC001577710183 1274772548 /nfs/dbraw/zinc/77/25/48/1274772548.db2.gz RMPWGCSKLOBYAF-UHFFFAOYSA-N 0 1 362.459 0.445 20 30 FCEDMN N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)cn1 ZINC001577714903 1274773969 /nfs/dbraw/zinc/77/39/69/1274773969.db2.gz AVRARBOQVSPWBH-YOEHRIQHSA-N 0 1 366.429 0.431 20 30 FCEDMN N#Cc1ccc(N2CCCO[C@H](CNC(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001577715930 1274776021 /nfs/dbraw/zinc/77/60/21/1274776021.db2.gz ZHCXUGDPRLNAQD-OAHLLOKOSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1ccc(N2CCCO[C@H](CNC(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001577715930 1274776031 /nfs/dbraw/zinc/77/60/31/1274776031.db2.gz ZHCXUGDPRLNAQD-OAHLLOKOSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cncc(-c3cn[nH]n3)c2)nc1 ZINC001577715618 1274778252 /nfs/dbraw/zinc/77/82/52/1274778252.db2.gz SISVEHKAMYTXQW-HWWDLCQESA-N 0 1 372.392 0.998 20 30 FCEDMN N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCc1c[nH]nn1 ZINC001577718178 1274779207 /nfs/dbraw/zinc/77/92/07/1274779207.db2.gz YTDBWOROTNOQDL-UHFFFAOYSA-N 0 1 352.332 0.080 20 30 FCEDMN N#Cc1cnc(N[C@H](CNC(=O)CCOCc2c[nH]nn2)C2CC2)cn1 ZINC001577719091 1274781611 /nfs/dbraw/zinc/78/16/11/1274781611.db2.gz INPYSFWSKQDBIR-CQSZACIVSA-N 0 1 356.390 0.380 20 30 FCEDMN N#Cc1cncc(N2CCC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577719133 1274783224 /nfs/dbraw/zinc/78/32/24/1274783224.db2.gz JZZNYUZQEHDICD-LBPRGKRZSA-N 0 1 356.390 0.158 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577745223 1274822232 /nfs/dbraw/zinc/82/22/32/1274822232.db2.gz BDQQDLLVPHRQIK-CTYIDZIISA-N 0 1 364.409 0.905 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577745374 1274822290 /nfs/dbraw/zinc/82/22/90/1274822290.db2.gz DYAQNZFDUIMSRF-CTYIDZIISA-N 0 1 364.409 0.905 20 30 FCEDMN CCOC(=O)[C@@]1(F)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H]1CC ZINC001578249578 1275551276 /nfs/dbraw/zinc/55/12/76/1275551276.db2.gz NPXCYICDFQPFJI-BJOHPYRUSA-N 0 1 360.353 0.646 20 30 FCEDMN CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001578380356 1275757441 /nfs/dbraw/zinc/75/74/41/1275757441.db2.gz KSZAUXCLQFUDKU-LALPHHSUSA-N 0 1 370.417 0.119 20 30 FCEDMN CN(CCOCCNC(=O)N[C@H]1CNC[C@H]1C#N)C(=O)OC(C)(C)C ZINC001578476867 1275891598 /nfs/dbraw/zinc/89/15/98/1275891598.db2.gz AOGVOYYXMJMIKQ-OLZOCXBDSA-N 0 1 355.439 0.281 20 30 FCEDMN CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578911948 1276451315 /nfs/dbraw/zinc/45/13/15/1276451315.db2.gz QPRPYOXCKWHZPQ-NSHDSACASA-N 0 1 364.373 0.207 20 30 FCEDMN CN(C)C(=O)c1cccc(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001578962213 1276504795 /nfs/dbraw/zinc/50/47/95/1276504795.db2.gz JPTSMJJOWNFWAJ-UHFFFAOYSA-N 0 1 363.385 0.885 20 30 FCEDMN CN(Cc1ncc(Br)cn1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579265268 1277062037 /nfs/dbraw/zinc/06/20/37/1277062037.db2.gz BVGYFGGXWLPFTH-UHFFFAOYSA-N 0 1 373.178 0.717 20 30 FCEDMN CNC(=O)COc1ccc(Oc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001579398513 1277282841 /nfs/dbraw/zinc/28/28/41/1277282841.db2.gz LZEOYXFZENQCKX-UHFFFAOYSA-N 0 1 352.314 0.445 20 30 FCEDMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)C#CC(C)C ZINC001579856242 1277938314 /nfs/dbraw/zinc/93/83/14/1277938314.db2.gz WRIMLZBDJJPFLQ-GDBMZVCRSA-N 0 1 369.429 0.549 20 30 FCEDMN Cc1cc(CN2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)on1 ZINC001580923577 1279132948 /nfs/dbraw/zinc/13/29/48/1279132948.db2.gz UMJRRFJQFLADQV-UHFFFAOYSA-N 0 1 352.362 0.147 20 30 FCEDMN Cc1cc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)nc(N2CCCC2)n1 ZINC001580928685 1279143607 /nfs/dbraw/zinc/14/36/07/1279143607.db2.gz YBTUKTYPIHRSQI-UHFFFAOYSA-N 0 1 363.389 0.839 20 30 FCEDMN Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580987343 1279185420 /nfs/dbraw/zinc/18/54/20/1279185420.db2.gz BKTIAXVHGXXXOF-WDEREUQCSA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1csc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)n1 ZINC001581386205 1279815808 /nfs/dbraw/zinc/81/58/08/1279815808.db2.gz XZIVNWXSNJJXLC-UHFFFAOYSA-N 0 1 354.403 0.620 20 30 FCEDMN N#Cc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878258 1280633734 /nfs/dbraw/zinc/63/37/34/1280633734.db2.gz DLHNZZOQUWVRCT-UHFFFAOYSA-N 0 1 369.433 0.467 20 30 FCEDMN N#Cc1csc(CNc2n[nH]c(N3CCOCC3)c2-c2nn[nH]n2)c1 ZINC001581878499 1280635392 /nfs/dbraw/zinc/63/53/92/1280635392.db2.gz ODOMSJZWHVPHKV-UHFFFAOYSA-N 0 1 357.403 0.972 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879644 1280637031 /nfs/dbraw/zinc/63/70/31/1280637031.db2.gz SEQQTEHDAJVSLA-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879644 1280637044 /nfs/dbraw/zinc/63/70/44/1280637044.db2.gz SEQQTEHDAJVSLA-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879644 1280637056 /nfs/dbraw/zinc/63/70/56/1280637056.db2.gz SEQQTEHDAJVSLA-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879644 1280637064 /nfs/dbraw/zinc/63/70/64/1280637064.db2.gz SEQQTEHDAJVSLA-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cnc1-c1nnn[n-]1 ZINC001581879368 1280637935 /nfs/dbraw/zinc/63/79/35/1280637935.db2.gz HUSZSJNVNDECMQ-LBPRGKRZSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cnc1-c1nn[n-]n1 ZINC001581879368 1280637941 /nfs/dbraw/zinc/63/79/41/1280637941.db2.gz HUSZSJNVNDECMQ-LBPRGKRZSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1ncc(NCC(=O)N2CCCc3ccccc32)nc1-c1nn[nH]n1 ZINC001581882496 1280644331 /nfs/dbraw/zinc/64/43/31/1280644331.db2.gz AVBBYKCHACDJDA-UHFFFAOYSA-N 0 1 361.369 0.920 20 30 FCEDMN N#Cc1ncc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1nnn[n-]1 ZINC001581882237 1280644405 /nfs/dbraw/zinc/64/44/05/1280644405.db2.gz QKDLNVDIGIBJKS-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882237 1280644429 /nfs/dbraw/zinc/64/44/29/1280644429.db2.gz QKDLNVDIGIBJKS-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882237 1280644438 /nfs/dbraw/zinc/64/44/38/1280644438.db2.gz QKDLNVDIGIBJKS-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2Cc3ncccc3N3CCC[C@H]3C2)nc1-c1nn[nH]n1 ZINC001581882787 1280644718 /nfs/dbraw/zinc/64/47/18/1280644718.db2.gz HIQDRESOOWUPFW-NSHDSACASA-N 0 1 360.385 0.912 20 30 FCEDMN N#Cc1ncc(NC[C@H](O)COc2ccc(F)c(F)c2)nc1-c1nn[nH]n1 ZINC001581882893 1280645002 /nfs/dbraw/zinc/64/50/02/1280645002.db2.gz KVTOTGIRXHDGGK-QMMMGPOBSA-N 0 1 374.311 0.658 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)nc1-c1nn[nH]n1 ZINC001581882512 1280645287 /nfs/dbraw/zinc/64/52/87/1280645287.db2.gz BRLCEKKCJRMKMD-SSDOTTSWSA-N 0 1 367.295 0.494 20 30 FCEDMN N#Cc1ncc(NC[C@H](O)COc2ccc(F)cc2)nc1-c1nn[nH]n1 ZINC001581882971 1280645317 /nfs/dbraw/zinc/64/53/17/1280645317.db2.gz NIFROONLUIDSRM-JTQLQIEISA-N 0 1 356.321 0.519 20 30 FCEDMN N#Cc1ncc(N2CCNC(=O)[C@@H]2CC2CCCCC2)nc1-c1nn[nH]n1 ZINC001581883181 1280647208 /nfs/dbraw/zinc/64/72/08/1280647208.db2.gz QTCUSDJAVUVXCP-ZDUSSCGKSA-N 0 1 367.417 0.804 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCCN(CC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581883185 1280648674 /nfs/dbraw/zinc/64/86/74/1280648674.db2.gz QUXBAEMYSRJKGX-QMMMGPOBSA-N 0 1 353.312 0.967 20 30 FCEDMN N#Cc1ncc(NCc2nnc(C3CCOCC3)[nH]2)nc1-c1nn[nH]n1 ZINC001581884305 1280649143 /nfs/dbraw/zinc/64/91/43/1280649143.db2.gz UDNMDWZKAVVDAT-UHFFFAOYSA-N 0 1 353.350 0.153 20 30 FCEDMN C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[N@@H+]1CCc2sccc2C1 ZINC001603608343 1287439586 /nfs/dbraw/zinc/43/95/86/1287439586.db2.gz UVEOKFBLYHJWIL-NSHDSACASA-N 0 1 373.438 0.445 20 30 FCEDMN C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[N@H+]1CCc2sccc2C1 ZINC001603608343 1287439598 /nfs/dbraw/zinc/43/95/98/1287439598.db2.gz UVEOKFBLYHJWIL-NSHDSACASA-N 0 1 373.438 0.445 20 30 FCEDMN C[C@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1cccc(C#N)c1 ZINC001603629216 1287450189 /nfs/dbraw/zinc/45/01/89/1287450189.db2.gz BQQXKTFMFATWRH-JTQLQIEISA-N 0 1 352.362 0.390 20 30 FCEDMN C#CC[C@@H](COC)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001588334036 1282427750 /nfs/dbraw/zinc/42/77/50/1282427750.db2.gz MITXLJKQQRWCAR-VIFPVBQESA-N 0 1 357.342 0.462 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588336580 1282429556 /nfs/dbraw/zinc/42/95/56/1282429556.db2.gz QLYWNNHXQHWSQI-OAHLLOKOSA-N 0 1 374.420 0.718 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588338465 1282431397 /nfs/dbraw/zinc/43/13/97/1282431397.db2.gz LOEUVGALCXGDHT-CHWSQXEVSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588338936 1282433482 /nfs/dbraw/zinc/43/34/82/1282433482.db2.gz RDCZHJAUEJXMRX-LBPRGKRZSA-N 0 1 354.418 0.791 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001588340863 1282436015 /nfs/dbraw/zinc/43/60/15/1282436015.db2.gz JILJRWUZDXLTBG-CVEARBPZSA-N 0 1 354.414 0.332 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588341460 1282436223 /nfs/dbraw/zinc/43/62/23/1282436223.db2.gz IJQJXOAZXYBTGC-SFHVURJKSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588340895 1282437245 /nfs/dbraw/zinc/43/72/45/1282437245.db2.gz KKDRMLIPSCVWAC-HDJSIYSDSA-N 0 1 368.445 0.969 20 30 FCEDMN C#CCCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588342174 1282437823 /nfs/dbraw/zinc/43/78/23/1282437823.db2.gz HCBKKLLYPSSHFM-GDBMZVCRSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCN(C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC[NH+](C)CC1 ZINC001588347991 1282441872 /nfs/dbraw/zinc/44/18/72/1282441872.db2.gz DQLWSHLKLLCYIS-UHFFFAOYSA-N 0 1 360.447 0.562 20 30 FCEDMN C#CCN(C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC[NH+](C)CC1 ZINC001588347991 1282441877 /nfs/dbraw/zinc/44/18/77/1282441877.db2.gz DQLWSHLKLLCYIS-UHFFFAOYSA-N 0 1 360.447 0.562 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588354991 1282451542 /nfs/dbraw/zinc/45/15/42/1282451542.db2.gz CVXGCCJVTYOTFF-OLZOCXBDSA-N 0 1 372.433 0.060 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001588355127 1282452671 /nfs/dbraw/zinc/45/26/71/1282452671.db2.gz FOHBMNPJGOCLTK-CHWSQXEVSA-N 0 1 357.418 0.419 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588355123 1282453249 /nfs/dbraw/zinc/45/32/49/1282453249.db2.gz DDNBNYRXIJAGQF-GFCCVEGCSA-N 0 1 360.393 0.592 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356092 1282456950 /nfs/dbraw/zinc/45/69/50/1282456950.db2.gz SKRURKOVPWSJLH-IHRRRGAJSA-N 0 1 367.413 0.398 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588356142 1282457404 /nfs/dbraw/zinc/45/74/04/1282457404.db2.gz TZZWJUWTCYFUIQ-UONOGXRCSA-N 0 1 369.429 0.775 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356596 1282461573 /nfs/dbraw/zinc/46/15/73/1282461573.db2.gz YEVXPTQMVXFJLZ-CHWSQXEVSA-N 0 1 357.418 0.549 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588357312 1282465052 /nfs/dbraw/zinc/46/50/52/1282465052.db2.gz LCMQJOLOZLVWMM-CHWSQXEVSA-N 0 1 370.417 0.028 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588358547 1282470121 /nfs/dbraw/zinc/47/01/21/1282470121.db2.gz YYQCUMLOYCUESH-MELADBBJSA-N 0 1 369.429 0.419 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588358990 1282473035 /nfs/dbraw/zinc/47/30/35/1282473035.db2.gz FPSIWKLXWHENES-AWEZNQCLSA-N 0 1 369.429 0.729 20 30 FCEDMN C#CCOCCC(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588360055 1282476044 /nfs/dbraw/zinc/47/60/44/1282476044.db2.gz GZCDCVDKZNMOOM-INIZCTEOSA-N 0 1 369.429 0.372 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588360150 1282478296 /nfs/dbraw/zinc/47/82/96/1282478296.db2.gz JRLXGOBERACZIS-MGPQQGTHSA-N 0 1 369.429 0.561 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001588360632 1282479196 /nfs/dbraw/zinc/47/91/96/1282479196.db2.gz SZVIJTVDBUZBSD-NFAWXSAZSA-N 0 1 369.429 0.692 20 30 FCEDMN C#CCOCCC(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361813 1282484229 /nfs/dbraw/zinc/48/42/29/1282484229.db2.gz STIJVYQNBCQPRV-UHFFFAOYSA-N 0 1 357.418 0.553 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nc1 ZINC001588368722 1282493252 /nfs/dbraw/zinc/49/32/52/1282493252.db2.gz XJQFSEGBSBJLFM-AWEZNQCLSA-N 0 1 374.408 0.955 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001588371331 1282494006 /nfs/dbraw/zinc/49/40/06/1282494006.db2.gz CWONVXPSIOHWCJ-GFCCVEGCSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1ccccc1CC(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001588377450 1282495286 /nfs/dbraw/zinc/49/52/86/1282495286.db2.gz XGZOUYNVWUPOCG-ZDUSSCGKSA-N 0 1 361.409 0.824 20 30 FCEDMN C#Cc1cncc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588381067 1282497491 /nfs/dbraw/zinc/49/74/91/1282497491.db2.gz SLOGHKLOWMNNBK-CQSZACIVSA-N 0 1 374.408 0.634 20 30 FCEDMN C=C(C)[C@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402998 1282499088 /nfs/dbraw/zinc/49/90/88/1282499088.db2.gz RSZHMMQNMIZBBJ-OLZOCXBDSA-N 0 1 374.449 0.709 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588403053 1282499112 /nfs/dbraw/zinc/49/91/12/1282499112.db2.gz SVJMWMISCJRDAP-UKRRQHHQSA-N 0 1 371.445 0.838 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1)OCC ZINC001588403184 1282499903 /nfs/dbraw/zinc/49/99/03/1282499903.db2.gz WGSXNLNOMAAKMT-IUODEOHRSA-N 0 1 359.434 0.972 20 30 FCEDMN C=C(C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588416340 1282505835 /nfs/dbraw/zinc/50/58/35/1282505835.db2.gz VCVDPBPMOPZHTB-NSHDSACASA-N 0 1 350.448 0.851 20 30 FCEDMN C=C(C)CCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588418121 1282505855 /nfs/dbraw/zinc/50/58/55/1282505855.db2.gz RNZONDXGHJPWLR-GOSISDBHSA-N 0 1 371.445 0.984 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588499508 1282529740 /nfs/dbraw/zinc/52/97/40/1282529740.db2.gz JDJUUNJHHDPPRO-BDJLRTHQSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588499508 1282529749 /nfs/dbraw/zinc/52/97/49/1282529749.db2.gz JDJUUNJHHDPPRO-BDJLRTHQSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588501921 1282538104 /nfs/dbraw/zinc/53/81/04/1282538104.db2.gz PINIWBZIICAUDY-ACJLOTCBSA-N 0 1 371.445 0.804 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588501928 1282538757 /nfs/dbraw/zinc/53/87/57/1282538757.db2.gz PINIWBZIICAUDY-UGSOOPFHSA-N 0 1 371.445 0.804 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503597 1282540679 /nfs/dbraw/zinc/54/06/79/1282540679.db2.gz ARQYFQOGFNODCD-KEGWNNHHSA-N 0 1 357.418 0.403 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001588503861 1282544170 /nfs/dbraw/zinc/54/41/70/1282544170.db2.gz GZKHJXWDNMQWHN-MRXNPFEDSA-N 0 1 357.418 0.462 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001588505274 1282545175 /nfs/dbraw/zinc/54/51/75/1282545175.db2.gz OOKARDSGFPDEBB-YJBOKZPZSA-N 0 1 373.461 0.872 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001588505796 1282548687 /nfs/dbraw/zinc/54/86/87/1282548687.db2.gz XPMZXBHPFUBSHS-YRILPIOLSA-N 0 1 371.445 0.838 20 30 FCEDMN C=CCCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001588572116 1282569120 /nfs/dbraw/zinc/56/91/20/1282569120.db2.gz ZEIORGGKSNGNBT-UHFFFAOYSA-N 0 1 358.406 0.122 20 30 FCEDMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588577642 1282572606 /nfs/dbraw/zinc/57/26/06/1282572606.db2.gz KGHZFUSRTHFAIF-OLZOCXBDSA-N 0 1 359.434 0.980 20 30 FCEDMN C=CCC[C@@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C(=O)OCC ZINC001588578629 1282572975 /nfs/dbraw/zinc/57/29/75/1282572975.db2.gz COUSENFJKCIWND-SNVBAGLBSA-N 0 1 366.403 0.438 20 30 FCEDMN C=CCC[C@H]1CCCN1c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C ZINC001588582646 1282575997 /nfs/dbraw/zinc/57/59/97/1282575997.db2.gz MYVQHLSUFCCBDX-NSHDSACASA-N 0 1 355.410 0.570 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001588590282 1282577753 /nfs/dbraw/zinc/57/77/53/1282577753.db2.gz FZBKQHAKHYKHJY-VXGBXAGGSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CCCCCCN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C ZINC001588593403 1282579341 /nfs/dbraw/zinc/57/93/41/1282579341.db2.gz DFXZBQKCFHIUQN-UHFFFAOYSA-N 0 1 357.426 0.818 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588608805 1282585737 /nfs/dbraw/zinc/58/57/37/1282585737.db2.gz QTSKHDMPLJXVTG-OLZOCXBDSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCOCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588611593 1282589866 /nfs/dbraw/zinc/58/98/66/1282589866.db2.gz UPYHOCDUSYLXKU-GFCCVEGCSA-N 0 1 358.406 0.287 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588617705 1282597821 /nfs/dbraw/zinc/59/78/21/1282597821.db2.gz YEILZTWVMCYSEX-OLZOCXBDSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCOCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588617691 1282599298 /nfs/dbraw/zinc/59/92/98/1282599298.db2.gz XRJUPQSXZGMBSE-ZDUSSCGKSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001588659517 1282613291 /nfs/dbraw/zinc/61/32/91/1282613291.db2.gz NTUUNVLRJNVFAK-NEPJUHHUSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001588666950 1282624102 /nfs/dbraw/zinc/62/41/02/1282624102.db2.gz OORZZDDSZKKJJZ-OLZOCXBDSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCOCCCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588680766 1282637905 /nfs/dbraw/zinc/63/79/05/1282637905.db2.gz CKCRSOFXQCBMFL-CYBMUJFWSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682017 1282640899 /nfs/dbraw/zinc/64/08/99/1282640899.db2.gz UFJNAZVTSQEJAC-GFCCVEGCSA-N 0 1 358.406 0.074 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001588682419 1282641110 /nfs/dbraw/zinc/64/11/10/1282641110.db2.gz YMDHMTWXJBBURE-HALDLXJZSA-N 0 1 372.404 0.755 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCC2(COC2)C1 ZINC001588699707 1282651657 /nfs/dbraw/zinc/65/16/57/1282651657.db2.gz LXILIYZDYNNRBF-UHFFFAOYSA-N 0 1 354.378 0.261 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC=C(C)CC1 ZINC001588708089 1282655027 /nfs/dbraw/zinc/65/50/27/1282655027.db2.gz CVKQXLBHLGPNSW-UHFFFAOYSA-N 0 1 353.394 0.440 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588722451 1282667881 /nfs/dbraw/zinc/66/78/81/1282667881.db2.gz XJLSIDISKZZKJJ-KCXAZCMYSA-N 0 1 369.429 0.581 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001588723120 1282670745 /nfs/dbraw/zinc/67/07/45/1282670745.db2.gz HJQHIVSXOZDMMG-ZOWXZIJZSA-N 0 1 357.418 0.439 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588723045 1282671289 /nfs/dbraw/zinc/67/12/89/1282671289.db2.gz GFDDOLKPFAVASQ-ZOWXZIJZSA-N 0 1 357.418 0.500 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001588723308 1282671819 /nfs/dbraw/zinc/67/18/19/1282671819.db2.gz KSQPKWFXSWJWBC-WQVCFCJDSA-N 0 1 371.445 0.827 20 30 FCEDMN CC#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588740840 1282682203 /nfs/dbraw/zinc/68/22/03/1282682203.db2.gz YDGBWSKUHILULS-QWHCGFSZSA-N 0 1 356.434 0.967 20 30 FCEDMN CC#CCCCC(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588740122 1282682694 /nfs/dbraw/zinc/68/26/94/1282682694.db2.gz GUTPLUIOTMUUNT-SFHVURJKSA-N 0 1 368.445 0.969 20 30 FCEDMN C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588943377 1282736961 /nfs/dbraw/zinc/73/69/61/1282736961.db2.gz LQVRQAABWZTQOO-NSHDSACASA-N 0 1 352.362 0.357 20 30 FCEDMN C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588965802 1282745471 /nfs/dbraw/zinc/74/54/71/1282745471.db2.gz LRBBJXPRXHMZDC-JTQLQIEISA-N 0 1 351.374 0.942 20 30 FCEDMN CC(C)C#CC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589379872 1282854060 /nfs/dbraw/zinc/85/40/60/1282854060.db2.gz DKUQXDSAMUBFIQ-UHFFFAOYSA-N 0 1 368.445 0.920 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001589380063 1282856496 /nfs/dbraw/zinc/85/64/96/1282856496.db2.gz KZALZYLTSLLGGL-KBPBESRZSA-N 0 1 353.430 0.849 20 30 FCEDMN C[C@@H](CNC(=O)CC#Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589853916 1283088865 /nfs/dbraw/zinc/08/88/65/1283088865.db2.gz HRVHPROKPJYIGQ-ZDUSSCGKSA-N 0 1 362.397 0.437 20 30 FCEDMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985505 1283157103 /nfs/dbraw/zinc/15/71/03/1283157103.db2.gz KLMYWASNOASVLA-QWHCGFSZSA-N 0 1 368.445 0.777 20 30 FCEDMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CSCC#N ZINC001590175983 1283281896 /nfs/dbraw/zinc/28/18/96/1283281896.db2.gz YVFQNEAEKSOENK-PWSUYJOCSA-N 0 1 358.431 0.342 20 30 FCEDMN CCCC[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C#CC1CC1 ZINC001590581003 1283616748 /nfs/dbraw/zinc/61/67/48/1283616748.db2.gz FSKGQUZYUGXETG-ZDUSSCGKSA-N 0 1 354.418 0.579 20 30 FCEDMN CCOCCCN(C[C@H](C)C(=O)OC)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001590810245 1283884875 /nfs/dbraw/zinc/88/48/75/1283884875.db2.gz FYXKVZLCAMSKOV-NSHDSACASA-N 0 1 374.405 0.570 20 30 FCEDMN CN(CC(=O)NCCC1=CCCCC1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001591038815 1284100916 /nfs/dbraw/zinc/10/09/16/1284100916.db2.gz WLPAOZHLTIMYEH-UHFFFAOYSA-N 0 1 367.417 0.971 20 30 FCEDMN CN(C[C@H]1CCCN1C(=O)CSCC#N)c1ccncc1-c1nn[nH]n1 ZINC001591055373 1284113454 /nfs/dbraw/zinc/11/34/54/1284113454.db2.gz DMOSCLYPXMHNDD-GFCCVEGCSA-N 0 1 372.458 0.946 20 30 FCEDMN CN(Cc1cc(C#N)cs1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591130992 1284205507 /nfs/dbraw/zinc/20/55/07/1284205507.db2.gz SFZJZGOHRMWOSR-UHFFFAOYSA-N 0 1 358.391 0.233 20 30 FCEDMN CNS(=O)(=O)c1cccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001591221132 1284363199 /nfs/dbraw/zinc/36/31/99/1284363199.db2.gz VHEAQUIRGFYHPN-UHFFFAOYSA-N 0 1 371.386 0.049 20 30 FCEDMN C[NH+](C)CCCOC1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001604686944 1287733649 /nfs/dbraw/zinc/73/36/49/1287733649.db2.gz VPLXMIPNFRTBQT-UHFFFAOYSA-N 0 1 357.422 0.465 20 30 FCEDMN COc1ccc(NC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c(OC)c1 ZINC001591609931 1284771674 /nfs/dbraw/zinc/77/16/74/1284771674.db2.gz ZJLCAUDOLAEYON-UHFFFAOYSA-N 0 1 368.357 0.899 20 30 FCEDMN Cc1cc(N2CC[C@H](NC(=O)CSCC#N)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592009889 1285060241 /nfs/dbraw/zinc/06/02/41/1285060241.db2.gz VVDOTTARNSTNEK-YPMHNXCESA-N 0 1 372.458 0.910 20 30 FCEDMN Cc1cccc(NC(=O)NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1C ZINC001592235935 1285193350 /nfs/dbraw/zinc/19/33/50/1285193350.db2.gz ZTAXPFJODBVIFF-UHFFFAOYSA-N 0 1 365.357 0.900 20 30 FCEDMN C[C@H]1CN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC[N@H+]1CCC(=O)[O-] ZINC001604771610 1287773693 /nfs/dbraw/zinc/77/36/93/1287773693.db2.gz QJKNPUCWIQHVMW-SCLBCKFNSA-N 0 1 356.426 0.752 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001604831862 1287792692 /nfs/dbraw/zinc/79/26/92/1287792692.db2.gz RILQPELSGSGNGU-GFCCVEGCSA-N 0 1 354.418 0.743 20 30 FCEDMN N#CCCOCCN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001592677696 1285572104 /nfs/dbraw/zinc/57/21/04/1285572104.db2.gz FSMKGFYEUIRTIM-UHFFFAOYSA-N 0 1 358.406 0.784 20 30 FCEDMN N#CCOc1cccc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)c1 ZINC001592679905 1285578165 /nfs/dbraw/zinc/57/81/65/1285578165.db2.gz ACJVGSQHYDFFOF-UHFFFAOYSA-N 0 1 371.382 0.643 20 30 FCEDMN N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001592680075 1285579814 /nfs/dbraw/zinc/57/98/14/1285579814.db2.gz DFRDIRFRFOJCCX-PHIMTYICSA-N 0 1 371.430 0.093 20 30 FCEDMN N#Cc1ccc([C@@H]2CN(Cn3cccc(-c4nn[nH]n4)c3=O)CCO2)cc1 ZINC001592692194 1285585188 /nfs/dbraw/zinc/58/51/88/1285585188.db2.gz SPQLADGVYAIPSU-INIZCTEOSA-N 0 1 363.381 0.931 20 30 FCEDMN N#Cc1ccc(C(=O)NCCNCc2cc(-c3nn[nH]n3)ccc2F)[nH]1 ZINC001592690716 1285587008 /nfs/dbraw/zinc/58/70/08/1285587008.db2.gz VJKBLOJKSJPQFE-UHFFFAOYSA-N 0 1 354.349 0.725 20 30 FCEDMN N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C2 ZINC001592697881 1285587917 /nfs/dbraw/zinc/58/79/17/1285587917.db2.gz WRLWTGUMQUUDRR-CYBMUJFWSA-N 0 1 367.394 0.579 20 30 FCEDMN N#Cc1ncn(CCNCc2cc(-c3nn[nH]n3)ccc2Br)n1 ZINC001592710341 1285597014 /nfs/dbraw/zinc/59/70/14/1285597014.db2.gz VQMMNWXWUWODGD-UHFFFAOYSA-N 0 1 374.206 0.882 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001592768111 1285691795 /nfs/dbraw/zinc/69/17/95/1285691795.db2.gz CVJVEWFQPYANDU-DLBZAZTESA-N 0 1 366.425 0.332 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001592768305 1285692991 /nfs/dbraw/zinc/69/29/91/1285692991.db2.gz HGIGVVLGQFBHLM-JKSUJKDBSA-N 0 1 363.425 0.936 20 30 FCEDMN N#CC[C@@H](NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)C(F)(F)F ZINC001601062090 1286624715 /nfs/dbraw/zinc/62/47/15/1286624715.db2.gz MGAWWLOGAPCYMF-ZWNOBZJWSA-N 0 1 364.324 0.402 20 30 FCEDMN N#Cc1cc(F)ccc1N1CC[NH+](CCc2cn(CC(=O)[O-])nn2)CC1 ZINC001601089168 1286630846 /nfs/dbraw/zinc/63/08/46/1286630846.db2.gz RDAZQDXAKGUCAY-UHFFFAOYSA-N 0 1 358.377 0.738 20 30 FCEDMN COc1ccc(CNC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)cc1 ZINC001609355463 1289115611 /nfs/dbraw/zinc/11/56/11/1289115611.db2.gz IOMIESXLQAKVQM-UHFFFAOYSA-N 0 1 352.358 0.568 20 30 FCEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001602697585 1287059757 /nfs/dbraw/zinc/05/97/57/1287059757.db2.gz OOAPKRNYWCBCOU-JSGCOSHPSA-N 0 1 350.386 0.770 20 30 FCEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001602697591 1287060459 /nfs/dbraw/zinc/06/04/59/1287060459.db2.gz OOAPKRNYWCBCOU-TZMCWYRMSA-N 0 1 350.386 0.770 20 30 FCEDMN C#CCC1(O)CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC001602700352 1287061824 /nfs/dbraw/zinc/06/18/24/1287061824.db2.gz VUFMWKWVYLWGDP-QGZVFWFLSA-N 0 1 356.422 0.875 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602703428 1287064665 /nfs/dbraw/zinc/06/46/65/1287064665.db2.gz QHDFADQUNLQVCO-KGLIPLIRSA-N 0 1 353.430 0.994 20 30 FCEDMN C#CCCCC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602703367 1287067048 /nfs/dbraw/zinc/06/70/48/1287067048.db2.gz OVWPMBGWHMZUGG-ZDUSSCGKSA-N 0 1 354.418 0.531 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001602716891 1287073514 /nfs/dbraw/zinc/07/35/14/1287073514.db2.gz TVEYACKCSYRWNA-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001602716891 1287073526 /nfs/dbraw/zinc/07/35/26/1287073526.db2.gz TVEYACKCSYRWNA-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001602716891 1287073537 /nfs/dbraw/zinc/07/35/37/1287073537.db2.gz TVEYACKCSYRWNA-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001602716891 1287073549 /nfs/dbraw/zinc/07/35/49/1287073549.db2.gz TVEYACKCSYRWNA-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCCO1 ZINC001602716595 1287074509 /nfs/dbraw/zinc/07/45/09/1287074509.db2.gz IPXQDQONVKFMKG-SNVBAGLBSA-N 0 1 354.378 0.097 20 30 FCEDMN C#CCN[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C(F)(F)F ZINC001602722591 1287081827 /nfs/dbraw/zinc/08/18/27/1287081827.db2.gz ZWHPCGGFORWUCG-JQWIXIFHSA-N 0 1 367.335 0.811 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602726977 1287092499 /nfs/dbraw/zinc/09/24/99/1287092499.db2.gz JEKPXRYDLKEVQY-SFHVURJKSA-N 0 1 369.429 0.374 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001602735853 1287098551 /nfs/dbraw/zinc/09/85/51/1287098551.db2.gz UJTRCTIAIJZUNW-YVEFUNNKSA-N 0 1 374.408 0.633 20 30 FCEDMN C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC=C(C)CC1 ZINC001602764396 1287107409 /nfs/dbraw/zinc/10/74/09/1287107409.db2.gz WRENAFLUAMTAQI-UHFFFAOYSA-N 0 1 367.421 0.831 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602792472 1287116081 /nfs/dbraw/zinc/11/60/81/1287116081.db2.gz GGGIHGIKHFSKOS-KRWDZBQOSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001602791997 1287116230 /nfs/dbraw/zinc/11/62/30/1287116230.db2.gz CUUDTPQASOMZDM-LXIYXOSZSA-N 0 1 371.445 0.850 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602793915 1287118127 /nfs/dbraw/zinc/11/81/27/1287118127.db2.gz GBPQPEYDAWTGMH-QGZVFWFLSA-N 0 1 359.434 0.792 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602793628 1287118285 /nfs/dbraw/zinc/11/82/85/1287118285.db2.gz DFDXZHWYRJDBKM-JCGVRSQUSA-N 0 1 371.445 0.972 20 30 FCEDMN C=CC1CCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CC)CC1 ZINC001602807766 1287122206 /nfs/dbraw/zinc/12/22/06/1287122206.db2.gz PQEZESWGVBQTJJ-UHFFFAOYSA-N 0 1 355.410 0.520 20 30 FCEDMN C=CC[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC001602815935 1287122879 /nfs/dbraw/zinc/12/28/79/1287122879.db2.gz FKVLOLOWILIOIM-QMMMGPOBSA-N 0 1 350.404 0.604 20 30 FCEDMN C=CCCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602824075 1287126136 /nfs/dbraw/zinc/12/61/36/1287126136.db2.gz IOEQELBOUAUVFE-GFCCVEGCSA-N 0 1 358.406 0.074 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602825455 1287126615 /nfs/dbraw/zinc/12/66/15/1287126615.db2.gz WPXYSHOUMOQSEE-CHWSQXEVSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001602850719 1287137079 /nfs/dbraw/zinc/13/70/79/1287137079.db2.gz SUTFKYFIQBSTPD-ZIAGYGMSSA-N 0 1 373.465 0.834 20 30 FCEDMN C=CCOCCCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001602869396 1287143538 /nfs/dbraw/zinc/14/35/38/1287143538.db2.gz CPYNDRHBRLMZJX-ZDUSSCGKSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCOc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1OC ZINC001602870002 1287144749 /nfs/dbraw/zinc/14/47/49/1287144749.db2.gz HIZZXSPXRJJTSV-UHFFFAOYSA-N 0 1 370.373 0.462 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602892567 1287149719 /nfs/dbraw/zinc/14/97/19/1287149719.db2.gz VTUBYGDUPXNUMC-CHWSQXEVSA-N 0 1 354.418 0.674 20 30 FCEDMN 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TYNNZWOXDOUVBI-KAMYHZANSA-N 0 1 374.466 0.674 20 30 FCEDMN N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001066531295 1198386906 /nfs/dbraw/zinc/38/69/06/1198386906.db2.gz QIKACQGXGAAEIT-YNEHKIRRSA-N 0 1 353.386 0.196 20 30 FCEDMN C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]1O ZINC001219492226 1224486003 /nfs/dbraw/zinc/48/60/03/1224486003.db2.gz BJJIOYHFQHQGKL-MOPGFXCFSA-N 0 1 365.433 0.641 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001219536564 1224502673 /nfs/dbraw/zinc/50/26/73/1224502673.db2.gz UELJUKVYXNLBOO-HBFSDRIKSA-N 0 1 370.453 0.861 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCCOCc2ccccc2)C[C@@H]1O ZINC001219605292 1224525707 /nfs/dbraw/zinc/52/57/07/1224525707.db2.gz ODEBVUZYAYYXEB-QRQLOZEOSA-N 0 1 360.454 0.793 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCCc2cccc(OC)c2)C[C@@H]1O ZINC001219607747 1224527406 /nfs/dbraw/zinc/52/74/06/1224527406.db2.gz YKHFYFIBDJFCDO-LZQZEXGQSA-N 0 1 360.454 0.827 20 30 FCEDMN C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)c1n[nH]c(CC)n1 ZINC001109175652 1200087190 /nfs/dbraw/zinc/08/71/90/1200087190.db2.gz UYUYCJWHGMZSJI-CRWXNKLISA-N 0 1 358.446 0.289 20 30 FCEDMN CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NC)cc1)c1ccn[nH]1 ZINC000770822481 1200494942 /nfs/dbraw/zinc/49/49/42/1200494942.db2.gz FITHORBLYLDXKS-UHFFFAOYSA-N 0 1 373.369 0.692 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(C)CC1)C2 ZINC001109878172 1200586161 /nfs/dbraw/zinc/58/61/61/1200586161.db2.gz JZODTWLSENQYPM-MHORFTMASA-N 0 1 360.502 0.578 20 30 FCEDMN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC001109938298 1200627940 /nfs/dbraw/zinc/62/79/40/1200627940.db2.gz WHIDNUGCTGPVLW-AIANPOQGSA-N 0 1 361.446 0.777 20 30 FCEDMN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1N(C)C)C2 ZINC001109984604 1200677852 /nfs/dbraw/zinc/67/78/52/1200677852.db2.gz JEIFJSILUVYWOU-KMFMINBZSA-N 0 1 355.442 0.232 20 30 FCEDMN CCOC(=O)CON=C(C(=O)Nc1cnc2c(c1)COCC2)c1ccn[nH]1 ZINC000772526409 1200749888 /nfs/dbraw/zinc/74/98/88/1200749888.db2.gz RLCKJYWBWFNKLF-UHFFFAOYSA-N 0 1 373.369 0.800 20 30 FCEDMN CCOC(=O)CON=C(C(=O)N[C@@H]1CCOC[C@@H]1OCC)c1ccn[nH]1 ZINC000772550380 1200754432 /nfs/dbraw/zinc/75/44/32/1200754432.db2.gz VNCJIAXNKOLNEV-YPMHNXCESA-N 0 1 368.390 0.004 20 30 FCEDMN C[N@@H+](CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O)C1CCC1 ZINC001219813703 1224629610 /nfs/dbraw/zinc/62/96/10/1224629610.db2.gz ABROSPPHJKJREK-MSOLQXFVSA-N 0 1 360.433 0.843 20 30 FCEDMN CCOC(=O)CON=C(C(=O)N[C@@H]1Cc2cccc(O)c2C1)c1ccn[nH]1 ZINC000772658963 1200764460 /nfs/dbraw/zinc/76/44/60/1200764460.db2.gz MLIOLBZPESICCB-GFCCVEGCSA-N 0 1 372.381 0.683 20 30 FCEDMN C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001112589300 1200825696 /nfs/dbraw/zinc/82/56/96/1200825696.db2.gz SUOYIJZVOGVXRS-DEYYWGMASA-N 0 1 363.462 0.418 20 30 FCEDMN CCOC(=O)CON=C(C(=O)NCc1cccc2c1OCO2)c1ccn[nH]1 ZINC000789968715 1201045699 /nfs/dbraw/zinc/04/56/99/1201045699.db2.gz PLLBJOSBCXKMFD-UHFFFAOYSA-N 0 1 374.353 0.739 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@@H]2n2ccnn2)nc1 ZINC001129393664 1201202327 /nfs/dbraw/zinc/20/23/27/1201202327.db2.gz QCEIQNSPSVVZJY-QGTPRVQTSA-N 0 1 368.441 0.471 20 30 FCEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001086619228 1201281384 /nfs/dbraw/zinc/28/13/84/1201281384.db2.gz GDIMOACVDNXZLM-JKSUJKDBSA-N 0 1 356.426 0.651 20 30 FCEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001086621804 1201288584 /nfs/dbraw/zinc/28/85/84/1201288584.db2.gz PIVLLMMKIFOKAY-ZWKOTPCHSA-N 0 1 367.453 0.498 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129400737 1201305766 /nfs/dbraw/zinc/30/57/66/1201305766.db2.gz ZDSXOWHWVWOBPZ-SJORKVTESA-N 0 1 366.425 0.073 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@@H](c2cccnc2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129465497 1201319436 /nfs/dbraw/zinc/31/94/36/1201319436.db2.gz JOKPNPBZADYXQW-FGTMMUONSA-N 0 1 369.473 0.894 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484809 1201331284 /nfs/dbraw/zinc/33/12/84/1201331284.db2.gz JKUJBPYDDZLIGZ-MOPGFXCFSA-N 0 1 366.469 0.775 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129496537 1201334899 /nfs/dbraw/zinc/33/48/99/1201334899.db2.gz QMMPDJAYRULGQM-IMJJTQAJSA-N 0 1 360.462 0.501 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@@H]1n1ccnn1 ZINC001129529304 1201336809 /nfs/dbraw/zinc/33/68/09/1201336809.db2.gz IBPVEYSEQGVWOU-NGHLMZTLSA-N 0 1 355.398 0.576 20 30 FCEDMN CCOCC(=O)N1C[C@@H](NCc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1 ZINC001129568184 1201347117 /nfs/dbraw/zinc/34/71/17/1201347117.db2.gz AEAGADUWCAGGIL-SJORKVTESA-N 0 1 354.414 0.728 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@@H]1n1ccnn1 ZINC001129564630 1201347665 /nfs/dbraw/zinc/34/76/65/1201347665.db2.gz FOUTZDJXKJIWMB-OAGGEKHMSA-N 0 1 358.446 0.278 20 30 FCEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1n1ccnn1 ZINC001129573653 1201349706 /nfs/dbraw/zinc/34/97/06/1201349706.db2.gz ROCLMZKPEYVFQG-CFVMTHIKSA-N 0 1 358.402 0.217 20 30 FCEDMN Cc1cncc(CN[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)c1 ZINC001129608472 1201353977 /nfs/dbraw/zinc/35/39/77/1201353977.db2.gz RWBNUPULPRPBME-CVEARBPZSA-N 0 1 371.470 0.780 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129583119 1201354055 /nfs/dbraw/zinc/35/40/55/1201354055.db2.gz VLTJFMFRJLFDSU-KFWWJZLASA-N 0 1 362.478 0.747 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1n1ccnn1 ZINC001129684802 1201369658 /nfs/dbraw/zinc/36/96/58/1201369658.db2.gz LAXQNTPFSNEFDT-CABCVRRESA-N 0 1 358.377 0.117 20 30 FCEDMN CCC(C)(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129678162 1201375565 /nfs/dbraw/zinc/37/55/65/1201375565.db2.gz YDVXLWPJRLSIFD-MCIONIFRSA-N 0 1 361.450 0.084 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](N[C@H](C)C(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129678126 1201375730 /nfs/dbraw/zinc/37/57/30/1201375730.db2.gz WMOUVXNZIAVLKN-OAGGEKHMSA-N 0 1 362.478 0.843 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1n1ccnn1 ZINC001129726903 1201379371 /nfs/dbraw/zinc/37/93/71/1201379371.db2.gz BEEPHVMUVSPLPD-CABCVRRESA-N 0 1 359.474 0.952 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](NCC(=O)N(C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129789408 1201389058 /nfs/dbraw/zinc/38/90/58/1201389058.db2.gz YFZAOUUIFUXMOQ-CVEARBPZSA-N 0 1 358.446 0.044 20 30 FCEDMN Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)n[nH]1 ZINC001129822022 1201400631 /nfs/dbraw/zinc/40/06/31/1201400631.db2.gz AYSPNPWBQZQDAB-YUELXQCFSA-N 0 1 356.434 0.467 20 30 FCEDMN O=C(C#CC1CC1)N1C[C@@H](NCC(=O)NC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129817336 1201401049 /nfs/dbraw/zinc/40/10/49/1201401049.db2.gz XFRBWSPUITWGDF-SJORKVTESA-N 0 1 370.457 0.092 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](NCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129829465 1201402703 /nfs/dbraw/zinc/40/27/03/1201402703.db2.gz IMNABJDYGGWZEF-CVEARBPZSA-N 0 1 360.462 0.292 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@H]2CCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129829472 1201402897 /nfs/dbraw/zinc/40/28/97/1201402897.db2.gz IQGKXQSDHKOCEQ-XHSDSOJGSA-N 0 1 358.446 0.044 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1 ZINC001129857837 1201406357 /nfs/dbraw/zinc/40/63/57/1201406357.db2.gz HAXMXEVCZUQDQM-ZRSRNVLSSA-N 0 1 369.469 0.872 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@@H]1n1ccnn1 ZINC001129864027 1201408402 /nfs/dbraw/zinc/40/84/02/1201408402.db2.gz NUTJQUBZDPRLSY-SJORKVTESA-N 0 1 361.409 0.900 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1 ZINC001129867645 1201417137 /nfs/dbraw/zinc/41/71/37/1201417137.db2.gz VTUACKNYFXDAEX-UAGQMJEPSA-N 0 1 355.446 0.484 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129874860 1201418922 /nfs/dbraw/zinc/41/89/22/1201418922.db2.gz QKLLJSFXBWWPFH-CABCVRRESA-N 0 1 362.478 0.748 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@@H]1n1ccnn1 ZINC001129910070 1201422618 /nfs/dbraw/zinc/42/26/18/1201422618.db2.gz BJWMBWXPHFIJJI-KGLIPLIRSA-N 0 1 361.356 0.684 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@@H]1n1ccnn1 ZINC001129896252 1201430559 /nfs/dbraw/zinc/43/05/59/1201430559.db2.gz VOXKSAJOQVYWGU-CABCVRRESA-N 0 1 368.397 0.123 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H](CC(C)C)n2ccnc2)C[C@@H]1n1ccnn1 ZINC001129902656 1201434848 /nfs/dbraw/zinc/43/48/48/1201434848.db2.gz XAWZGWSMDFVEIU-IKGGRYGDSA-N 0 1 355.446 0.737 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@@H]1n1ccnn1 ZINC001129934305 1201436369 /nfs/dbraw/zinc/43/63/69/1201436369.db2.gz YVJGXUQQFBTBCL-MSOLQXFVSA-N 0 1 361.409 0.900 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@@H]1n1ccnn1 ZINC001129919374 1201441657 /nfs/dbraw/zinc/44/16/57/1201441657.db2.gz VQODHPQBVJYPLE-XHSDSOJGSA-N 0 1 353.430 0.102 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H](OC)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129952139 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCC3)C[C@H]2C1 ZINC001049104849 1218382130 /nfs/dbraw/zinc/38/21/30/1218382130.db2.gz VMHRDYIWDGUIGB-ZMMAXQRCSA-N 0 1 361.486 0.980 20 30 FCEDMN N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@H]3C2)n1 ZINC001049291380 1218411749 /nfs/dbraw/zinc/41/17/49/1218411749.db2.gz SSENDYFMWDWBCH-OLZOCXBDSA-N 0 1 352.402 0.384 20 30 FCEDMN N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CCC2=O)C3)cc1 ZINC001096510787 1218421964 /nfs/dbraw/zinc/42/19/64/1218421964.db2.gz ZWOYJURPHLOWDC-IKGGRYGDSA-N 0 1 366.421 0.929 20 30 FCEDMN N#Cc1nccc(N2CC[C@@H]3CN(C(=O)CCc4c[nH]nn4)C[C@@H]3C2)n1 ZINC001049673543 1218516679 /nfs/dbraw/zinc/51/66/79/1218516679.db2.gz WPHJXTIJIBWCQN-OLZOCXBDSA-N 0 1 352.402 0.384 20 30 FCEDMN N#Cc1nccc(N2CC[C@@H]3CN(C(=O)CCc4cnn[nH]4)C[C@@H]3C2)n1 ZINC001049673543 1218516685 /nfs/dbraw/zinc/51/66/85/1218516685.db2.gz WPHJXTIJIBWCQN-OLZOCXBDSA-N 0 1 352.402 0.384 20 30 FCEDMN N#Cc1cnccc1N1CC[C@@H]2CN(C(=O)CCc3c[nH]nn3)C[C@@H]2C1 ZINC001049673531 1218516890 /nfs/dbraw/zinc/51/68/90/1218516890.db2.gz WJTLCFGUFQKTFH-HIFRSBDPSA-N 0 1 351.414 0.989 20 30 FCEDMN N#Cc1cnccc1N1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)C[C@@H]2C1 ZINC001049673531 1218516902 /nfs/dbraw/zinc/51/69/02/1218516902.db2.gz WJTLCFGUFQKTFH-HIFRSBDPSA-N 0 1 351.414 0.989 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H]3CN(C(=O)CCc4cnc[nH]4)C[C@@H]3C2)nn1 ZINC001049741099 1218544027 /nfs/dbraw/zinc/54/40/27/1218544027.db2.gz DABRTXCRTPNPRV-KGLIPLIRSA-N 0 1 351.414 0.989 20 30 FCEDMN N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C3)c1 ZINC001096680541 1218602533 /nfs/dbraw/zinc/60/25/33/1218602533.db2.gz LLNLYWRYSMWUIY-YVSFHVDLSA-N 0 1 366.421 0.833 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCN2C(=O)CNC2=O)c[nH]1 ZINC001096981901 1218651942 /nfs/dbraw/zinc/65/19/42/1218651942.db2.gz HNBLLQMREHRWFQ-KFWWJZLASA-N 0 1 370.413 0.163 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[n-]1)OCC ZINC001226553474 1225846583 /nfs/dbraw/zinc/84/65/83/1225846583.db2.gz DGLWMGNERFQPEA-RBSFLKMASA-N 0 1 365.478 0.997 20 30 FCEDMN CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C#N)c2)NC1=O ZINC001097647795 1218833379 /nfs/dbraw/zinc/83/33/79/1218833379.db2.gz IXZANOLVXBTYGZ-NCOADZHNSA-N 0 1 353.426 0.803 20 30 FCEDMN C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001052968963 1218869813 /nfs/dbraw/zinc/86/98/13/1218869813.db2.gz VPXFNPGMCNNZIA-FRRDWIJNSA-N 0 1 366.429 0.460 20 30 FCEDMN C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001052968963 1218869814 /nfs/dbraw/zinc/86/98/14/1218869814.db2.gz VPXFNPGMCNNZIA-FRRDWIJNSA-N 0 1 366.429 0.460 20 30 FCEDMN C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1[nH]c(=O)nc2cnncc21 ZINC001226688187 1225852238 /nfs/dbraw/zinc/85/22/38/1225852238.db2.gz NHBDIHZEXPGARI-SNVBAGLBSA-N 0 1 360.326 0.721 20 30 FCEDMN C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053522774 1218886748 /nfs/dbraw/zinc/88/67/48/1218886748.db2.gz ROXALYNXSDUWOX-CHWSQXEVSA-N 0 1 354.418 0.418 20 30 FCEDMN C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053522774 1218886749 /nfs/dbraw/zinc/88/67/49/1218886749.db2.gz ROXALYNXSDUWOX-CHWSQXEVSA-N 0 1 354.418 0.418 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)c4ncn[nH]4)CCC[C@@H]23)n1 ZINC001054743910 1218956152 /nfs/dbraw/zinc/95/61/52/1218956152.db2.gz YDWOYZDBRLTIGM-CXAGYDPISA-N 0 1 352.402 0.954 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)c4nc[nH]n4)CCC[C@@H]23)n1 ZINC001054743910 1218956153 /nfs/dbraw/zinc/95/61/53/1218956153.db2.gz YDWOYZDBRLTIGM-CXAGYDPISA-N 0 1 352.402 0.954 20 30 FCEDMN N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCc4[nH]nnc4C2)C3)nn1 ZINC001055067170 1218987840 /nfs/dbraw/zinc/98/78/40/1218987840.db2.gz YBKVIFSUUGEQHC-RPCMGYBJSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCc4nn[nH]c4C2)C3)nn1 ZINC001055067170 1218987843 /nfs/dbraw/zinc/98/78/43/1218987843.db2.gz YBKVIFSUUGEQHC-RPCMGYBJSA-N 0 1 364.413 0.497 20 30 FCEDMN CCCCCCCN1C[C@H](O)C[C@H]1C(=O)N1CC2(C1)CC[C@H](C(N)=O)O2 ZINC001277172727 1225860320 /nfs/dbraw/zinc/86/03/20/1225860320.db2.gz MCVCLVSXPLABLK-OWCLPIDISA-N 0 1 367.490 0.637 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(CCNC(=O)CCOC)CC1 ZINC001055486178 1219059116 /nfs/dbraw/zinc/05/91/16/1219059116.db2.gz RJOIGZLUYCUCLA-WMZOPIPTSA-N 0 1 367.490 0.701 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)nn1 ZINC001097998865 1219063303 /nfs/dbraw/zinc/06/33/03/1219063303.db2.gz DGTRLFDMISWBLW-DLTWYDFYSA-N 0 1 371.445 0.057 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)c2n[nH]c(C)n2)nn1 ZINC001097999403 1219067150 /nfs/dbraw/zinc/06/71/50/1219067150.db2.gz UTSAKMMHACVHMI-OPQSFPLASA-N 0 1 356.434 0.987 20 30 FCEDMN C=CCOCC(=O)NCCN1CCC(NC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001055544474 1219075003 /nfs/dbraw/zinc/07/50/03/1219075003.db2.gz VXLUXPCTKVDPSK-QAPCUYQASA-N 0 1 367.490 0.701 20 30 FCEDMN CN1CC(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(C#N)nn2)C3)=NC1=O ZINC001055576425 1219084368 /nfs/dbraw/zinc/08/43/68/1219084368.db2.gz UWLTUGQTBOIILQ-GTNSWQLSSA-N 0 1 353.386 0.576 20 30 FCEDMN CN1CC(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2C#N)C3)=NC1=O ZINC001055576201 1219084589 /nfs/dbraw/zinc/08/45/89/1219084589.db2.gz LDSFHXJWCXPUBK-GTNSWQLSSA-N 0 1 353.386 0.576 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055577444 1219084936 /nfs/dbraw/zinc/08/49/36/1219084936.db2.gz JZUVNUABHUBUHA-JCGIZDLHSA-N 0 1 361.486 0.768 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCC(NC(=O)[C@@H](C)OC)CC1 ZINC001055582687 1219087326 /nfs/dbraw/zinc/08/73/26/1219087326.db2.gz LAIUYZFXDPZIBC-PVAVHDDUSA-N 0 1 367.490 0.699 20 30 FCEDMN CCc1nc(C#N)cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cnn[nH]3)C2)n1 ZINC001055593466 1219092754 /nfs/dbraw/zinc/09/27/54/1219092754.db2.gz XRKHHMJWRQZHTR-GTNSWQLSSA-N 0 1 352.402 0.818 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2C(F)(F)F)n1 ZINC001055606552 1219097278 /nfs/dbraw/zinc/09/72/78/1219097278.db2.gz OBQLQBGHXAMVQZ-GHMZBOCLSA-N 0 1 365.319 0.537 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072481 1219139360 /nfs/dbraw/zinc/13/93/60/1219139360.db2.gz KCQADUPBKATQSD-XHSDSOJGSA-N 0 1 360.462 0.454 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084442 1219153931 /nfs/dbraw/zinc/15/39/31/1219153931.db2.gz CMVQORNPHXWNDC-NXHRZFHOSA-N 0 1 350.426 0.453 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@@H](n2ccnn2)C1 ZINC001070086662 1219156324 /nfs/dbraw/zinc/15/63/24/1219156324.db2.gz GWANUVKDNWKMGW-MSOLQXFVSA-N 0 1 363.425 0.762 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2c(C)nn3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070095963 1219166208 /nfs/dbraw/zinc/16/62/08/1219166208.db2.gz BOQBQFFJLFWOFI-CABCVRRESA-N 0 1 366.429 0.861 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070100178 1219174430 /nfs/dbraw/zinc/17/44/30/1219174430.db2.gz INQDTTYULXOQQX-XKQJLSEDSA-N 0 1 353.430 0.171 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@@H](n2ccnn2)C1 ZINC001070102807 1219178112 /nfs/dbraw/zinc/17/81/12/1219178112.db2.gz XJKPYTNEPXTWDW-KFWWJZLASA-N 0 1 356.434 0.050 20 30 FCEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2n2ccnn2)C1=O ZINC001070121396 1219193995 /nfs/dbraw/zinc/19/39/95/1219193995.db2.gz HAISYRXFWQKDPB-XQQFMLRXSA-N 0 1 368.388 0.062 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@@H](NCc2cccc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070159959 1219248769 /nfs/dbraw/zinc/24/87/69/1219248769.db2.gz XOGAWYXXYGVIIW-WQVCFCJDSA-N 0 1 367.413 0.078 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@@H]1n1ccnn1 ZINC001070196042 1219286942 /nfs/dbraw/zinc/28/69/42/1219286942.db2.gz HTYRJNCRATWVSD-BDXSIMOUSA-N 0 1 366.425 0.426 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cn(-c3ccccc3)cn2)C[C@@H]1n1ccnn1 ZINC001070198127 1219287758 /nfs/dbraw/zinc/28/77/58/1219287758.db2.gz OESZIBNYWGUOBQ-AEFFLSMTSA-N 0 1 361.409 0.752 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001070198079 1219287848 /nfs/dbraw/zinc/28/78/48/1219287848.db2.gz KSPOXKYNKOTOPE-XYPHTWIQSA-N 0 1 357.389 0.859 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@@H]1n1ccnn1 ZINC001070206384 1219292807 /nfs/dbraw/zinc/29/28/07/1219292807.db2.gz YCIRQMLFPUSVRE-CABCVRRESA-N 0 1 353.382 0.338 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@@H]1n1ccnn1 ZINC001070212876 1219296492 /nfs/dbraw/zinc/29/64/92/1219296492.db2.gz VFAMFFGWAAWARL-SJORKVTESA-N 0 1 362.397 0.147 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001070228070 1219307499 /nfs/dbraw/zinc/30/74/99/1219307499.db2.gz FJVLKCQLZKGKFL-SJORKVTESA-N 0 1 362.393 0.408 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070229509 1219308454 /nfs/dbraw/zinc/30/84/54/1219308454.db2.gz WMPQEWQKWILJOH-MSOLQXFVSA-N 0 1 350.426 0.840 20 30 FCEDMN 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CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)c2coc(C(N)=O)c2)CC1 ZINC001575122871 1271732749 /nfs/dbraw/zinc/73/27/49/1271732749.db2.gz MPUBSEQZAJJKBT-UHFFFAOYSA-N 0 1 370.413 0.627 20 30 FCEDMN CC(C)(C)OC(=O)C1(CNC(=O)N[C@@H]2CNC[C@@H]2C#N)CCOCC1 ZINC001575153281 1271751302 /nfs/dbraw/zinc/75/13/02/1271751302.db2.gz PKXRIGIFPRDHTN-QWHCGFSZSA-N 0 1 352.435 0.536 20 30 FCEDMN C[C@@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001575176774 1271765349 /nfs/dbraw/zinc/76/53/49/1271765349.db2.gz HQPMBNBZPNTYIG-ZDUSSCGKSA-N 0 1 369.429 0.936 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001575176212 1271765542 /nfs/dbraw/zinc/76/55/42/1271765542.db2.gz FHAUFQNCOAGOFU-OLZOCXBDSA-N 0 1 373.461 0.139 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CCOC2)CC1 ZINC001575176967 1271765658 /nfs/dbraw/zinc/76/56/58/1271765658.db2.gz JFIVJDBBLASHGK-QWHCGFSZSA-N 0 1 360.418 0.320 20 30 FCEDMN CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCCOC1 ZINC001575216332 1271797277 /nfs/dbraw/zinc/79/72/77/1271797277.db2.gz RUTBFDRNXNTPRI-PBFPGSCMSA-N 0 1 352.435 0.536 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H](C)NC(=O)c1cccnc1OCc1c[nH]nn1 ZINC001575319032 1271920825 /nfs/dbraw/zinc/92/08/25/1271920825.db2.gz WDJFBJZIZFWGLQ-ZDUSSCGKSA-N 0 1 370.413 0.673 20 30 FCEDMN CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575318997 1271921060 /nfs/dbraw/zinc/92/10/60/1271921060.db2.gz VEBFINSLWRDCBJ-HOCLYGCPSA-N 0 1 361.446 0.819 20 30 FCEDMN CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCCCCc2cn[nH]n2)C1 ZINC001575318993 1271922467 /nfs/dbraw/zinc/92/24/67/1271922467.db2.gz VCKWOMIRQKTJBX-UHFFFAOYSA-N 0 1 361.446 0.257 20 30 FCEDMN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575320689 1271925196 /nfs/dbraw/zinc/92/51/96/1271925196.db2.gz VPFDFRQNLIZUIK-VHSXEESVSA-N 0 1 351.374 0.502 20 30 FCEDMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575329559 1271941127 /nfs/dbraw/zinc/94/11/27/1271941127.db2.gz BJXBDFGDLSNTKU-ZJUUUORDSA-N 0 1 351.374 0.502 20 30 FCEDMN C[C@H](CN(C)CC(=O)NCc1c[nH]nn1)NC(=O)CC#Cc1ccccc1 ZINC001575562013 1272198863 /nfs/dbraw/zinc/19/88/63/1272198863.db2.gz DJTGYGPLXSLHJC-OAHLLOKOSA-N 0 1 368.441 0.299 20 30 FCEDMN C[C@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)CNc1ccnc(C#N)n1 ZINC001575600577 1272225522 /nfs/dbraw/zinc/22/55/22/1272225522.db2.gz FPRFHKMUXCABTI-NSHDSACASA-N 0 1 363.385 0.428 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001575717384 1272363636 /nfs/dbraw/zinc/36/36/36/1272363636.db2.gz DHBBLISXSYPVIV-AAEUAGOBSA-N 0 1 356.390 0.109 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001575822553 1272481552 /nfs/dbraw/zinc/48/15/52/1272481552.db2.gz KHZSGBGKJAMOSX-RYUDHWBXSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001575824451 1272484173 /nfs/dbraw/zinc/48/41/73/1272484173.db2.gz DATAWXANGDPOAO-XYPHTWIQSA-N 0 1 371.441 0.715 20 30 FCEDMN C[C@@H](OCc1cn[nH]n1)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001575830967 1272498190 /nfs/dbraw/zinc/49/81/90/1272498190.db2.gz YACLCDBLVFBHSF-CZUORRHYSA-N 0 1 354.414 0.972 20 30 FCEDMN C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575837327 1272505225 /nfs/dbraw/zinc/50/52/25/1272505225.db2.gz VFWFGGBNZMLZQK-MRXNPFEDSA-N 0 1 364.373 0.255 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001575854578 1272529074 /nfs/dbraw/zinc/52/90/74/1272529074.db2.gz QEGBZFCVIGUFFO-LLVKDONJSA-N 0 1 371.401 0.378 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001575868487 1272538252 /nfs/dbraw/zinc/53/82/52/1272538252.db2.gz NXPSXZRSXDODSY-QWHCGFSZSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001575868485 1272538837 /nfs/dbraw/zinc/53/88/37/1272538837.db2.gz NXPSXZRSXDODSY-CHWSQXEVSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@@H](OCc1cn[nH]n1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001575874508 1272539977 /nfs/dbraw/zinc/53/99/77/1272539977.db2.gz AENMRXYJQYWNJE-CZUORRHYSA-N 0 1 354.414 0.972 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001575874515 1272540314 /nfs/dbraw/zinc/54/03/14/1272540314.db2.gz AGZKQCFCRLMOGX-UEKVPHQBSA-N 0 1 371.401 0.186 20 30 FCEDMN CC1(C)C[C@@H]1C(=O)N(Cc1c[nH]nn1)C1CCN(CC(=O)NCC#N)CC1 ZINC001575964026 1272617119 /nfs/dbraw/zinc/61/71/19/1272617119.db2.gz KQSIXZFPICDYFV-OAHLLOKOSA-N 0 1 373.461 0.284 20 30 FCEDMN C[C@]1(CNC(=O)CCCc2c[nH]nn2)CN(c2nccnc2C#N)CCO1 ZINC001575980271 1272638765 /nfs/dbraw/zinc/63/87/65/1272638765.db2.gz QLKHSHCDGLGGJD-KRWDZBQOSA-N 0 1 370.417 0.201 20 30 FCEDMN C[C@]1(CNC(=O)CCCc2cnn[nH]2)CN(c2nccnc2C#N)CCO1 ZINC001575980271 1272638772 /nfs/dbraw/zinc/63/87/72/1272638772.db2.gz QLKHSHCDGLGGJD-KRWDZBQOSA-N 0 1 370.417 0.201 20 30 FCEDMN C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576043552 1272765968 /nfs/dbraw/zinc/76/59/68/1272765968.db2.gz ACHUTAUAVHUTKX-WCQYABFASA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576300514 1273112022 /nfs/dbraw/zinc/11/20/22/1273112022.db2.gz YBLSJQUAAPGPNN-ZUZCIYMTSA-N 0 1 363.385 0.456 20 30 FCEDMN CCN(CCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1cncc(C#N)n1 ZINC001576536582 1273423025 /nfs/dbraw/zinc/42/30/25/1273423025.db2.gz RHGVTKKTABFNRK-HNNXBMFYSA-N 0 1 369.433 0.073 20 30 FCEDMN CCOCCC(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@H](C)C#N)CC1 ZINC001576579089 1273458115 /nfs/dbraw/zinc/45/81/15/1273458115.db2.gz MRXNEBTUKMXTQP-CYBMUJFWSA-N 0 1 362.434 0.711 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)CCOCc2c[nH]nn2)C1 ZINC001576737847 1273606882 /nfs/dbraw/zinc/60/68/82/1273606882.db2.gz KOCPPYYBPLGHTP-UHFFFAOYSA-N 0 1 371.401 0.331 20 30 FCEDMN CN(CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001576757074 1273630519 /nfs/dbraw/zinc/63/05/19/1273630519.db2.gz ILRDFOWIPDEMLJ-IBGZPJMESA-N 0 1 366.469 0.869 20 30 FCEDMN CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)CCOCc1c[nH]nn1 ZINC001576798611 1273704433 /nfs/dbraw/zinc/70/44/33/1273704433.db2.gz IXXDUFKISZDIMX-UHFFFAOYSA-N 0 1 373.417 0.532 20 30 FCEDMN CO[C@H](C)CC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001576930566 1273954004 /nfs/dbraw/zinc/95/40/04/1273954004.db2.gz PBKPXDVVPLEPBY-CHWSQXEVSA-N 0 1 362.434 0.709 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)[C@H]1C ZINC001576952271 1273971138 /nfs/dbraw/zinc/97/11/38/1273971138.db2.gz FZKDETZHGILKSX-HIFRSBDPSA-N 0 1 354.414 0.709 20 30 FCEDMN COc1cccnc1CC(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1 ZINC001577091780 1274151150 /nfs/dbraw/zinc/15/11/50/1274151150.db2.gz XFJLYTUQZASTMP-UHFFFAOYSA-N 0 1 369.429 0.768 20 30 FCEDMN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC001577093609 1274153042 /nfs/dbraw/zinc/15/30/42/1274153042.db2.gz UQSOBKGTUGIESK-GUTXKFCHSA-N 0 1 350.444 0.650 20 30 FCEDMN C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCOCc1c[nH]nn1 ZINC001577125886 1274178607 /nfs/dbraw/zinc/17/86/07/1274178607.db2.gz KZZNFRLXJROKHK-NSHDSACASA-N 0 1 359.390 0.236 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001577155513 1274205425 /nfs/dbraw/zinc/20/54/25/1274205425.db2.gz UDQQEDPGZBJIAW-IAQYHMDHSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001577155513 1274205430 /nfs/dbraw/zinc/20/54/30/1274205430.db2.gz UDQQEDPGZBJIAW-IAQYHMDHSA-N 0 1 355.402 0.604 20 30 FCEDMN CC[C@H](NC(=O)N[C@H]1CNC[C@@H]1C#N)c1ccccc1OCC(=O)NC ZINC001577160353 1274207526 /nfs/dbraw/zinc/20/75/26/1274207526.db2.gz ZUFOEKZFBTZBIP-QEJZJMRPSA-N 0 1 359.430 0.673 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C[C@H]1NC(=O)C#CC1CC1 ZINC001577162481 1274207869 /nfs/dbraw/zinc/20/78/69/1274207869.db2.gz SLSYEILTXQDBMI-SJKOYZFVSA-N 0 1 364.409 0.857 20 30 FCEDMN CC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H](CC)CN1C(C)=O ZINC001577176662 1274226568 /nfs/dbraw/zinc/22/65/68/1274226568.db2.gz GRCYVWYRYSQQCE-RYUDHWBXSA-N 0 1 355.406 0.754 20 30 FCEDMN CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577523019 1274469207 /nfs/dbraw/zinc/46/92/07/1274469207.db2.gz KLOYWZMNKBMUMT-NWDGAFQWSA-N 0 1 355.406 0.634 20 30 FCEDMN N#CCN1CCN([C@H]2CCN(C(=O)c3ccc(-c4cn[nH]n4)cc3)C2)CC1 ZINC001577706766 1274767560 /nfs/dbraw/zinc/76/75/60/1274767560.db2.gz SOIHSNDGTUJHOI-KRWDZBQOSA-N 0 1 365.441 0.827 20 30 FCEDMN N#CCSCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577709990 1274768881 /nfs/dbraw/zinc/76/88/81/1274768881.db2.gz LCTWSLXHTDEXFP-HAQNSBGRSA-N 0 1 371.426 0.500 20 30 FCEDMN N#CCSCC(=O)N1CC[C@H](NC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001577709902 1274769641 /nfs/dbraw/zinc/76/96/41/1274769641.db2.gz HGZGZQWHLSCCFV-ZDUSSCGKSA-N 0 1 371.426 0.454 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC(CNC(=O)CCCc3c[nH]nn3)CC2)c[nH]1 ZINC001577712128 1274772039 /nfs/dbraw/zinc/77/20/39/1274772039.db2.gz BKLFKNBCYRLZFN-UHFFFAOYSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c[nH]1 ZINC001577712128 1274772046 /nfs/dbraw/zinc/77/20/46/1274772046.db2.gz BKLFKNBCYRLZFN-UHFFFAOYSA-N 0 1 369.429 0.996 20 30 FCEDMN N#CCSCC(=O)NCC1(NC(=O)CCCc2c[nH]nn2)CCCC1 ZINC001577710217 1274772146 /nfs/dbraw/zinc/77/21/46/1274772146.db2.gz SPJLSQWSTWWPDI-UHFFFAOYSA-N 0 1 364.475 0.929 20 30 FCEDMN N#CCSCC(=O)NCC1(NC(=O)CCCc2cnn[nH]2)CCCC1 ZINC001577710217 1274772153 /nfs/dbraw/zinc/77/21/53/1274772153.db2.gz SPJLSQWSTWWPDI-UHFFFAOYSA-N 0 1 364.475 0.929 20 30 FCEDMN N#CCNC[C@H]1CN(C(=O)CCOCc2c[nH]nn2)CC[C@H]1C(F)(F)F ZINC001577710298 1274772319 /nfs/dbraw/zinc/77/23/19/1274772319.db2.gz WKLBIUGQOPAGCL-WCQYABFASA-N 0 1 374.367 0.852 20 30 FCEDMN N#CCNC[C@H]1CN(C(=O)CCOCc2c[nH]nn2)CC[C@@H]1C(F)(F)F ZINC001577710296 1274772413 /nfs/dbraw/zinc/77/24/13/1274772413.db2.gz WKLBIUGQOPAGCL-AAEUAGOBSA-N 0 1 374.367 0.852 20 30 FCEDMN N#CCNC[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)CC[C@H]1C(F)(F)F ZINC001577710297 1274772520 /nfs/dbraw/zinc/77/25/20/1274772520.db2.gz WKLBIUGQOPAGCL-DGCLKSJQSA-N 0 1 374.367 0.852 20 30 FCEDMN N#Cc1cc(C(=O)NC2CN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C2)c[nH]1 ZINC001577712723 1274774864 /nfs/dbraw/zinc/77/48/64/1274774864.db2.gz WQQBABHIOVIHCN-UHFFFAOYSA-N 0 1 362.353 0.321 20 30 FCEDMN N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CCOCc2c[nH]nn2)nn1 ZINC001577717556 1274777137 /nfs/dbraw/zinc/77/71/37/1274777137.db2.gz IOMBWNKWYNZNTL-HNNXBMFYSA-N 0 1 370.417 0.866 20 30 FCEDMN N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3cn[nH]n3)cn2)n1 ZINC001577719413 1274782157 /nfs/dbraw/zinc/78/21/57/1274782157.db2.gz RSILKQKXQHWTLQ-STQMWFEESA-N 0 1 373.380 0.632 20 30 FCEDMN N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)cn1 ZINC001577719237 1274782228 /nfs/dbraw/zinc/78/22/28/1274782228.db2.gz NBHVXRCDYVXUQT-CHWSQXEVSA-N 0 1 370.417 0.913 20 30 FCEDMN N#Cc1cncc(N2CCN(C(=O)c3cncc(-c4cn[nH]n4)c3)CC2)n1 ZINC001577719042 1274782730 /nfs/dbraw/zinc/78/27/30/1274782730.db2.gz GMZPAEBMXOJUKU-UHFFFAOYSA-N 0 1 361.369 0.491 20 30 FCEDMN N#Cc1cnc(N2CC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c(F)c1 ZINC001577719748 1274784357 /nfs/dbraw/zinc/78/43/57/1274784357.db2.gz YUUYHXWEGKTYKV-LBPRGKRZSA-N 0 1 359.365 0.512 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)CCO1 ZINC001577745980 1274821993 /nfs/dbraw/zinc/82/19/93/1274821993.db2.gz OHVXBYBPSJWDSD-MRXNPFEDSA-N 0 1 371.441 0.275 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 ZINC001577745980 1274822006 /nfs/dbraw/zinc/82/20/06/1274822006.db2.gz OHVXBYBPSJWDSD-MRXNPFEDSA-N 0 1 371.441 0.275 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C[C@H]21 ZINC001577746443 1274825094 /nfs/dbraw/zinc/82/50/94/1274825094.db2.gz ZCPZADQNUWLNLC-UOIKSKOESA-N 0 1 362.393 0.467 20 30 FCEDMN O=C(CC#Cc1ccccc1)NC[C@H]1CN(Cc2c[nH]nn2)CCCO1 ZINC001577766755 1274850103 /nfs/dbraw/zinc/85/01/03/1274850103.db2.gz ZJYWMXKQZIURDQ-SFHVURJKSA-N 0 1 353.426 0.954 20 30 FCEDMN O=C(C#CC1CC1)N(CCO)[C@@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577835399 1274949345 /nfs/dbraw/zinc/94/93/45/1274949345.db2.gz MGKLKXUFFSWQHV-QGZVFWFLSA-N 0 1 373.457 0.353 20 30 FCEDMN O=C(C#CC1CC1)N(CCO)[C@@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577835399 1274949352 /nfs/dbraw/zinc/94/93/52/1274949352.db2.gz MGKLKXUFFSWQHV-QGZVFWFLSA-N 0 1 373.457 0.353 20 30 FCEDMN CCOC(=O)[C@]1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCCOC1 ZINC001578243936 1275546417 /nfs/dbraw/zinc/54/64/17/1275546417.db2.gz FHEJQFDWZBEJMC-HNNXBMFYSA-N 0 1 358.362 0.300 20 30 FCEDMN CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001578380357 1275756942 /nfs/dbraw/zinc/75/69/42/1275756942.db2.gz KSZAUXCLQFUDKU-YWPYICTPSA-N 0 1 370.417 0.119 20 30 FCEDMN C[NH+](C)CCN(Cc1ccccn1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578992524 1276567603 /nfs/dbraw/zinc/56/76/03/1276567603.db2.gz YFFVLEJDFMDDPT-UHFFFAOYSA-N 0 1 350.390 0.492 20 30 FCEDMN C[NH+](C)CCN(Cc1ccccn1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578992524 1276567607 /nfs/dbraw/zinc/56/76/07/1276567607.db2.gz YFFVLEJDFMDDPT-UHFFFAOYSA-N 0 1 350.390 0.492 20 30 FCEDMN COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC001579073677 1276686143 /nfs/dbraw/zinc/68/61/43/1276686143.db2.gz RITNLULSLDAUBV-CAQPCFEESA-N 0 1 350.444 0.815 20 30 FCEDMN COC(=O)c1ccc(OC)c(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001579484484 1277395524 /nfs/dbraw/zinc/39/55/24/1277395524.db2.gz GJHMMZLVISREKL-UHFFFAOYSA-N 0 1 354.330 0.361 20 30 FCEDMN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC001579667839 1277742451 /nfs/dbraw/zinc/74/24/51/1277742451.db2.gz UCKRXXDJWWTGAZ-KURKYZTESA-N 0 1 357.458 0.779 20 30 FCEDMN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC001579667837 1277742870 /nfs/dbraw/zinc/74/28/70/1277742870.db2.gz UCKRXXDJWWTGAZ-BZSNNMDCSA-N 0 1 357.458 0.779 20 30 FCEDMN COCc1nc(Cl)cc(N(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)n1 ZINC001579840657 1277929535 /nfs/dbraw/zinc/92/95/35/1277929535.db2.gz PGUFJJWAZFHWDS-UHFFFAOYSA-N 0 1 358.753 0.886 20 30 FCEDMN COc1ccc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1C#N ZINC001580039790 1277997633 /nfs/dbraw/zinc/99/76/33/1277997633.db2.gz ATPACHFZSTWYFA-UHFFFAOYSA-N 0 1 354.334 0.160 20 30 FCEDMN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001580978476 1279178797 /nfs/dbraw/zinc/17/87/97/1279178797.db2.gz YCLRQBJJPDHTCJ-RCCPXBDUSA-N 0 1 352.402 0.956 20 30 FCEDMN Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580989566 1279190684 /nfs/dbraw/zinc/19/06/84/1279190684.db2.gz ONICBEIWLYIVCJ-QWRGUYRKSA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581007027 1279226454 /nfs/dbraw/zinc/22/64/54/1279226454.db2.gz FWMGEONDDFXWCO-LBPRGKRZSA-N 0 1 363.385 0.518 20 30 FCEDMN Cc1cc(N[C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581008117 1279230082 /nfs/dbraw/zinc/23/00/82/1279230082.db2.gz FSLRJXHESAWBKD-HZMBPMFUSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581008119 1279231019 /nfs/dbraw/zinc/23/10/19/1279231019.db2.gz FSLRJXHESAWBKD-IINYFYTJSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(NC[C@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011433 1279238293 /nfs/dbraw/zinc/23/82/93/1279238293.db2.gz KLEPAXKMYDOIDP-ZUZCIYMTSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(NC[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013621 1279240276 /nfs/dbraw/zinc/24/02/76/1279240276.db2.gz UKORMVRBZWZAMS-JTQLQIEISA-N 0 1 365.401 0.670 20 30 FCEDMN N#C[C@@]12CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]1CS(=O)(=O)C2 ZINC001581859418 1280610343 /nfs/dbraw/zinc/61/03/43/1280610343.db2.gz GZZBQNDFKYXDFY-KGFZYKRKSA-N 0 1 371.835 0.351 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1ccc(CN2CCOCC2)cc1 ZINC001581860741 1280613354 /nfs/dbraw/zinc/61/33/54/1280613354.db2.gz QZIIEASMRHEMKT-UHFFFAOYSA-N 0 1 365.401 0.398 20 30 FCEDMN N#Cc1csc(CNc2n[nH]c(N3CCOCC3)c2-c2nn[nH]n2)n1 ZINC001581878552 1280635240 /nfs/dbraw/zinc/63/52/40/1280635240.db2.gz QQODDUQBVLNEDX-UHFFFAOYSA-N 0 1 358.391 0.367 20 30 FCEDMN N#Cc1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cnc1-c1nnn[n-]1 ZINC001581879367 1280637835 /nfs/dbraw/zinc/63/78/35/1280637835.db2.gz HUSZSJNVNDECMQ-GFCCVEGCSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cnc1-c1nn[n-]n1 ZINC001581879367 1280637842 /nfs/dbraw/zinc/63/78/42/1280637842.db2.gz HUSZSJNVNDECMQ-GFCCVEGCSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1ncc(N2CCCN(c3nccs3)CC2)nc1-c1nn[nH]n1 ZINC001581881981 1280641486 /nfs/dbraw/zinc/64/14/86/1280641486.db2.gz HCFMOCFJEFZAON-UHFFFAOYSA-N 0 1 354.403 0.702 20 30 FCEDMN N#Cc1ncc(NCC2([NH+]3CCCCC3)CCOCC2)nc1-c1nn[n-]n1 ZINC001581882556 1280643613 /nfs/dbraw/zinc/64/36/13/1280643613.db2.gz CUERCKDUINLZKS-UHFFFAOYSA-N 0 1 369.433 0.975 20 30 FCEDMN N#Cc1ncc(N2CCC(c3nnc4n3CCC4)CC2)nc1-c1nn[nH]n1 ZINC001581882232 1280643786 /nfs/dbraw/zinc/64/37/86/1280643786.db2.gz QCKMKHZCMQFXGQ-UHFFFAOYSA-N 0 1 363.389 0.450 20 30 FCEDMN N#Cc1ncc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001581883103 1280646683 /nfs/dbraw/zinc/64/66/83/1280646683.db2.gz ODRSITWJDPUWEJ-ZDUSSCGKSA-N 0 1 365.376 0.688 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(c3ncccc3F)C2)nc1-c1nn[nH]n1 ZINC001581883126 1280647455 /nfs/dbraw/zinc/64/74/55/1280647455.db2.gz OUFPYUVTKNBSQI-SECBINFHSA-N 0 1 352.337 0.753 20 30 FCEDMN N#Cc1ncc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)nc1-c1nn[nH]n1 ZINC001581884150 1280650324 /nfs/dbraw/zinc/65/03/24/1280650324.db2.gz MXBRBVVBEVXTLC-IINYFYTJSA-N 0 1 356.390 0.508 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581912656 1280716697 /nfs/dbraw/zinc/71/66/97/1280716697.db2.gz SUTYMPPLSGEFCW-UONOGXRCSA-N 0 1 351.414 0.794 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581912655 1280716964 /nfs/dbraw/zinc/71/69/64/1280716964.db2.gz SUTYMPPLSGEFCW-KGLIPLIRSA-N 0 1 351.414 0.794 20 30 FCEDMN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001603913975 1287530725 /nfs/dbraw/zinc/53/07/25/1287530725.db2.gz QWGVFJMLPQBTDT-ZFWWWQNUSA-N 0 1 365.441 0.994 20 30 FCEDMN N#Cc1cn(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)[n-]c1=O ZINC001587547374 1282362315 /nfs/dbraw/zinc/36/23/15/1282362315.db2.gz KNSYAXKZZXDQAA-INIZCTEOSA-N 0 1 367.409 0.601 20 30 FCEDMN C#CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001588330456 1282421787 /nfs/dbraw/zinc/42/17/87/1282421787.db2.gz CYCBSABZFIKBDC-UHFFFAOYSA-N 0 1 362.371 0.809 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588341511 1282438374 /nfs/dbraw/zinc/43/83/74/1282438374.db2.gz JOYCYASGGYKUBW-ZIAGYGMSSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588355082 1282450694 /nfs/dbraw/zinc/45/06/94/1282450694.db2.gz FDKQGCOWOBYQAL-HIFRSBDPSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588354874 1282451492 /nfs/dbraw/zinc/45/14/92/1282451492.db2.gz BTBOQLLTYPBDNC-IAQYHMDHSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355149 1282453481 /nfs/dbraw/zinc/45/34/81/1282453481.db2.gz FPLRWDONKNLQQM-NEPJUHHUSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588355149 1282453488 /nfs/dbraw/zinc/45/34/88/1282453488.db2.gz FPLRWDONKNLQQM-NEPJUHHUSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588355233 1282453666 /nfs/dbraw/zinc/45/36/66/1282453666.db2.gz GFZATLBGRUKONX-GFCCVEGCSA-N 0 1 355.402 0.385 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355596 1282455571 /nfs/dbraw/zinc/45/55/71/1282455571.db2.gz KDMBKCZKSIRKII-NEPJUHHUSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355596 1282455575 /nfs/dbraw/zinc/45/55/75/1282455575.db2.gz KDMBKCZKSIRKII-NEPJUHHUSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356138 1282457636 /nfs/dbraw/zinc/45/76/36/1282457636.db2.gz TZWJPIYKDRTDIL-HIFPTAJRSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356138 1282457639 /nfs/dbraw/zinc/45/76/39/1282457639.db2.gz TZWJPIYKDRTDIL-HIFPTAJRSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588356399 1282458638 /nfs/dbraw/zinc/45/86/38/1282458638.db2.gz XBFMWPOMAAFJEC-RHSMWYFYSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588357642 1282466584 /nfs/dbraw/zinc/46/65/84/1282466584.db2.gz ODYKFTWCVDTQMF-ITKZLYELSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588357642 1282466590 /nfs/dbraw/zinc/46/65/90/1282466590.db2.gz ODYKFTWCVDTQMF-ITKZLYELSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588358301 1282468454 /nfs/dbraw/zinc/46/84/54/1282468454.db2.gz QPHKALDRBZVHHT-ZDUSSCGKSA-N 0 1 357.418 0.291 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588358571 1282470628 /nfs/dbraw/zinc/47/06/28/1282470628.db2.gz SVHSOBNGHWTEFD-ZDUSSCGKSA-N 0 1 369.429 0.727 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359334 1282474653 /nfs/dbraw/zinc/47/46/53/1282474653.db2.gz LHGYFZDYMZFWJP-ZDUSSCGKSA-N 0 1 355.402 0.045 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001588360013 1282475984 /nfs/dbraw/zinc/47/59/84/1282475984.db2.gz FUGTVMMXFPFTSX-CQSZACIVSA-N 0 1 369.429 0.374 20 30 FCEDMN C#CCOCCC(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001588360655 1282477880 /nfs/dbraw/zinc/47/78/80/1282477880.db2.gz UHJYRKBDDPMYHZ-UHFFFAOYSA-N 0 1 369.429 0.374 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001588360463 1282478059 /nfs/dbraw/zinc/47/80/59/1282478059.db2.gz QJILOJURGRQORV-UONOGXRCSA-N 0 1 369.429 0.433 20 30 FCEDMN C#CCOc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001588362084 1282487257 /nfs/dbraw/zinc/48/72/57/1282487257.db2.gz SXTISXJYXSKVLO-NSHDSACASA-N 0 1 352.358 0.348 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588362696 1282487267 /nfs/dbraw/zinc/48/72/67/1282487267.db2.gz QHELWPPBSXZZCA-MRVPVSSYSA-N 0 1 369.838 0.933 20 30 FCEDMN C#Cc1ccccc1CC(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001588377448 1282496255 /nfs/dbraw/zinc/49/62/55/1282496255.db2.gz XGZOUYNVWUPOCG-CYBMUJFWSA-N 0 1 361.409 0.824 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403249 1282499239 /nfs/dbraw/zinc/49/92/39/1282499239.db2.gz XYKSTOWPGINSBW-VXGBXAGGSA-N 0 1 360.422 0.367 20 30 FCEDMN C=C(C)[C@H](CC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402766 1282499516 /nfs/dbraw/zinc/49/95/16/1282499516.db2.gz MSAHBERAXPOWEG-STQMWFEESA-N 0 1 374.449 0.969 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402765 1282500285 /nfs/dbraw/zinc/50/02/85/1282500285.db2.gz MSAHBERAXPOWEG-QWHCGFSZSA-N 0 1 374.449 0.969 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588483431 1282519481 /nfs/dbraw/zinc/51/94/81/1282519481.db2.gz JYZMZHJYEHKHKH-LBPRGKRZSA-N 0 1 359.434 0.483 20 30 FCEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588481738 1282520854 /nfs/dbraw/zinc/52/08/54/1282520854.db2.gz OBLCCQSNTJOAPZ-ZDUSSCGKSA-N 0 1 373.461 0.826 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588493665 1282523511 /nfs/dbraw/zinc/52/35/11/1282523511.db2.gz JVPOTZAEKHCZPR-PXAZEXFGSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588492148 1282524455 /nfs/dbraw/zinc/52/44/55/1282524455.db2.gz PAVIEIRNCFHULA-SJKOYZFVSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588498952 1282528591 /nfs/dbraw/zinc/52/85/91/1282528591.db2.gz FOSFPOKPIPFYPN-ACJLOTCBSA-N 0 1 371.445 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588500220 1282532244 /nfs/dbraw/zinc/53/22/44/1282532244.db2.gz SWGYPKVTYNJPKZ-QGZVFWFLSA-N 0 1 357.418 0.414 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503598 1282540135 /nfs/dbraw/zinc/54/01/35/1282540135.db2.gz ARQYFQOGFNODCD-OSJSJHBBSA-N 0 1 357.418 0.403 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588505690 1282547716 /nfs/dbraw/zinc/54/77/16/1282547716.db2.gz VFCCCJFUUSBHTN-QGZVFWFLSA-N 0 1 374.449 0.705 20 30 FCEDMN C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588519329 1282555776 /nfs/dbraw/zinc/55/57/76/1282555776.db2.gz XTMQQEOEKPXORR-CHWSQXEVSA-N 0 1 359.434 0.517 20 30 FCEDMN C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588519330 1282556989 /nfs/dbraw/zinc/55/69/89/1282556989.db2.gz XTMQQEOEKPXORR-OLZOCXBDSA-N 0 1 359.434 0.517 20 30 FCEDMN C=C[C@H](CC)CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588524799 1282558176 /nfs/dbraw/zinc/55/81/76/1282558176.db2.gz SWXSTMBZWKFKFC-PNESKVBLSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588531780 1282560613 /nfs/dbraw/zinc/56/06/13/1282560613.db2.gz IJQNIPCPCMCJTA-GFCCVEGCSA-N 0 1 359.434 0.517 20 30 FCEDMN C=CCCCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588586038 1282575661 /nfs/dbraw/zinc/57/56/61/1282575661.db2.gz CBSTWHPXDDMILP-KRWDZBQOSA-N 0 1 372.433 0.461 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001588590506 1282578631 /nfs/dbraw/zinc/57/86/31/1282578631.db2.gz PUPZIXUYLFKEJV-CVEARBPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588608561 1282584688 /nfs/dbraw/zinc/58/46/88/1282584688.db2.gz ODLCIYBVXHAMTN-LBPRGKRZSA-N 0 1 360.422 0.533 20 30 FCEDMN C=CCCOCC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001588616593 1282596573 /nfs/dbraw/zinc/59/65/73/1282596573.db2.gz JZAPCQCOVCFFMP-OKILXGFUSA-N 0 1 369.429 0.749 20 30 FCEDMN C=CCCOCC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588617722 1282599271 /nfs/dbraw/zinc/59/92/71/1282599271.db2.gz YKCDNQMZZUAXKP-UHFFFAOYSA-N 0 1 357.418 0.939 20 30 FCEDMN C=CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001588657478 1282608627 /nfs/dbraw/zinc/60/86/27/1282608627.db2.gz OCWILCOYBHXDQO-LBPRGKRZSA-N 0 1 374.449 0.279 20 30 FCEDMN C=CCOCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001588665171 1282617156 /nfs/dbraw/zinc/61/71/56/1282617156.db2.gz GZZCSHNYUYDONX-INIZCTEOSA-N 0 1 371.445 0.844 20 30 FCEDMN C=CCOCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588674337 1282630767 /nfs/dbraw/zinc/63/07/67/1282630767.db2.gz MSTAQOKWLSIDDH-UHFFFAOYSA-N 0 1 358.406 0.122 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(CC)CC(=C)C ZINC001588709132 1282658358 /nfs/dbraw/zinc/65/83/58/1282658358.db2.gz PDVBBQUTUVXVQJ-UHFFFAOYSA-N 0 1 355.410 0.686 20 30 FCEDMN C=CCn1ncc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc21 ZINC001588717036 1282660861 /nfs/dbraw/zinc/66/08/61/1282660861.db2.gz PSTANSOTOORBCD-UHFFFAOYSA-N 0 1 350.346 0.633 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588721766 1282669303 /nfs/dbraw/zinc/66/93/03/1282669303.db2.gz MNZVBURJDDDYKL-JMSVASOKSA-N 0 1 355.402 0.288 20 30 FCEDMN CC#CCCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588736923 1282680294 /nfs/dbraw/zinc/68/02/94/1282680294.db2.gz GHSIGALJCFJVPK-ZDUSSCGKSA-N 0 1 354.418 0.675 20 30 FCEDMN CC#CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588747798 1282688034 /nfs/dbraw/zinc/68/80/34/1282688034.db2.gz VVGQWCXKONLJJX-ZDUSSCGKSA-N 0 1 357.418 0.117 20 30 FCEDMN CC(=O)N(c1nc(Cn2cnc(-c3nn[nH]n3)c2C#N)cs1)C1CC1 ZINC001588805077 1282704414 /nfs/dbraw/zinc/70/44/14/1282704414.db2.gz XLNQZZAMXZFHCF-UHFFFAOYSA-N 0 1 355.387 0.955 20 30 FCEDMN CC(C)(C)C#CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589068634 1282791497 /nfs/dbraw/zinc/79/14/97/1282791497.db2.gz UVWORMFNOMSJAA-UHFFFAOYSA-N 0 1 354.418 0.791 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589384676 1282859321 /nfs/dbraw/zinc/85/93/21/1282859321.db2.gz NENYGWSDCOFLPN-ZIAGYGMSSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589384674 1282861298 /nfs/dbraw/zinc/86/12/98/1282861298.db2.gz NENYGWSDCOFLPN-KGLIPLIRSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589385279 1282862504 /nfs/dbraw/zinc/86/25/04/1282862504.db2.gz YPVSWDSIQVSCTH-UONOGXRCSA-N 0 1 366.429 0.743 20 30 FCEDMN C[C@@H](CCCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589813242 1283039738 /nfs/dbraw/zinc/03/97/38/1283039738.db2.gz GHAHPQBQCGQQPK-JTQLQIEISA-N 0 1 366.389 0.289 20 30 FCEDMN C[C@@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589813057 1283041021 /nfs/dbraw/zinc/04/10/21/1283041021.db2.gz DVQXMBCTRAJVFK-NSHDSACASA-N 0 1 365.401 0.894 20 30 FCEDMN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590264753 1283388805 /nfs/dbraw/zinc/38/88/05/1283388805.db2.gz BHKIHGJUKBPWED-TZMCWYRMSA-N 0 1 366.429 0.389 20 30 FCEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001590634656 1283673507 /nfs/dbraw/zinc/67/35/07/1283673507.db2.gz IOAHRHVFZULTGJ-UHFFFAOYSA-N 0 1 351.374 0.769 20 30 FCEDMN CCN(Cc1cccc(F)c1)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001590719952 1283749683 /nfs/dbraw/zinc/74/96/83/1283749683.db2.gz AHTAJBMCYQBNTI-UHFFFAOYSA-N 0 1 369.364 0.705 20 30 FCEDMN CCN(CCOC)c1cccc(Cn2cnc(-c3nn[nH]n3)c2C#N)n1 ZINC001590715662 1283750566 /nfs/dbraw/zinc/75/05/66/1283750566.db2.gz PNYNCWWAOHMZQV-UHFFFAOYSA-N 0 1 353.390 0.851 20 30 FCEDMN C[NH+](C)CC#CCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604677377 1287724329 /nfs/dbraw/zinc/72/43/29/1287724329.db2.gz LMKQDOCRHLSWQE-UHFFFAOYSA-N 0 1 353.308 0.575 20 30 FCEDMN Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)C#CC4CC4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592000605 1285052633 /nfs/dbraw/zinc/05/26/33/1285052633.db2.gz GIRRLPONQGZWQK-MKZZRHPPSA-N 0 1 363.425 0.782 20 30 FCEDMN Cc1cc(N[C@@H](CNC(=O)C#CC(C)C)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592033709 1285077854 /nfs/dbraw/zinc/07/78/54/1285077854.db2.gz FPBLOPBQCMHDIB-INIZCTEOSA-N 0 1 353.430 0.958 20 30 FCEDMN Cc1cc(NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592043977 1285082450 /nfs/dbraw/zinc/08/24/50/1285082450.db2.gz CUTZBFHPUAHGNW-AWEZNQCLSA-N 0 1 367.413 0.045 20 30 FCEDMN Cc1cc(NCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592045399 1285086568 /nfs/dbraw/zinc/08/65/68/1285086568.db2.gz CRIWIQKCAOEUML-YPMHNXCESA-N 0 1 354.418 0.802 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)o1 ZINC001592335981 1285245520 /nfs/dbraw/zinc/24/55/20/1285245520.db2.gz PJGRYIBCUGGMLK-GFCCVEGCSA-N 0 1 372.389 0.131 20 30 FCEDMN N#CC1(C[C@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CCC1 ZINC001592667965 1285565886 /nfs/dbraw/zinc/56/58/86/1285565886.db2.gz AUPYZDHLZYVRQO-HNNXBMFYSA-N 0 1 368.445 0.829 20 30 FCEDMN N#CCC[C@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001592675501 1285569632 /nfs/dbraw/zinc/56/96/32/1285569632.db2.gz VRKIQECVWWZTBS-ZDUSSCGKSA-N 0 1 366.389 0.802 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592678996 1285574040 /nfs/dbraw/zinc/57/40/40/1285574040.db2.gz CABSVGBPWACVFR-LLVKDONJSA-N 0 1 373.446 0.389 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001592690555 1285585206 /nfs/dbraw/zinc/58/52/06/1285585206.db2.gz FQSZQBNKOIEOCN-UHFFFAOYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001592697350 1285588444 /nfs/dbraw/zinc/58/84/44/1285588444.db2.gz GUWUBXLHRMRNQQ-ZDUSSCGKSA-N 0 1 364.373 0.317 20 30 FCEDMN N#Cc1cccc([C@H]2CN(Cn3cccc(-c4nn[nH]n4)c3=O)CCO2)c1 ZINC001592702526 1285591927 /nfs/dbraw/zinc/59/19/27/1285591927.db2.gz YKFIDRRZLCKZNH-MRXNPFEDSA-N 0 1 363.381 0.931 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592767900 1285691087 /nfs/dbraw/zinc/69/10/87/1285691087.db2.gz PZRKPRJLAPAJRV-HDJSIYSDSA-N 0 1 366.429 0.579 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001592767400 1285691254 /nfs/dbraw/zinc/69/12/54/1285691254.db2.gz ABHPMPPPCAGFRI-HZPDHXFCSA-N 0 1 351.414 0.936 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001592768113 1285692334 /nfs/dbraw/zinc/69/23/34/1285692334.db2.gz CVJVEWFQPYANDU-IRXDYDNUSA-N 0 1 366.425 0.332 20 30 FCEDMN O=C(C#CC1CC1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001592768708 1285692728 /nfs/dbraw/zinc/69/27/28/1285692728.db2.gz PAOYVLAYJMGLHT-UHFFFAOYSA-N 0 1 366.429 0.723 20 30 FCEDMN O=C(C#CC1CC1)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001592769588 1285694867 /nfs/dbraw/zinc/69/48/67/1285694867.db2.gz VQBDSPNQEAPBKE-UHFFFAOYSA-N 0 1 351.414 0.936 20 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C#CCO[C@@H](C)C(=O)NC1CCN(CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055612148 1219099296 /nfs/dbraw/zinc/09/92/96/1219099296.db2.gz VXLZXIRTQOHWKS-RZQQEMMASA-N 0 1 361.486 0.912 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001070071779 1219137798 /nfs/dbraw/zinc/13/77/98/1219137798.db2.gz KMNCFSMMXAJIBB-XYPHTWIQSA-N 0 1 353.430 0.171 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)[C@@H](n2ccnn2)C1 ZINC001070071779 1219137803 /nfs/dbraw/zinc/13/78/03/1219137803.db2.gz KMNCFSMMXAJIBB-XYPHTWIQSA-N 0 1 353.430 0.171 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070078018 1219146650 /nfs/dbraw/zinc/14/66/50/1219146650.db2.gz SFGGEJJSJAKUAB-OLZOCXBDSA-N 0 1 356.386 0.066 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2n2ccnn2)cn1 ZINC001070080517 1219149489 /nfs/dbraw/zinc/14/94/89/1219149489.db2.gz IWLNMCZHQRQHOO-XYPHTWIQSA-N 0 1 354.414 0.345 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H](n2ccnn2)C1 ZINC001070092481 1219161671 /nfs/dbraw/zinc/16/16/71/1219161671.db2.gz AQXXKAYMEIEZPE-CVEARBPZSA-N 0 1 352.402 0.781 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](n2ccnn2)C1 ZINC001070106920 1219181220 /nfs/dbraw/zinc/18/12/20/1219181220.db2.gz DHEVNTTZTKRWGQ-CABCVRRESA-N 0 1 355.402 0.003 20 30 FCEDMN N#Cc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2n2ccnn2)cc1 ZINC001070158552 1219245493 /nfs/dbraw/zinc/24/54/93/1219245493.db2.gz PJELNXXWULHTBI-KURKYZTESA-N 0 1 366.425 0.728 20 30 FCEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2n2ccnn2)C1=O ZINC001070166866 1219257444 /nfs/dbraw/zinc/25/74/44/1219257444.db2.gz HKEAACQAPZUFCE-QHKVPUKUSA-N 0 1 370.457 0.373 20 30 FCEDMN Cn1cc(CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2n2ccnn2)cn1 ZINC001070172407 1219263670 /nfs/dbraw/zinc/26/36/70/1219263670.db2.gz ZZSPDUBASYXRJM-CVEARBPZSA-N 0 1 365.401 0.067 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccco2)C[C@@H]1n1ccnn1 ZINC001070190813 1219282606 /nfs/dbraw/zinc/28/26/06/1219282606.db2.gz NPTKBWPHPBFYTI-CABCVRRESA-N 0 1 365.397 0.560 20 30 FCEDMN O=C(C#CC1CC1)N1C[C@@H](NCc2ccc(CO)cc2)[C@@H](n2ccnn2)C1 ZINC001070192854 1219284929 /nfs/dbraw/zinc/28/49/29/1219284929.db2.gz SRGNZDJMEIFNPX-MOPGFXCFSA-N 0 1 365.437 0.726 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C2(C(F)(F)F)CCOCC2)C[C@@H]1n1ccnn1 ZINC001070195855 1219287021 /nfs/dbraw/zinc/28/70/21/1219287021.db2.gz CAOSBRLFJWJZCO-OLZOCXBDSA-N 0 1 371.363 0.612 20 30 FCEDMN N#CCN[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccn2)C[C@@H]1n1ccnn1 ZINC001070206734 1219292843 /nfs/dbraw/zinc/29/28/43/1219292843.db2.gz QSDGKOWJBNALMA-CABCVRRESA-N 0 1 363.385 0.242 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070211536 1219295983 /nfs/dbraw/zinc/29/59/83/1219295983.db2.gz MTKLUBNNEPEKPG-LMMKCTJWSA-N 0 1 364.453 0.877 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@@H]1n1ccnn1 ZINC001070217769 1219300257 /nfs/dbraw/zinc/30/02/57/1219300257.db2.gz RHNHJDQHKSGYSO-ZBFHGGJFSA-N 0 1 353.430 0.490 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2c(OC)cccc2OC)C[C@@H]1n1ccnn1 ZINC001070227232 1219307172 /nfs/dbraw/zinc/30/71/72/1219307172.db2.gz STELNJBMSBRGDE-CVEARBPZSA-N 0 1 369.425 0.513 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1n1ccnn1 ZINC001070228262 1219307819 /nfs/dbraw/zinc/30/78/19/1219307819.db2.gz QJYUPUBWHWUOQM-VYDXJSESSA-N 0 1 371.828 0.910 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1n1ccnn1 ZINC001070246191 1219315827 /nfs/dbraw/zinc/31/58/27/1219315827.db2.gz JNEAYUUTGKVSQT-SJORKVTESA-N 0 1 351.410 0.430 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c(F)ccc(F)c2OC)C[C@@H]1n1ccnn1 ZINC001070248261 1219318589 /nfs/dbraw/zinc/31/85/89/1219318589.db2.gz RUFSUNNSEDAHOL-KGLIPLIRSA-N 0 1 361.352 0.853 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3cccnc32)C[C@@H]1n1ccnn1 ZINC001070258076 1219327551 /nfs/dbraw/zinc/32/75/51/1219327551.db2.gz DAYWGVNIKQYYFX-BBWFWOEESA-N 0 1 350.426 0.768 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@@H]1n1ccnn1 ZINC001070271186 1219339543 /nfs/dbraw/zinc/33/95/43/1219339543.db2.gz GNBAFPDGJJYCII-CVEARBPZSA-N 0 1 362.397 0.147 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070284160 1219348514 /nfs/dbraw/zinc/34/85/14/1219348514.db2.gz WPQSFQDLHRGFGD-OLZOCXBDSA-N 0 1 364.331 0.980 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc(N3CC=CC3)c2)C[C@@H]1n1ccnn1 ZINC001070286148 1219351387 /nfs/dbraw/zinc/35/13/87/1219351387.db2.gz ZUVTYZUJQUGGSO-MOPGFXCFSA-N 0 1 362.437 0.943 20 30 FCEDMN N#Cc1ccc(CN[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2n2ccnn2)cc1 ZINC001070297833 1219356531 /nfs/dbraw/zinc/35/65/31/1219356531.db2.gz VPOCCLYTMYPVDM-CABCVRRESA-N 0 1 363.385 0.123 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccccc2NC(=O)CC)C[C@@H]1n1ccnn1 ZINC001070302299 1219360923 /nfs/dbraw/zinc/36/09/23/1219360923.db2.gz KEBFMGMMBBAOEJ-SJORKVTESA-N 0 1 366.425 0.915 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2ccc(OC)cc2F)C[C@@H]1n1ccnn1 ZINC001070305084 1219363561 /nfs/dbraw/zinc/36/35/61/1219363561.db2.gz DCMLUNFHQKUILW-SJORKVTESA-N 0 1 357.389 0.643 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)o2)C[C@@H]1n1ccnn1 ZINC001070309153 1219367031 /nfs/dbraw/zinc/36/70/31/1219367031.db2.gz SHTCSZSCJUKERS-CABCVRRESA-N 0 1 365.397 0.560 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2cccc(NC(C)=O)c2)C[C@@H]1n1ccnn1 ZINC001070313567 1219370100 /nfs/dbraw/zinc/37/01/00/1219370100.db2.gz WHKIWGZOESWPIA-MSOLQXFVSA-N 0 1 366.425 0.454 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@@H]1n1ccnn1 ZINC001070318789 1219372934 /nfs/dbraw/zinc/37/29/34/1219372934.db2.gz IXGQOOMAWYEPOO-CABCVRRESA-N 0 1 354.414 0.749 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@@H]1n1ccnn1 ZINC001070325328 1219376020 /nfs/dbraw/zinc/37/60/20/1219376020.db2.gz CVPBAOQTEJAJOA-CABCVRRESA-N 0 1 355.398 0.340 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070337020 1219385117 /nfs/dbraw/zinc/38/51/17/1219385117.db2.gz IHNGOENPTCGKPQ-UAGQMJEPSA-N 0 1 364.409 0.379 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2cc3ccccc3n2C)C[C@@H]1n1ccnn1 ZINC001070336142 1219385475 /nfs/dbraw/zinc/38/54/75/1219385475.db2.gz UBHSTYIXUFUJFU-MJGOQNOKSA-N 0 1 362.437 0.987 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@@H]1n1ccnn1 ZINC001070339194 1219387179 /nfs/dbraw/zinc/38/71/79/1219387179.db2.gz KMNRSZRZKTYOTQ-KGLIPLIRSA-N 0 1 352.354 0.413 20 30 FCEDMN CO[C@H]1C[C@@H](c2nc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)n[nH]2)N(CC#N)C1 ZINC001070360064 1219395469 /nfs/dbraw/zinc/39/54/69/1219395469.db2.gz JDLDBGAJALVJSK-SMSYFYOWSA-N 0 1 374.445 0.521 20 30 FCEDMN CO[C@H]1C[C@@H](c2nnc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[nH]2)N(CC#N)C1 ZINC001070360064 1219395471 /nfs/dbraw/zinc/39/54/71/1219395471.db2.gz JDLDBGAJALVJSK-SMSYFYOWSA-N 0 1 374.445 0.521 20 30 FCEDMN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn(C)nc2C)CC1 ZINC001070366446 1219398326 /nfs/dbraw/zinc/39/83/26/1219398326.db2.gz FQAOHWWIVUQASS-AEFFLSMTSA-N 0 1 357.458 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C=CCCC(=O)N[C@@H](CO)CNC(=O)C1(Cc2c[nH]nn2)CCCCC1 ZINC001575086622 1271714739 /nfs/dbraw/zinc/71/47/39/1271714739.db2.gz YYKDDSUXTUAHOB-OAHLLOKOSA-N 0 1 363.462 0.857 20 30 FCEDMN C=CCCC(=O)N[C@@H](CO)CNC(=O)C1(Cc2cnn[nH]2)CCCCC1 ZINC001575086622 1271714745 /nfs/dbraw/zinc/71/47/45/1271714745.db2.gz YYKDDSUXTUAHOB-OAHLLOKOSA-N 0 1 363.462 0.857 20 30 FCEDMN C=CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCc3c[nH]nn3)C[C@H]2C)CCC1 ZINC001575085831 1271714842 /nfs/dbraw/zinc/71/48/42/1271714842.db2.gz QDCYYEYXNVXSIP-IIAWOOMASA-N 0 1 374.489 0.992 20 30 FCEDMN C=CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001575093382 1271716078 /nfs/dbraw/zinc/71/60/78/1271716078.db2.gz JESSTMLQZKUACY-MIGQKNRLSA-N 0 1 360.462 0.460 20 30 FCEDMN C=CCCCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001575093382 1271716099 /nfs/dbraw/zinc/71/60/99/1271716099.db2.gz JESSTMLQZKUACY-MIGQKNRLSA-N 0 1 360.462 0.460 20 30 FCEDMN C=CCCC(=O)NCCC1=CCN(C(=O)CC(=O)NCc2c[nH]nn2)CC1 ZINC001575087738 1271716818 /nfs/dbraw/zinc/71/68/18/1271716818.db2.gz LKBJXRPMZSOCLX-UHFFFAOYSA-N 0 1 374.445 0.442 20 30 FCEDMN C=CCNC(=O)CN1CCC(NC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001575103411 1271719739 /nfs/dbraw/zinc/71/97/39/1271719739.db2.gz BPAOCCOLFKKKDV-UHFFFAOYSA-N 0 1 369.429 0.363 20 30 FCEDMN C=CCNC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](C)C2CC2)CC1 ZINC001575103983 1271722064 /nfs/dbraw/zinc/72/20/64/1271722064.db2.gz LSGNNMRXBLDTBQ-AWEZNQCLSA-N 0 1 374.489 0.946 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCOCc1c[nH]nn1 ZINC001575111737 1271725389 /nfs/dbraw/zinc/72/53/89/1271725389.db2.gz KOODKXHBFGZUJC-ZNMIVQPWSA-N 0 1 363.418 0.020 20 30 FCEDMN CC#CCCCC(=O)NC1(C)CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001575116860 1271728949 /nfs/dbraw/zinc/72/89/49/1271728949.db2.gz AHGZWBZJYDSVKH-UHFFFAOYSA-N 0 1 360.462 0.585 20 30 FCEDMN C[C@@H](C#N)C(=O)NC1(CNC(=O)C2CCN(Cc3c[nH]nn3)CC2)CCC1 ZINC001575176125 1271763293 /nfs/dbraw/zinc/76/32/93/1271763293.db2.gz DRCSPKNDXKFRKO-ZDUSSCGKSA-N 0 1 373.461 0.331 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575178730 1271766873 /nfs/dbraw/zinc/76/68/73/1271766873.db2.gz QWDDLAICHGROLJ-TZMCWYRMSA-N 0 1 352.398 0.891 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575177906 1271768027 /nfs/dbraw/zinc/76/80/27/1271768027.db2.gz MWTPCBGBIRGZQK-CHWSQXEVSA-N 0 1 367.413 0.995 20 30 FCEDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@@H]3CNC[C@H]3C#N)C[C@@H]2C1 ZINC001575199700 1271782182 /nfs/dbraw/zinc/78/21/82/1271782182.db2.gz ZFJXEFXLSDAOBX-APIJFGDWSA-N 0 1 363.462 0.996 20 30 FCEDMN C[C@@H](C(=O)NCc1c[nH]nn1)N1CCC(N(C)C(=O)C#CC2CC2)CC1 ZINC001575219853 1271798619 /nfs/dbraw/zinc/79/86/19/1271798619.db2.gz AQBBHWZUTVJJQH-ZDUSSCGKSA-N 0 1 358.446 0.146 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575245138 1271851867 /nfs/dbraw/zinc/85/18/67/1271851867.db2.gz AQAJMALQGXNLTI-CYBMUJFWSA-N 0 1 370.413 0.123 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)CCOCc2c[nH]nn2)C1 ZINC001575251567 1271852700 /nfs/dbraw/zinc/85/27/00/1271852700.db2.gz DTEJKEIEPURBAF-OKILXGFUSA-N 0 1 361.446 0.772 20 30 FCEDMN CC(C)C#CC(=O)N(Cc1c[nH]nn1)C1CCN([C@@H]2CCNC2=O)CC1 ZINC001575317915 1271917501 /nfs/dbraw/zinc/91/75/01/1271917501.db2.gz CVOJVZVKKIVEGH-MRXNPFEDSA-N 0 1 358.446 0.146 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575318556 1271918395 /nfs/dbraw/zinc/91/83/95/1271918395.db2.gz LPSQAPGQRWNPEA-GOEBONIOSA-N 0 1 358.446 0.003 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H](C)C1CCN([C@@H](C)C(=O)NCc2cn[nH]n2)CC1 ZINC001575318428 1271918447 /nfs/dbraw/zinc/91/84/47/1271918447.db2.gz JLCKHAOXNQXCSJ-GJZGRUSLSA-N 0 1 374.489 0.686 20 30 FCEDMN C[C@@H](Oc1ccc(Oc2cnc(-c3nn[nH]n3)c(C#N)n2)cc1)C(N)=O ZINC001575494215 1272167914 /nfs/dbraw/zinc/16/79/14/1272167914.db2.gz QEWNHOCXGGJWRC-MRVPVSSYSA-N 0 1 352.314 0.573 20 30 FCEDMN C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575567199 1272202469 /nfs/dbraw/zinc/20/24/69/1272202469.db2.gz SAUSQKBGSFBPPW-NSHDSACASA-N 0 1 363.385 0.783 20 30 FCEDMN C[C@@H](CN(C)C(=O)c1cncc(-c2cn[nH]n2)c1)NC(=O)C#CC1CC1 ZINC001575565893 1272202603 /nfs/dbraw/zinc/20/26/03/1272202603.db2.gz YBXSJAAYCGOGSN-LBPRGKRZSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N(C)c1cncc(C#N)n1 ZINC001575589300 1272220526 /nfs/dbraw/zinc/22/05/26/1272220526.db2.gz IPRZVZIYMSMOCT-WFASDCNBSA-N 0 1 369.433 0.072 20 30 FCEDMN C[C@H](CNc1ccncc1C#N)N(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575620660 1272237412 /nfs/dbraw/zinc/23/74/12/1272237412.db2.gz SHHFPOJNTORKRZ-DYVFJYSZSA-N 0 1 368.445 0.417 20 30 FCEDMN C[C@@H](NC(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@H](C)NC(=O)C#CC1CC1 ZINC001575632965 1272242190 /nfs/dbraw/zinc/24/21/90/1272242190.db2.gz FYYMHGTUWRFASQ-UONOGXRCSA-N 0 1 372.473 0.440 20 30 FCEDMN C[C@@H](NC(=O)c1ccc(-c2c[nH]nn2)nc1)C1CN(C(=O)C#CC2CC2)C1 ZINC001575651558 1272258643 /nfs/dbraw/zinc/25/86/43/1272258643.db2.gz UJCSQHVIBWLQCL-GFCCVEGCSA-N 0 1 364.409 0.857 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H](CNc1ccc(C#N)nc1)C1CC1 ZINC001575840210 1272511658 /nfs/dbraw/zinc/51/16/58/1272511658.db2.gz MSXRWQAEXFGVJM-BDJLRTHQSA-N 0 1 355.402 0.983 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001575854579 1272529222 /nfs/dbraw/zinc/52/92/22/1272529222.db2.gz QEGBZFCVIGUFFO-NSHDSACASA-N 0 1 371.401 0.378 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1c2ccccc2CCN1CC#N ZINC001575864326 1272535962 /nfs/dbraw/zinc/53/59/62/1272535962.db2.gz VYGMAHSRGQECRE-DYVFJYSZSA-N 0 1 354.414 0.949 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCCCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575870206 1272538496 /nfs/dbraw/zinc/53/84/96/1272538496.db2.gz ZWZYFKCONNRYSH-NSHDSACASA-N 0 1 359.390 0.188 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001575888128 1272548505 /nfs/dbraw/zinc/54/85/05/1272548505.db2.gz OXDZJRFYEAPAPS-SRVKXCTJSA-N 0 1 356.390 0.378 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)CCCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036478 1272748395 /nfs/dbraw/zinc/74/83/95/1272748395.db2.gz BYSKTCBZYVFHSF-ABAIWWIYSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)CCCc2cnn[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036478 1272748399 /nfs/dbraw/zinc/74/83/99/1272748399.db2.gz BYSKTCBZYVFHSF-ABAIWWIYSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576038089 1272753214 /nfs/dbraw/zinc/75/32/14/1272753214.db2.gz HODFUONEMHLPKW-HIFRSBDPSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1CNc1cncc(C#N)n1 ZINC001576123855 1272916912 /nfs/dbraw/zinc/91/69/12/1272916912.db2.gz NBWTVDFILSXTMW-CHWSQXEVSA-N 0 1 370.417 0.580 20 30 FCEDMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001576361283 1273183288 /nfs/dbraw/zinc/18/32/88/1273183288.db2.gz SAOBWYCLJNCOTC-XQQFMLRXSA-N 0 1 369.433 0.606 20 30 FCEDMN CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576474415 1273310117 /nfs/dbraw/zinc/31/01/17/1273310117.db2.gz GNHUTCYBRLSMMW-DZGCQCFKSA-N 0 1 362.434 0.711 20 30 FCEDMN CCN(C(=O)CCOCc1c[nH]nn1)[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001576511010 1273385496 /nfs/dbraw/zinc/38/54/96/1273385496.db2.gz VBCWFSPEUPNPLY-CQSZACIVSA-N 0 1 370.417 0.500 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)CCN1c1ccc(C#N)nn1 ZINC001576610618 1273479658 /nfs/dbraw/zinc/47/96/58/1273479658.db2.gz MMHFFJJDGFSORW-BYCMXARLSA-N 0 1 370.417 0.545 20 30 FCEDMN CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@H](C)OCc3c[nH]nn3)C2)n1 ZINC001576656997 1273519943 /nfs/dbraw/zinc/51/99/43/1273519943.db2.gz LZLRMOQVEOIYGW-NWDGAFQWSA-N 0 1 370.417 0.329 20 30 FCEDMN CN(CCCNC(=O)CCOCc1c[nH]nn1)c1ncc(C#N)cc1F ZINC001576804318 1273712346 /nfs/dbraw/zinc/71/23/46/1273712346.db2.gz OJKXALVUWJORGC-UHFFFAOYSA-N 0 1 361.381 0.760 20 30 FCEDMN CNC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)C#CC(C)(C)C)CC1 ZINC001576900320 1273904266 /nfs/dbraw/zinc/90/42/66/1273904266.db2.gz VBYJKHZZAQORHV-UHFFFAOYSA-N 0 1 360.462 0.393 20 30 FCEDMN COCC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@H](C)COC)CC1 ZINC001576952717 1273973789 /nfs/dbraw/zinc/97/37/89/1273973789.db2.gz JUGGRIQFVOGIRR-OAHLLOKOSA-N 0 1 363.462 0.530 20 30 FCEDMN COCCC1(NC(=O)c2c[nH]c(C#N)c2)CCN(Cc2c[nH]nn2)CC1 ZINC001576988782 1274017408 /nfs/dbraw/zinc/01/74/08/1274017408.db2.gz UCPJENYRKWYXIS-UHFFFAOYSA-N 0 1 357.418 0.806 20 30 FCEDMN COCCN(Cc1ccn(Cc2cn[nH]n2)n1)C(=O)c1ccc(C#N)n1C ZINC001577001041 1274034679 /nfs/dbraw/zinc/03/46/79/1274034679.db2.gz IJHCEMNXMKSFTK-UHFFFAOYSA-N 0 1 368.401 0.548 20 30 FCEDMN Cc1cc(C#N)nc(N(C)CCNC(=O)c2cncc(-c3cn[nH]n3)c2)n1 ZINC001577256034 1274283629 /nfs/dbraw/zinc/28/36/29/1274283629.db2.gz DILUZUPAFGSRIF-UHFFFAOYSA-N 0 1 363.385 0.703 20 30 FCEDMN Cc1nc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)c(=O)[nH]c1C ZINC001577528157 1274473236 /nfs/dbraw/zinc/47/32/36/1274473236.db2.gz HBQWRUBNCSQGEG-UHFFFAOYSA-N 0 1 370.417 0.135 20 30 FCEDMN Cc1nc(N[C@@H]2CCN(C(=O)[C@H](C)OCc3c[nH]nn3)C2)ccc1C#N ZINC001577557548 1274500002 /nfs/dbraw/zinc/50/00/02/1274500002.db2.gz LCHXHALASIYHNZ-GXTWGEPZSA-N 0 1 355.402 0.998 20 30 FCEDMN N#Cc1ccc(C(=O)NCC=CCNC(=O)CCOCc2c[nH]nn2)[nH]1 ZINC001577712344 1274772333 /nfs/dbraw/zinc/77/23/33/1274772333.db2.gz JRZVEXGTHFFONJ-OWOJBTEDSA-N 0 1 357.374 0.014 20 30 FCEDMN N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)[nH]1 ZINC001577712272 1274773025 /nfs/dbraw/zinc/77/30/25/1274773025.db2.gz HKWXGPBCRKRTGC-OFSOMGBPSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1ccc(NC2(CNC(=O)CCOCc3c[nH]nn3)CCCC2)nn1 ZINC001577715093 1274774355 /nfs/dbraw/zinc/77/43/55/1274774355.db2.gz JGIRXCDKBZTGEU-UHFFFAOYSA-N 0 1 370.417 0.914 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@@H]2CC3(CN(Cc4c[nH]nn4)C3)n3ccnc32)c1 ZINC001577712528 1274775122 /nfs/dbraw/zinc/77/51/22/1274775122.db2.gz PYXCKNLMTVTTTO-CQSZACIVSA-N 0 1 363.385 0.287 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)cn1 ZINC001577714902 1274775355 /nfs/dbraw/zinc/77/53/55/1274775355.db2.gz AVRARBOQVSPWBH-PBHICJAKSA-N 0 1 366.429 0.431 20 30 FCEDMN N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CCOCc3c[nH]nn3)C2)nc1 ZINC001577718181 1274780255 /nfs/dbraw/zinc/78/02/55/1274780255.db2.gz YYYPSXZCJIKZOK-OKILXGFUSA-N 0 1 355.402 0.985 20 30 FCEDMN N#Cc1nccc(NC[C@H]2CCC[C@H]2NC(=O)CCCCc2cn[nH]n2)n1 ZINC001577718987 1274781537 /nfs/dbraw/zinc/78/15/37/1274781537.db2.gz DGRYLSUIHGBBPH-UKRRQHHQSA-N 0 1 368.445 0.998 20 30 FCEDMN N#Cc1cnc(NC[C@@H]2CN(C(=O)CCCc3c[nH]nn3)CCO2)cn1 ZINC001577719166 1274782559 /nfs/dbraw/zinc/78/25/59/1274782559.db2.gz LGCFOMUKNOGOJK-CQSZACIVSA-N 0 1 356.390 0.129 20 30 FCEDMN N#Cc1cnc(NC[C@@H]2CN(C(=O)CCCc3cnn[nH]3)CCO2)cn1 ZINC001577719166 1274782566 /nfs/dbraw/zinc/78/25/66/1274782566.db2.gz LGCFOMUKNOGOJK-CQSZACIVSA-N 0 1 356.390 0.129 20 30 FCEDMN N#Cc1cnccc1N1CCC[C@H](NC(=O)CCOCc2c[nH]nn2)C1 ZINC001577719609 1274784041 /nfs/dbraw/zinc/78/40/41/1274784041.db2.gz XCWSCVDGTSBYDA-AWEZNQCLSA-N 0 1 355.402 0.763 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOCc1c[nH]nn1)C2 ZINC001577745398 1274822177 /nfs/dbraw/zinc/82/21/77/1274822177.db2.gz FQBUTWOUJKQYCR-UXLLHSPISA-N 0 1 371.441 0.621 20 30 FCEDMN CC[NH+](CC)CCO[C@@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001577903357 1275111866 /nfs/dbraw/zinc/11/18/66/1275111866.db2.gz YLUBIBXOEYZVOH-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN CC[NH+](CC)CCO[C@@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001577903357 1275111873 /nfs/dbraw/zinc/11/18/73/1275111873.db2.gz YLUBIBXOEYZVOH-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577995364 1275245769 /nfs/dbraw/zinc/24/57/69/1275245769.db2.gz AVABQSFMVGBFOK-CQSZACIVSA-N 0 1 364.409 0.858 20 30 FCEDMN CCN(Cc1c(CO)cnc(C)c1O)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001578171318 1275467900 /nfs/dbraw/zinc/46/79/00/1275467900.db2.gz ZZRKMYSABKPVEK-UHFFFAOYSA-N 0 1 367.373 0.456 20 30 FCEDMN CN(CCOCCNC(=O)N[C@@H]1CNC[C@@H]1C#N)C(=O)OC(C)(C)C ZINC001578476868 1275891904 /nfs/dbraw/zinc/89/19/04/1275891904.db2.gz AOGVOYYXMJMIKQ-QWHCGFSZSA-N 0 1 355.439 0.281 20 30 FCEDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1cccc(C#N)c1 ZINC001579130348 1276818978 /nfs/dbraw/zinc/81/89/78/1276818978.db2.gz KUVPBUVOWQZWJG-CQSZACIVSA-N 0 1 367.417 0.642 20 30 FCEDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1cccc(C#N)c1 ZINC001579130348 1276818997 /nfs/dbraw/zinc/81/89/97/1276818997.db2.gz KUVPBUVOWQZWJG-CQSZACIVSA-N 0 1 367.417 0.642 20 30 FCEDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1cccc(C#N)c1 ZINC001579130348 1276819011 /nfs/dbraw/zinc/81/90/11/1276819011.db2.gz KUVPBUVOWQZWJG-CQSZACIVSA-N 0 1 367.417 0.642 20 30 FCEDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1cccc(C#N)c1 ZINC001579130348 1276819026 /nfs/dbraw/zinc/81/90/26/1276819026.db2.gz KUVPBUVOWQZWJG-CQSZACIVSA-N 0 1 367.417 0.642 20 30 FCEDMN CN(CCNCc1ccccc1C#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579206530 1276996071 /nfs/dbraw/zinc/99/60/71/1276996071.db2.gz HZEDAOARJNTVNG-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579279306 1277094413 /nfs/dbraw/zinc/09/44/13/1277094413.db2.gz ADMJQXJTFGJRLF-LBPRGKRZSA-N 0 1 364.373 0.207 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001579286391 1277107557 /nfs/dbraw/zinc/10/75/57/1277107557.db2.gz HLSNQZWOSWYSNW-MRVPVSSYSA-N 0 1 367.295 0.128 20 30 FCEDMN COC(=O)[C@]12CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C[C@H]1CCCC2 ZINC001579472788 1277378384 /nfs/dbraw/zinc/37/83/84/1277378384.db2.gz JHQPLFRUILTZEC-QLJPJBMISA-N 0 1 354.374 0.698 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001579617152 1277663011 /nfs/dbraw/zinc/66/30/11/1277663011.db2.gz AOEXUZAALJZSHM-HNNXBMFYSA-N 0 1 371.445 0.675 20 30 FCEDMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001579856113 1277938010 /nfs/dbraw/zinc/93/80/10/1277938010.db2.gz QQCRTRDYNZGNAJ-GAJTVXKRSA-N 0 1 356.390 0.050 20 30 FCEDMN Cc1cc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970422 1279171334 /nfs/dbraw/zinc/17/13/34/1279171334.db2.gz OUPLOTOASDEDLH-UHFFFAOYSA-N 0 1 363.385 0.732 20 30 FCEDMN Cc1cc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003952 1279221121 /nfs/dbraw/zinc/22/11/21/1279221121.db2.gz IJWSJKXISIOTQM-WFASDCNBSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1cc(N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581007037 1279225962 /nfs/dbraw/zinc/22/59/62/1279225962.db2.gz GAFWAJSLCARNQM-LBPRGKRZSA-N 0 1 363.385 0.518 20 30 FCEDMN Cc1cc(NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025901 1279257956 /nfs/dbraw/zinc/25/79/56/1279257956.db2.gz IOSVLYVKNHCXFQ-JTQLQIEISA-N 0 1 365.401 0.812 20 30 FCEDMN CC(C)N(CCCNC(=O)C#CC1CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001603321190 1287356169 /nfs/dbraw/zinc/35/61/69/1287356169.db2.gz XSIBPNDPNJEQIL-UHFFFAOYSA-N 0 1 354.418 0.791 20 30 FCEDMN N#Cc1ccccc1C(F)(F)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001581875528 1280629334 /nfs/dbraw/zinc/62/93/34/1280629334.db2.gz CDZLAJBKEKOISH-UHFFFAOYSA-N 0 1 359.300 0.238 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879645 1280637289 /nfs/dbraw/zinc/63/72/89/1280637289.db2.gz SEQQTEHDAJVSLA-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879645 1280637291 /nfs/dbraw/zinc/63/72/91/1280637291.db2.gz SEQQTEHDAJVSLA-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879645 1280637295 /nfs/dbraw/zinc/63/72/95/1280637295.db2.gz SEQQTEHDAJVSLA-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879645 1280637299 /nfs/dbraw/zinc/63/72/99/1280637299.db2.gz SEQQTEHDAJVSLA-FZMZJTMJSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@](C#N)(c3ccccn3)C2)nc1-c1nn[nH]n1 ZINC001581881855 1280642110 /nfs/dbraw/zinc/64/21/10/1280642110.db2.gz CLXXACSHOVJMTO-KRWDZBQOSA-N 0 1 358.369 0.985 20 30 FCEDMN N#Cc1ncc(NC[C@@H](O)COc2cccc(F)c2)nc1-c1nn[nH]n1 ZINC001581882561 1280645366 /nfs/dbraw/zinc/64/53/66/1280645366.db2.gz CWFZAQCEUWEWOT-SNVBAGLBSA-N 0 1 356.321 0.519 20 30 FCEDMN N#Cc1ncc(N2CCC([N@H+]3CCCOCC3)CC2)nc1-c1nnn[n-]1 ZINC001581882455 1280645564 /nfs/dbraw/zinc/64/55/64/1280645564.db2.gz ZGTDSXHKYKMLEY-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCC([N@@H+]3CCCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882455 1280645596 /nfs/dbraw/zinc/64/55/96/1280645596.db2.gz ZGTDSXHKYKMLEY-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCC([N@H+]3CCCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882455 1280645607 /nfs/dbraw/zinc/64/56/07/1280645607.db2.gz ZGTDSXHKYKMLEY-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN O=C(C#CC1CC1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001581912460 1280715203 /nfs/dbraw/zinc/71/52/03/1280715203.db2.gz NCJDQISLVUTQRY-KGLIPLIRSA-N 0 1 364.413 0.355 20 30 FCEDMN C[C@@H](c1ccccc1)N(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001603734048 1287482062 /nfs/dbraw/zinc/48/20/62/1287482062.db2.gz CGJPWMAGVINJGL-JTQLQIEISA-N 0 1 351.374 0.737 20 30 FCEDMN C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603921734 1287538377 /nfs/dbraw/zinc/53/83/77/1287538377.db2.gz UWWRYTVNZZTVKQ-AAEUAGOBSA-N 0 1 372.458 0.589 20 30 FCEDMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001586317576 1282292128 /nfs/dbraw/zinc/29/21/28/1282292128.db2.gz MGNKDLQEZHAEFL-CQSZACIVSA-N 0 1 367.409 0.553 20 30 FCEDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001586317576 1282292139 /nfs/dbraw/zinc/29/21/39/1282292139.db2.gz MGNKDLQEZHAEFL-CQSZACIVSA-N 0 1 367.409 0.553 20 30 FCEDMN C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC(=C)C ZINC001588326133 1282417792 /nfs/dbraw/zinc/41/77/92/1282417792.db2.gz FJDYMLBFKXRMIB-NSHDSACASA-N 0 1 353.394 0.132 20 30 FCEDMN C#C[C@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCOC1 ZINC001588326533 1282418521 /nfs/dbraw/zinc/41/85/21/1282418521.db2.gz OKUDESHSNOQAOJ-WDEREUQCSA-N 0 1 368.405 0.343 20 30 FCEDMN C#CCC1(C(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001588334981 1282426932 /nfs/dbraw/zinc/42/69/32/1282426932.db2.gz RTSBNOOYVFUPFE-UHFFFAOYSA-N 0 1 368.445 0.971 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588336578 1282429093 /nfs/dbraw/zinc/42/90/93/1282429093.db2.gz QLYWNNHXQHWSQI-HNNXBMFYSA-N 0 1 374.420 0.718 20 30 FCEDMN C#CCCCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588338136 1282430358 /nfs/dbraw/zinc/43/03/58/1282430358.db2.gz HIVDBRABUCKOHA-QMMMGPOBSA-N 0 1 369.838 0.669 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588341509 1282438341 /nfs/dbraw/zinc/43/83/41/1282438341.db2.gz JOYCYASGGYKUBW-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588341508 1282438392 /nfs/dbraw/zinc/43/83/92/1282438392.db2.gz JOYCYASGGYKUBW-KBPBESRZSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001588342914 1282438500 /nfs/dbraw/zinc/43/85/00/1282438500.db2.gz VNNKGYQQTMJEOL-IAGOWNOFSA-N 0 1 368.441 0.722 20 30 FCEDMN C#CCN(CC#CC)C(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588349618 1282444691 /nfs/dbraw/zinc/44/46/91/1282444691.db2.gz IJKZLBJZMKKTPR-UHFFFAOYSA-N 0 1 367.413 0.865 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356175 1282457712 /nfs/dbraw/zinc/45/77/12/1282457712.db2.gz AAFDAQFHPCQDCB-ZDUSSCGKSA-N 0 1 357.418 0.551 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001588356641 1282461589 /nfs/dbraw/zinc/46/15/89/1282461589.db2.gz YWBDBZRNSHRYTH-KGLIPLIRSA-N 0 1 371.445 0.665 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588356880 1282462494 /nfs/dbraw/zinc/46/24/94/1282462494.db2.gz HAEPCBKUDMDGJN-HSBZDZAISA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588357021 1282463162 /nfs/dbraw/zinc/46/31/62/1282463162.db2.gz IPDCVVQYVJPEAR-NZBPQXDJSA-N 0 1 367.413 0.098 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588358346 1282468384 /nfs/dbraw/zinc/46/83/84/1282468384.db2.gz QVZJSZHWZMADLA-UONOGXRCSA-N 0 1 369.429 0.585 20 30 FCEDMN C#CCOCCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359383 1282475048 /nfs/dbraw/zinc/47/50/48/1282475048.db2.gz MTJADOGUMQFOPS-GOSISDBHSA-N 0 1 369.429 0.695 20 30 FCEDMN C#CCOCCC(=O)N(CC)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588360430 1282477954 /nfs/dbraw/zinc/47/79/54/1282477954.db2.gz PLGUKLSAHCASOB-CYBMUJFWSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCOCCC(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588361051 1282481158 /nfs/dbraw/zinc/48/11/58/1282481158.db2.gz CKEXRVAGUQYBJD-CQSZACIVSA-N 0 1 369.429 0.634 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001588364469 1282490684 /nfs/dbraw/zinc/49/06/84/1282490684.db2.gz GLECMZNTGXCKLX-NWDGAFQWSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364491 1282491871 /nfs/dbraw/zinc/49/18/71/1282491871.db2.gz HERPAVOSNWMOIK-VXGBXAGGSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)c1 ZINC001588380792 1282495669 /nfs/dbraw/zinc/49/56/69/1282495669.db2.gz MFWBHXIJNJEDQG-LBPRGKRZSA-N 0 1 362.397 0.599 20 30 FCEDMN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001588403995 1282499793 /nfs/dbraw/zinc/49/97/93/1282499793.db2.gz BGKKHKFUMHCVTG-NHYWBVRUSA-N 0 1 372.433 0.071 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588410122 1282502126 /nfs/dbraw/zinc/50/21/26/1282502126.db2.gz MEGDYJMBSRRBTC-QWHCGFSZSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588468454 1282513100 /nfs/dbraw/zinc/51/31/00/1282513100.db2.gz SXVNWAINUREGIL-GFCCVEGCSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC(C)(C)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588477721 1282515621 /nfs/dbraw/zinc/51/56/21/1282515621.db2.gz DELZNIJKLMGBFQ-UHFFFAOYSA-N 0 1 371.449 0.107 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588482259 1282519335 /nfs/dbraw/zinc/51/93/35/1282519335.db2.gz TZABDHUVSCQHIT-NEPJUHHUSA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001588498528 1282527090 /nfs/dbraw/zinc/52/70/90/1282527090.db2.gz BBSSMIPAMWLZJY-SFHVURJKSA-N 0 1 371.445 0.661 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588499590 1282531723 /nfs/dbraw/zinc/53/17/23/1282531723.db2.gz KOOKVMQEGCVHLB-UGSOOPFHSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588501926 1282536769 /nfs/dbraw/zinc/53/67/69/1282536769.db2.gz PINIWBZIICAUDY-SCLBCKFNSA-N 0 1 371.445 0.804 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588501852 1282536901 /nfs/dbraw/zinc/53/69/01/1282536901.db2.gz OOUOJRXBUGIOQU-MZKGEVEHSA-N 0 1 371.445 0.578 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503489 1282539267 /nfs/dbraw/zinc/53/92/67/1282539267.db2.gz YZYJHJJVZQUEQP-SJCJKPOMSA-N 0 1 359.434 0.838 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588503420 1282541622 /nfs/dbraw/zinc/54/16/22/1282541622.db2.gz YIHDRJPRMPWHDK-MSOLQXFVSA-N 0 1 371.445 0.708 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588505670 1282548382 /nfs/dbraw/zinc/54/83/82/1282548382.db2.gz URGPIELSWWNXDN-XWCIJXRUSA-N 0 1 372.433 0.103 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588505689 1282549298 /nfs/dbraw/zinc/54/92/98/1282549298.db2.gz VFCCCJFUUSBHTN-KRWDZBQOSA-N 0 1 374.449 0.705 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588520778 1282554691 /nfs/dbraw/zinc/55/46/91/1282554691.db2.gz DZLQGWDZXGQYII-OLZOCXBDSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@H](CC)CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588520405 1282556499 /nfs/dbraw/zinc/55/64/99/1282556499.db2.gz AUFHSHYLSVFGNO-PNESKVBLSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC(C)(C)C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588533306 1282562250 /nfs/dbraw/zinc/56/22/50/1282562250.db2.gz URPLNKUEELHNCY-UHFFFAOYSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588571688 1282570074 /nfs/dbraw/zinc/57/00/74/1282570074.db2.gz ZLRNBCULLMQPLF-INIZCTEOSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCCOCC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616022 1282595942 /nfs/dbraw/zinc/59/59/42/1282595942.db2.gz RJVFGIGWBOOHSR-ZDUSSCGKSA-N 0 1 372.433 0.582 20 30 FCEDMN C=CCOCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588672650 1282627626 /nfs/dbraw/zinc/62/76/26/1282627626.db2.gz XTGJHOGGIBAKHE-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCOCC(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2 ZINC001588674383 1282631397 /nfs/dbraw/zinc/63/13/97/1282631397.db2.gz NEJARBRBLYICHY-UHFFFAOYSA-N 0 1 369.429 0.726 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588681402 1282642072 /nfs/dbraw/zinc/64/20/72/1282642072.db2.gz NFCUPIINPLTDOH-CYBMUJFWSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCOCCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682939 1282643732 /nfs/dbraw/zinc/64/37/32/1282643732.db2.gz UZFVZNPCIXQFAH-CYBMUJFWSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCOc1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001588689974 1282650549 /nfs/dbraw/zinc/65/05/49/1282650549.db2.gz QVRCADSYOSZRRJ-UHFFFAOYSA-N 0 1 369.389 0.522 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001588709336 1282656036 /nfs/dbraw/zinc/65/60/36/1282656036.db2.gz QWFMOAJGEQVJQU-GFCCVEGCSA-N 0 1 369.437 0.766 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CC(C)(C)C ZINC001588708985 1282656591 /nfs/dbraw/zinc/65/65/91/1282656591.db2.gz NCBZKLUAZLMDPF-UHFFFAOYSA-N 0 1 357.426 0.766 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCSC[C@@H]1C ZINC001588709774 1282656698 /nfs/dbraw/zinc/65/66/98/1282656698.db2.gz VWKGEEFIRPQPNI-JTQLQIEISA-N 0 1 373.450 0.226 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588737368 1282678259 /nfs/dbraw/zinc/67/82/59/1282678259.db2.gz LFJFGFSZXRJMPB-ZIAGYGMSSA-N 0 1 368.445 0.921 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588737360 1282678460 /nfs/dbraw/zinc/67/84/60/1282678460.db2.gz LFJFGFSZXRJMPB-KBPBESRZSA-N 0 1 368.445 0.921 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001588743810 1282682498 /nfs/dbraw/zinc/68/24/98/1282682498.db2.gz LYMUXLZZWORVRL-SJORKVTESA-N 0 1 368.441 0.722 20 30 FCEDMN CC#CCCCC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588740098 1282683852 /nfs/dbraw/zinc/68/38/52/1282683852.db2.gz GJLZKQFVNPRPCQ-CYBMUJFWSA-N 0 1 357.418 0.075 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)CCCCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588924593 1282727576 /nfs/dbraw/zinc/72/75/76/1282727576.db2.gz XMNXHVMTHFWZJK-LBPRGKRZSA-N 0 1 357.422 0.669 20 30 FCEDMN C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588935969 1282732107 /nfs/dbraw/zinc/73/21/07/1282732107.db2.gz BVGTZLJRXOUWRW-KOLCDFICSA-N 0 1 351.330 0.367 20 30 FCEDMN C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588965803 1282746656 /nfs/dbraw/zinc/74/66/56/1282746656.db2.gz LRBBJXPRXHMZDC-SNVBAGLBSA-N 0 1 351.374 0.942 20 30 FCEDMN C[C@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588970740 1282747743 /nfs/dbraw/zinc/74/77/43/1282747743.db2.gz OKEBJYKBZGBBEE-DIFFPNOSSA-N 0 1 363.385 0.587 20 30 FCEDMN C[C@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001589028690 1282777403 /nfs/dbraw/zinc/77/74/03/1282777403.db2.gz XVQQCSYRAAQWQG-SECBINFHSA-N 0 1 367.329 0.073 20 30 FCEDMN CC(C)C#CC(=O)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001589379960 1282855529 /nfs/dbraw/zinc/85/55/29/1282855529.db2.gz HHKTTYUQVKERQM-UHFFFAOYSA-N 0 1 356.434 0.989 20 30 FCEDMN CC(C)C#CC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001589387282 1282865159 /nfs/dbraw/zinc/86/51/59/1282865159.db2.gz JIFKHINOFYRLBK-UHFFFAOYSA-N 0 1 369.429 0.369 20 30 FCEDMN CC(C)C#CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001589388430 1282866208 /nfs/dbraw/zinc/86/62/08/1282866208.db2.gz XDJAEVSXIDSABJ-UHFFFAOYSA-N 0 1 369.429 0.420 20 30 FCEDMN C[C@H](CCCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589813243 1283041294 /nfs/dbraw/zinc/04/12/94/1283041294.db2.gz GHAHPQBQCGQQPK-SNVBAGLBSA-N 0 1 366.389 0.289 20 30 FCEDMN C[C@H](CNC(=O)CC#Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589853915 1283088601 /nfs/dbraw/zinc/08/86/01/1283088601.db2.gz HRVHPROKPJYIGQ-CYBMUJFWSA-N 0 1 362.397 0.437 20 30 FCEDMN C[C@H](Cn1ncc2ccccc2c1=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001589906212 1283117443 /nfs/dbraw/zinc/11/74/43/1283117443.db2.gz PCOAUQAXKKQSOK-SNVBAGLBSA-N 0 1 374.368 0.739 20 30 FCEDMN CC1(NC(=O)CSCC#N)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001590143028 1283240590 /nfs/dbraw/zinc/24/05/90/1283240590.db2.gz LOAMSARWCWEVIU-UHFFFAOYSA-N 0 1 373.446 0.389 20 30 FCEDMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C#CC1CC1 ZINC001590210329 1283336854 /nfs/dbraw/zinc/33/68/54/1283336854.db2.gz SOBWOQHBFSICAM-TZMCWYRMSA-N 0 1 351.414 0.888 20 30 FCEDMN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001590266099 1283389610 /nfs/dbraw/zinc/38/96/10/1283389610.db2.gz KNAJWIINPULLAJ-ZFWWWQNUSA-N 0 1 365.441 0.994 20 30 FCEDMN C[C@@H]1CN(C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C[C@H](C)N1CC#N ZINC001590305950 1283450363 /nfs/dbraw/zinc/45/03/63/1283450363.db2.gz UUYVXIYJCJVURI-QLFBSQMISA-N 0 1 371.445 0.525 20 30 FCEDMN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001682704142 1283758583 /nfs/dbraw/zinc/75/85/83/1283758583.db2.gz GFBYLPCSGPNOQW-NSHDSACASA-N 0 1 367.417 0.764 20 30 FCEDMN CCO[C@H](CNc1ccncc1C#N)CNc1ccncc1-c1nn[nH]n1 ZINC001590786203 1283844460 /nfs/dbraw/zinc/84/44/60/1283844460.db2.gz VHWYKZFUFSVATJ-CYBMUJFWSA-N 0 1 365.401 0.301 20 30 FCEDMN CN(C(=O)C#CC(C)(C)C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590972381 1284034378 /nfs/dbraw/zinc/03/43/78/1284034378.db2.gz SOFWBQBGZDSVEY-UHFFFAOYSA-N 0 1 354.418 0.529 20 30 FCEDMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C#CC(C)(C)C ZINC001591068814 1284127675 /nfs/dbraw/zinc/12/76/75/1284127675.db2.gz UUBGYFCMCOJKCP-UHFFFAOYSA-N 0 1 356.434 0.991 20 30 FCEDMN COCC#CCN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001591363001 1284498945 /nfs/dbraw/zinc/49/89/45/1284498945.db2.gz YPTBLXJZKXPCRJ-GXTWGEPZSA-N 0 1 357.418 0.427 20 30 FCEDMN Cc1cc(N[C@@H](CNC(=O)CSCC#N)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592035659 1285082037 /nfs/dbraw/zinc/08/20/37/1285082037.db2.gz KOSUHKSKLLHFMJ-AWEZNQCLSA-N 0 1 372.458 0.556 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](CNC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055330 1285096629 /nfs/dbraw/zinc/09/66/29/1285096629.db2.gz LVJICCXXFSXHIX-HDJSIYSDSA-N 0 1 351.414 0.712 20 30 FCEDMN Cc1ccc(C(=O)C=CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001592115430 1285147820 /nfs/dbraw/zinc/14/78/20/1285147820.db2.gz HNTCCDOBFONQNL-SREVYHEPSA-N 0 1 352.358 0.322 20 30 FCEDMN N#CC1(C[C@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC1 ZINC001592669626 1285565511 /nfs/dbraw/zinc/56/55/11/1285565511.db2.gz YRAHDYGAASJQGE-AWEZNQCLSA-N 0 1 354.418 0.438 20 30 FCEDMN N#C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CCN1C1CC1 ZINC001592671303 1285566624 /nfs/dbraw/zinc/56/66/24/1285566624.db2.gz CNDBNHPCNPJBHQ-JTQLQIEISA-N 0 1 365.444 0.289 20 30 FCEDMN N#CCSCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592681421 1285580539 /nfs/dbraw/zinc/58/05/39/1285580539.db2.gz AZILVWRBNPZCKP-MGCOHNPYSA-N 0 1 363.472 0.922 20 30 FCEDMN N#CCSCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001592681421 1285580546 /nfs/dbraw/zinc/58/05/46/1285580546.db2.gz AZILVWRBNPZCKP-MGCOHNPYSA-N 0 1 363.472 0.922 20 30 FCEDMN N#CCSc1ccccc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001592682356 1285581060 /nfs/dbraw/zinc/58/10/60/1285581060.db2.gz WQVRGXWGCWCIEL-UHFFFAOYSA-N 0 1 355.387 0.504 20 30 FCEDMN N#Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cc1 ZINC001592693244 1285585768 /nfs/dbraw/zinc/58/57/68/1285585768.db2.gz OCXFAUDXTWLXHD-UHFFFAOYSA-N 0 1 353.302 0.159 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)cn2)c1-c1nnn[n-]1 ZINC001609289816 1289057936 /nfs/dbraw/zinc/05/79/36/1289057936.db2.gz DTPXVAWUOPFLKF-UHFFFAOYSA-N 0 1 352.362 0.261 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)cn2)c1-c1nn[n-]n1 ZINC001609289816 1289057943 /nfs/dbraw/zinc/05/79/43/1289057943.db2.gz DTPXVAWUOPFLKF-UHFFFAOYSA-N 0 1 352.362 0.261 20 30 FCEDMN N#CCc1cccc(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001601077972 1286628810 /nfs/dbraw/zinc/62/88/10/1286628810.db2.gz LOFDTGYZJVFLKL-QGZVFWFLSA-N 0 1 359.386 0.541 20 30 FCEDMN N#Cc1nc(C(=O)[O-])ccc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001601132718 1286642700 /nfs/dbraw/zinc/64/27/00/1286642700.db2.gz BOMPXXUEFIYRBT-UHFFFAOYSA-N 0 1 357.414 0.786 20 30 FCEDMN N#Cc1nc(C(=O)[O-])ccc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001601132718 1286642711 /nfs/dbraw/zinc/64/27/11/1286642711.db2.gz BOMPXXUEFIYRBT-UHFFFAOYSA-N 0 1 357.414 0.786 20 30 FCEDMN N#Cc1nc(C(=O)[O-])ccc1N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001601133259 1286642980 /nfs/dbraw/zinc/64/29/80/1286642980.db2.gz MMGWJNOXKQYEBB-UHFFFAOYSA-N 0 1 353.386 0.730 20 30 FCEDMN O=C([O-])[C@@]1(O)CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001601304886 1286717462 /nfs/dbraw/zinc/71/74/62/1286717462.db2.gz XHAZTAHFDIOBJP-MRXNPFEDSA-N 0 1 370.327 0.695 20 30 FCEDMN C#CCCCC(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602703366 1287064605 /nfs/dbraw/zinc/06/46/05/1287064605.db2.gz OVWPMBGWHMZUGG-CYBMUJFWSA-N 0 1 354.418 0.531 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602724179 1287081141 /nfs/dbraw/zinc/08/11/41/1287081141.db2.gz BNZGNLODDFXQDJ-BLLLJJGKSA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602725540 1287083392 /nfs/dbraw/zinc/08/33/92/1287083392.db2.gz KUXJUJUVQQIQCG-PNESKVBLSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602725642 1287083798 /nfs/dbraw/zinc/08/37/98/1287083798.db2.gz LNSDFSUUBNKCSL-OLZOCXBDSA-N 0 1 355.402 0.125 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001602726483 1287088989 /nfs/dbraw/zinc/08/89/89/1287088989.db2.gz RKANVZIZIRCTGQ-MBNYWOFBSA-N 0 1 374.470 0.903 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001602726483 1287089001 /nfs/dbraw/zinc/08/90/01/1287089001.db2.gz RKANVZIZIRCTGQ-MBNYWOFBSA-N 0 1 374.470 0.903 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001602727202 1287092115 /nfs/dbraw/zinc/09/21/15/1287092115.db2.gz WUCKAIVUELNOTA-ZDUSSCGKSA-N 0 1 372.433 0.368 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001602727746 1287094147 /nfs/dbraw/zinc/09/41/47/1287094147.db2.gz ZVAFKHKURHNMKH-RYUDHWBXSA-N 0 1 372.433 0.060 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001602737456 1287099682 /nfs/dbraw/zinc/09/96/82/1287099682.db2.gz RZFIKFRYNKIEKB-GHMZBOCLSA-N 0 1 363.385 0.074 20 30 FCEDMN C#Cc1cncc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1 ZINC001602742650 1287102650 /nfs/dbraw/zinc/10/26/50/1287102650.db2.gz IEYHIIIYYBUMIM-UHFFFAOYSA-N 0 1 374.408 0.909 20 30 FCEDMN C=C1CCC(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001602776083 1287111073 /nfs/dbraw/zinc/11/10/73/1287111073.db2.gz VYOKLFVNWFWHDA-AWEZNQCLSA-N 0 1 371.445 0.627 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602792680 1287116950 /nfs/dbraw/zinc/11/69/50/1287116950.db2.gz HPFBOIFXKCKFRY-SJCJKPOMSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602792474 1287117194 /nfs/dbraw/zinc/11/71/94/1287117194.db2.gz GGGIHGIKHFSKOS-QGZVFWFLSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001602795584 1287120488 /nfs/dbraw/zinc/12/04/88/1287120488.db2.gz UDTIIPZYQXYFOO-ZKAWZIJESA-N 0 1 354.418 0.810 20 30 FCEDMN C=CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602823290 1287124515 /nfs/dbraw/zinc/12/45/15/1287124515.db2.gz ARMLIVQVUVJZRR-NEPJUHHUSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001602832274 1287129040 /nfs/dbraw/zinc/12/90/40/1287129040.db2.gz NYLPPGWBHYKHOP-UHFFFAOYSA-N 0 1 372.433 0.512 20 30 FCEDMN C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CN(S(C)(=O)=O)C1 ZINC001602858719 1287137763 /nfs/dbraw/zinc/13/77/63/1287137763.db2.gz YUIQFJPTKGRVOG-UHFFFAOYSA-N 0 1 362.459 0.746 20 30 FCEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCN[C@H](C)C1 ZINC001602853562 1287137881 /nfs/dbraw/zinc/13/78/81/1287137881.db2.gz DNPYDGMSKHVJBP-CYBMUJFWSA-N 0 1 369.429 0.202 20 30 FCEDMN C=CCOCC(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602867820 1287142444 /nfs/dbraw/zinc/14/24/44/1287142444.db2.gz AAUPBYGDZXTMBS-ZDUSSCGKSA-N 0 1 357.418 0.797 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001602867884 1287142756 /nfs/dbraw/zinc/14/27/56/1287142756.db2.gz BHDJFMPYBNMMQO-NWDGAFQWSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CCOCCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602869952 1287144732 /nfs/dbraw/zinc/14/47/32/1287144732.db2.gz GHLUPGFAZNADST-JOCQHMNTSA-N 0 1 357.418 0.726 20 30 FCEDMN C=CCc1cc(C[NH2+]CCn2cnc(-c3nn[n-]n3)n2)cc(OC)c1O ZINC001602875487 1287146006 /nfs/dbraw/zinc/14/60/06/1287146006.db2.gz GHSSPGKLMHZROE-UHFFFAOYSA-N 0 1 356.390 0.691 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001602879150 1287146996 /nfs/dbraw/zinc/14/69/96/1287146996.db2.gz MMVIASLWYPJDPT-GFCCVEGCSA-N 0 1 370.421 0.896 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602891453 1287149835 /nfs/dbraw/zinc/14/98/35/1287149835.db2.gz DMFSQNQGSXXJEX-CYBMUJFWSA-N 0 1 370.417 0.172 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001602981219 1287171046 /nfs/dbraw/zinc/17/10/46/1287171046.db2.gz BORNOFQHZZCLEE-FXQIFTODSA-N 0 1 364.822 0.926 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602984317 1287173837 /nfs/dbraw/zinc/17/38/37/1287173837.db2.gz WRNBAOKMROOBDM-BZNIZROVSA-N 0 1 355.406 0.539 20 30 FCEDMN C[C@H](C(=O)OC[C@H](C#N)Cc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001603032336 1287193112 /nfs/dbraw/zinc/19/31/12/1287193112.db2.gz PUWRQIOXKKOTOX-YPMHNXCESA-N 0 1 352.358 0.945 20 30 FCEDMN C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)n1cnc(-c2nn[nH]n2)n1 ZINC001603033275 1287193624 /nfs/dbraw/zinc/19/36/24/1287193624.db2.gz WNEAUMMSOVLFFZ-MRVPVSSYSA-N 0 1 355.366 0.481 20 30 FCEDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001609428361 1289147321 /nfs/dbraw/zinc/14/73/21/1289147321.db2.gz YOMZCNIHGKQYQD-UHFFFAOYSA-N 0 1 353.302 0.790 20 30 FCEDMN Cc1cc(NCCCN(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605733647 1288064993 /nfs/dbraw/zinc/06/49/93/1288064993.db2.gz IOBKVFPXXSCNKA-UHFFFAOYSA-N 0 1 365.401 0.766 20 30 FCEDMN CCc1ccc(C#CC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001605804681 1288092020 /nfs/dbraw/zinc/09/20/20/1288092020.db2.gz RIVNNUFICFYBPX-HXUWFJFHSA-N 0 1 356.422 0.988 20 30 FCEDMN N#Cc1cc(NCCn2cnc(-c3nn[nH]n3)n2)ncc1Br ZINC001606361721 1288273679 /nfs/dbraw/zinc/27/36/79/1288273679.db2.gz YKRIUKWNSHQBCA-UHFFFAOYSA-N 0 1 361.167 0.599 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)C2=O)cc1 ZINC001608206813 1288789893 /nfs/dbraw/zinc/78/98/93/1288789893.db2.gz ITQFINYHDJEHFI-GDBMZVCRSA-N 0 1 366.381 0.900 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)C2=O)cc1 ZINC001608206813 1288789895 /nfs/dbraw/zinc/78/98/95/1288789895.db2.gz ITQFINYHDJEHFI-GDBMZVCRSA-N 0 1 366.381 0.900 20 30 FCEDMN C=CCCCNC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001609055108 1288890428 /nfs/dbraw/zinc/89/04/28/1288890428.db2.gz QKHHIQKUOPZILD-UHFFFAOYSA-N 0 1 367.373 0.468 20 30 FCEDMN CC#CC[C@@H](CO)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609059622 1288892946 /nfs/dbraw/zinc/89/29/46/1288892946.db2.gz AWBHADIALRTUSX-VIFPVBQESA-N 0 1 357.342 0.198 20 30 FCEDMN CCO[C@@H]1CN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C[C@H]1CNCC#N ZINC001692028489 1289370025 /nfs/dbraw/zinc/37/00/25/1289370025.db2.gz VUBLLXFPZZIJGH-KBRIMQKVSA-N 0 1 360.462 0.767 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2C1 ZINC001692056487 1289379659 /nfs/dbraw/zinc/37/96/59/1289379659.db2.gz CMLZVGLBXHJMJH-NXHRZFHOSA-N 0 1 361.486 0.721 20 30 FCEDMN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001692064650 1289384109 /nfs/dbraw/zinc/38/41/09/1289384109.db2.gz 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30 FCEDMN C=C(Br)CNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001225433213 857040455 /nfs/dbraw/zinc/04/04/55/857040455.db2.gz UDPPPYHSOKANBT-UHFFFAOYSA-N 0 1 352.214 0.057 20 30 FCEDMN C=CCOC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001238667824 857477451 /nfs/dbraw/zinc/47/74/51/857477451.db2.gz PMBJGAPDAIFKOT-AWEZNQCLSA-N 0 1 370.427 0.890 20 30 FCEDMN C=CCOC[C@@H](O)CN1CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001252460147 857810676 /nfs/dbraw/zinc/81/06/76/857810676.db2.gz BLRSTCBXNRSDQV-CVEARBPZSA-N 0 1 355.479 0.787 20 30 FCEDMN C=CCOC[C@@H](O)CN1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001252464208 857812180 /nfs/dbraw/zinc/81/21/80/857812180.db2.gz WEMOPYZFWITWEC-SDADXPQNSA-N 0 1 367.471 0.668 20 30 FCEDMN C=CCOC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001252473250 857816254 /nfs/dbraw/zinc/81/62/54/857816254.db2.gz JKLSWRUNPGTRBN-OLZOCXBDSA-N 0 1 374.484 0.581 20 30 FCEDMN C=CCOC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001252473250 857816265 /nfs/dbraw/zinc/81/62/65/857816265.db2.gz JKLSWRUNPGTRBN-OLZOCXBDSA-N 0 1 374.484 0.581 20 30 FCEDMN COC(=O)CS(=O)(=O)[N-]C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001259031428 858234311 /nfs/dbraw/zinc/23/43/11/858234311.db2.gz NDFXIWZQKTVSFY-UHFFFAOYSA-N 0 1 351.428 0.637 20 30 FCEDMN CN1CCN(c2ccc(NS(=O)(=O)CS(C)(=O)=O)cc2C#N)CC1 ZINC001260590955 858393142 /nfs/dbraw/zinc/39/31/42/858393142.db2.gz UHSRLELEMAXVRT-UHFFFAOYSA-N 0 1 372.472 0.054 20 30 FCEDMN N#C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1Br)C(N)=O ZINC001260911965 858430700 /nfs/dbraw/zinc/43/07/00/858430700.db2.gz PWRORSWNPMMQFV-SSDOTTSWSA-N 0 1 354.132 0.383 20 30 FCEDMN C#CCN1CCC(c2nnc(N(C)CCS(C)(=O)=O)n2CC)CC1 ZINC001263028918 859082690 /nfs/dbraw/zinc/08/26/90/859082690.db2.gz SQQUGQSYRBGQOG-UHFFFAOYSA-N 0 1 353.492 0.591 20 30 FCEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001263293656 859147935 /nfs/dbraw/zinc/14/79/35/859147935.db2.gz UOZNKIUYCZLBIN-ZIAGYGMSSA-N 0 1 370.471 0.841 20 30 FCEDMN C[C@H]1CN(C(=O)c2[nH]nc3c2CN(C(=O)CCS)CC3)C[C@H](C)O1 ZINC001269883930 859591143 /nfs/dbraw/zinc/59/11/43/859591143.db2.gz YEUUWTFGYMIRCN-QWRGUYRKSA-N 0 1 352.460 0.864 20 30 FCEDMN C=CCOCCC(=O)N1CCc2n[nH]c(C(=O)N(C)CCOC)c2C1 ZINC001270647546 859810555 /nfs/dbraw/zinc/81/05/55/859810555.db2.gz GINOGUDOUFJJMS-UHFFFAOYSA-N 0 1 350.419 0.606 20 30 FCEDMN C=CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCc4[nH]cnc4C3)C[C@@]2(F)C1=O ZINC001271971280 860052479 /nfs/dbraw/zinc/05/24/79/860052479.db2.gz SGTYBAGIACXYGC-SSKCKEOISA-N 0 1 350.369 0.802 20 30 FCEDMN C#CCN1CC2(CCC1=O)CCN(C(=O)CNC(=O)C(F)(F)F)CC2 ZINC001272818367 860270683 /nfs/dbraw/zinc/27/06/83/860270683.db2.gz WFUWRHPZIZQNEB-UHFFFAOYSA-N 0 1 359.348 0.529 20 30 FCEDMN C#CCN1C[C@@]2(F)CN(C(=O)c3nc(SC)ncc3O)C[C@@]2(F)C1=O ZINC001274433800 860751529 /nfs/dbraw/zinc/75/15/29/860751529.db2.gz YTTXIBKEXVOAPQ-HUUCEWRRSA-N 0 1 368.365 0.252 20 30 FCEDMN C=CCN1CC[C@@]2(CCN(C(=O)c3n[nH]c(Br)n3)C2)C1=O ZINC001274796869 860832579 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FCEDMN N#Cc1ccc(S(=O)(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)c(F)c1 ZINC001309773595 866889846 /nfs/dbraw/zinc/88/98/46/866889846.db2.gz HFDASRHQJIOREI-SNVBAGLBSA-N 0 1 351.363 0.798 20 30 FCEDMN C#CCSCCn1nnnc1N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001352340078 867102827 /nfs/dbraw/zinc/10/28/27/867102827.db2.gz QMVGJGGTCLDQBK-LBPRGKRZSA-N 0 1 362.381 0.687 20 30 FCEDMN CC(C)(C)N1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001313003657 867223129 /nfs/dbraw/zinc/22/31/29/867223129.db2.gz RTGHLHSDBPMSRK-ZENOOKHLSA-N 0 1 354.476 0.439 20 30 FCEDMN C=C(Br)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1cnnn1 ZINC001316696519 867405954 /nfs/dbraw/zinc/40/59/54/867405954.db2.gz PKJFWBSBULYVKD-PWSUYJOCSA-N 0 1 357.256 0.798 20 30 FCEDMN C=C(C)Cn1c(C2=NO[C@H](CO)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001356500168 868016141 /nfs/dbraw/zinc/01/61/41/868016141.db2.gz YYVPPLSINXKRLL-FPMFFAJLSA-N 0 1 351.407 0.190 20 30 FCEDMN Cc1nc(C(=O)N2CCSC[C@H]2C#N)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001320057166 868071463 /nfs/dbraw/zinc/07/14/63/868071463.db2.gz BOCHOLVMZDAHPG-SSDOTTSWSA-N 0 1 372.336 0.794 20 30 FCEDMN C[C@@]1(CC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)CC1(Cl)Cl ZINC001357510114 868128829 /nfs/dbraw/zinc/12/88/29/868128829.db2.gz YWHOQKAQCAYQIV-JOYOIKCWSA-N 0 1 367.254 0.926 20 30 FCEDMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC001321809370 868622148 /nfs/dbraw/zinc/62/21/48/868622148.db2.gz LZZPCHWUAWTJIT-UHFFFAOYSA-N 0 1 370.412 0.620 20 30 FCEDMN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001323112829 869060586 /nfs/dbraw/zinc/06/05/86/869060586.db2.gz NJIFLXKDEQDTFU-GJZGRUSLSA-N 0 1 364.471 0.998 20 30 FCEDMN C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001325803347 870041253 /nfs/dbraw/zinc/04/12/53/870041253.db2.gz GKFUXVBFCJUJEX-PBHICJAKSA-N 0 1 373.519 0.330 20 30 FCEDMN N#CCCCNC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC001346824843 872021024 /nfs/dbraw/zinc/02/10/24/872021024.db2.gz LKVANIODLPPCJR-UHFFFAOYSA-N 0 1 350.463 0.805 20 30 FCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001329512267 872081190 /nfs/dbraw/zinc/08/11/90/872081190.db2.gz VLGIQMCTVFEUAX-LDYMZIIASA-N 0 1 362.191 0.266 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573285436 946777532 /nfs/dbraw/zinc/77/75/32/946777532.db2.gz IBXDNUNFFXVWMC-KPZWWZAWSA-N 0 1 369.429 0.419 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573285556 946783498 /nfs/dbraw/zinc/78/34/98/946783498.db2.gz IUILOHGEDWYYPN-QWHCGFSZSA-N 0 1 357.418 0.549 20 30 FCEDMN C#CCn1ccc(CN(CCOC)c2cnc(C#N)c(-c3nn[nH]n3)n2)n1 ZINC001573289800 946891139 /nfs/dbraw/zinc/89/11/39/946891139.db2.gz QFAUEXFFPXJWAB-UHFFFAOYSA-N 0 1 364.373 0.011 20 30 FCEDMN CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573560501 946953020 /nfs/dbraw/zinc/95/30/20/946953020.db2.gz CVRQIANTNROPAN-NWDGAFQWSA-N 0 1 357.422 0.523 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573560733 946956519 /nfs/dbraw/zinc/95/65/19/946956519.db2.gz FPHUICJGTCPAEM-UNXYVOJBSA-N 0 1 355.406 0.420 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573566535 947026844 /nfs/dbraw/zinc/02/68/44/947026844.db2.gz CYYSACHJSBROLX-UTUOFQBUSA-N 0 1 353.390 0.386 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573566961 947035352 /nfs/dbraw/zinc/03/53/52/947035352.db2.gz IKZSKHQDOUVKFT-SJKOYZFVSA-N 0 1 367.417 0.635 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001573570918 947096776 /nfs/dbraw/zinc/09/67/76/947096776.db2.gz WOWPOUVSGIXNTR-TUAOUCFPSA-N 0 1 353.390 0.101 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573573121 947119299 /nfs/dbraw/zinc/11/92/99/947119299.db2.gz MQKYHQGKRQMIPN-DGCLKSJQSA-N 0 1 369.433 0.715 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001573577974 947178263 /nfs/dbraw/zinc/17/82/63/947178263.db2.gz WQDHUUKNXQSTSJ-AAEUAGOBSA-N 0 1 363.385 0.508 20 30 FCEDMN C[C@@H](C#N)C(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573583108 947199900 /nfs/dbraw/zinc/19/99/00/947199900.db2.gz JMFCLWIRHOSWRW-NSHDSACASA-N 0 1 355.406 0.539 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573309474 947200120 /nfs/dbraw/zinc/20/01/20/947200120.db2.gz JHDOCIWJZPWUOH-QFSBIZTOSA-N 0 1 372.433 0.245 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573309980 947213549 /nfs/dbraw/zinc/21/35/49/947213549.db2.gz QQHGOYULESWONG-GOSISDBHSA-N 0 1 356.430 0.742 20 30 FCEDMN CCOC(=O)c1ccsc1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC000825565552 947224356 /nfs/dbraw/zinc/22/43/56/947224356.db2.gz VIASUSHBMZWLOI-UHFFFAOYSA-N 0 1 372.370 0.812 20 30 FCEDMN C=CCCOCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001573337002 947511963 /nfs/dbraw/zinc/51/19/63/947511963.db2.gz SJMRLRSOQBAHGY-ZIAGYGMSSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001573342719 947543626 /nfs/dbraw/zinc/54/36/26/947543626.db2.gz ATGWHXPWYAOCSZ-VIKVFOODSA-N 0 1 355.402 0.324 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573351888 947620847 /nfs/dbraw/zinc/62/08/47/947620847.db2.gz XDYBQCZRQPQWCJ-OLZOCXBDSA-N 0 1 370.417 0.287 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573358065 947657280 /nfs/dbraw/zinc/65/72/80/947657280.db2.gz DTDQHZLUQLNDNM-CYBMUJFWSA-N 0 1 354.418 0.935 20 30 FCEDMN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001574079588 948772120 /nfs/dbraw/zinc/77/21/20/948772120.db2.gz LBWRSRUUZVOYNY-NSHDSACASA-N 0 1 359.394 0.193 20 30 FCEDMN C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001602789480 971545241 /nfs/dbraw/zinc/54/52/41/971545241.db2.gz UWJPASWQSDVHAJ-QWHCGFSZSA-N 0 1 362.430 0.335 20 30 FCEDMN CC(C)(C)OC(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H]2C[C@@H]21 ZINC001573857724 950413433 /nfs/dbraw/zinc/41/34/33/950413433.db2.gz XZBKRDGWMZVVKS-MNOVXSKESA-N 0 1 369.389 0.726 20 30 FCEDMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575928018 950770230 /nfs/dbraw/zinc/77/02/30/950770230.db2.gz XPSKDENGCCVPMZ-IINYFYTJSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575928204 950777704 /nfs/dbraw/zinc/77/77/04/950777704.db2.gz ZUTGECKHCNNBFP-ZWNOBZJWSA-N 0 1 363.385 0.598 20 30 FCEDMN COc1cccc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)c1 ZINC001571006653 951187081 /nfs/dbraw/zinc/18/70/81/951187081.db2.gz NFMTZYTXCFUFRU-UHFFFAOYSA-N 0 1 363.385 0.864 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571031394 951529546 /nfs/dbraw/zinc/52/95/46/951529546.db2.gz CUBIIJJRCQDRJR-LBPRGKRZSA-N 0 1 367.417 0.635 20 30 FCEDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001571084131 952186993 /nfs/dbraw/zinc/18/69/93/952186993.db2.gz ZUMXYULCEHBTRX-SNVBAGLBSA-N 0 1 371.405 0.974 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001573379550 963108618 /nfs/dbraw/zinc/10/86/18/963108618.db2.gz MWSYLLATYZGMJV-JKIFEVAISA-N 0 1 353.419 0.291 20 30 FCEDMN CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001603723680 974156423 /nfs/dbraw/zinc/15/64/23/974156423.db2.gz AFLSSEMNHHJCFA-ILXRZTDVSA-N 0 1 361.446 0.918 20 30 FCEDMN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC001592418801 978027561 /nfs/dbraw/zinc/02/75/61/978027561.db2.gz WZBSYUBFQZUMMS-LLVKDONJSA-N 0 1 357.457 0.930 20 30 FCEDMN C[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592654078 978635524 /nfs/dbraw/zinc/63/55/24/978635524.db2.gz DYFVQTJULOORHO-MELADBBJSA-N 0 1 352.435 0.884 20 30 FCEDMN C[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592654078 978635525 /nfs/dbraw/zinc/63/55/25/978635525.db2.gz DYFVQTJULOORHO-MELADBBJSA-N 0 1 352.435 0.884 20 30 FCEDMN C[C@](CO)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001592749166 979300818 /nfs/dbraw/zinc/30/08/18/979300818.db2.gz JISJZLZCXNLJIG-OAHLLOKOSA-N 0 1 358.316 0.598 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001588463611 983491736 /nfs/dbraw/zinc/49/17/36/983491736.db2.gz FDLXVZSLFBKCOO-UHFFFAOYSA-N 0 1 360.414 0.968 20 30 FCEDMN C#CC[N@H+](C)CCCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001588463819 983492345 /nfs/dbraw/zinc/49/23/45/983492345.db2.gz MJZPOFHMLUKHHU-UHFFFAOYSA-N 0 1 370.409 0.478 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001588463819 983492347 /nfs/dbraw/zinc/49/23/47/983492347.db2.gz MJZPOFHMLUKHHU-UHFFFAOYSA-N 0 1 370.409 0.478 20 30 FCEDMN C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])CC1 ZINC001588476047 983510139 /nfs/dbraw/zinc/51/01/39/983510139.db2.gz LBIPYWFPUJLGET-UHFFFAOYSA-N 0 1 357.819 0.809 20 30 FCEDMN C#Cc1cccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001588518064 983567723 /nfs/dbraw/zinc/56/77/23/983567723.db2.gz OORGNSMEWDHGNA-AWEZNQCLSA-N 0 1 357.410 0.292 20 30 FCEDMN C#Cc1cccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001588518064 983567727 /nfs/dbraw/zinc/56/77/27/983567727.db2.gz OORGNSMEWDHGNA-AWEZNQCLSA-N 0 1 357.410 0.292 20 30 FCEDMN CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)(C)C(=O)[O-] ZINC001596201732 983586958 /nfs/dbraw/zinc/58/69/58/983586958.db2.gz IHUMOANXMJWHCG-UHFFFAOYSA-N 0 1 363.418 0.688 20 30 FCEDMN CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)(C)C(=O)[O-] ZINC001596201732 983586960 /nfs/dbraw/zinc/58/69/60/983586960.db2.gz IHUMOANXMJWHCG-UHFFFAOYSA-N 0 1 363.418 0.688 20 30 FCEDMN C=CCOC[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC001588855184 984391130 /nfs/dbraw/zinc/39/11/30/984391130.db2.gz BILTUYRBSJUYGO-ZNMIVQPWSA-N 0 1 350.419 0.227 20 30 FCEDMN C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588896727 984504298 /nfs/dbraw/zinc/50/42/98/984504298.db2.gz LAIJJAUNGGEKEX-OCCSQVGLSA-N 0 1 372.433 0.972 20 30 FCEDMN C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588896727 984504301 /nfs/dbraw/zinc/50/43/01/984504301.db2.gz LAIJJAUNGGEKEX-OCCSQVGLSA-N 0 1 372.433 0.972 20 30 FCEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC001594512763 985786810 /nfs/dbraw/zinc/78/68/10/985786810.db2.gz AKDDSPNDQPQSOP-OAHLLOKOSA-N 0 1 357.410 0.162 20 30 FCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC001594512763 985786811 /nfs/dbraw/zinc/78/68/11/985786811.db2.gz AKDDSPNDQPQSOP-OAHLLOKOSA-N 0 1 357.410 0.162 20 30 FCEDMN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001589335922 986215799 /nfs/dbraw/zinc/21/57/99/986215799.db2.gz URXPRZBYPOBZHY-OLZOCXBDSA-N 0 1 374.397 0.391 20 30 FCEDMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC001598782320 995998724 /nfs/dbraw/zinc/99/87/24/995998724.db2.gz 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ZINC001129678163 1201375753 /nfs/dbraw/zinc/37/57/53/1201375753.db2.gz YDVXLWPJRLSIFD-MJBXVCDLSA-N 0 1 361.450 0.084 20 30 FCEDMN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086625219 1201394057 /nfs/dbraw/zinc/39/40/57/1201394057.db2.gz PEJZRAYNYAPBSW-JKSUJKDBSA-N 0 1 368.441 0.537 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](NCc2n[nH]c(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001129829741 1201402921 /nfs/dbraw/zinc/40/29/21/1201402921.db2.gz NULONTPVIFRHRX-CABCVRRESA-N 0 1 370.461 0.865 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@@H]1n1ccnn1 ZINC001129833916 1201408954 /nfs/dbraw/zinc/40/89/54/1201408954.db2.gz IYRDZVGPWSWWMA-NWJGJRDGSA-N 0 1 360.462 0.667 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@H](C)c2n[nH]c(CC)n2)[C@@H](n2ccnn2)C1 ZINC001129834572 1201409570 /nfs/dbraw/zinc/40/95/70/1201409570.db2.gz ZRMYAIBZPLSBKE-KFWWJZLASA-N 0 1 370.461 0.865 20 30 FCEDMN CCO[C@@H](C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1)C(C)C ZINC001129837599 1201409971 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360.462 0.501 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@@H]1n1ccnn1 ZINC001129906825 1201421722 /nfs/dbraw/zinc/42/17/22/1201421722.db2.gz BXXKSJWASIWQSM-CVEARBPZSA-N 0 1 354.414 0.289 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@@H]1n1ccnn1 ZINC001129910496 1201423138 /nfs/dbraw/zinc/42/31/38/1201423138.db2.gz VVZYZGGBFUWDAF-INMHGKMJSA-N 0 1 367.457 0.736 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@@H]1n1ccnn1 ZINC001129910370 1201423244 /nfs/dbraw/zinc/42/32/44/1201423244.db2.gz PZOLZSDDMVQFDL-WBVHZDCISA-N 0 1 363.425 0.913 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@@H]1n1ccnn1 ZINC001129916761 1201427002 /nfs/dbraw/zinc/42/70/02/1201427002.db2.gz DCOKWXLNXRMWQX-KGLIPLIRSA-N 0 1 364.425 0.204 20 30 FCEDMN C#CCCCCCC(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129959012 1201451284 /nfs/dbraw/zinc/45/12/84/1201451284.db2.gz BOJUAFMOMQRWOU-CVEARBPZSA-N 0 1 360.462 0.292 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129977920 1201460459 /nfs/dbraw/zinc/46/04/59/1201460459.db2.gz KOINEIUMWSKDLB-OAGGEKHMSA-N 0 1 360.462 0.454 20 30 FCEDMN CCC[C@@H](OCC)C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129976506 1201463617 /nfs/dbraw/zinc/46/36/17/1201463617.db2.gz OVOSSMRLOIEDIW-IXDOHACOSA-N 0 1 363.462 0.475 20 30 FCEDMN C=C(C)C[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129976329 1201463837 /nfs/dbraw/zinc/46/38/37/1201463837.db2.gz LUMAXUWGTQWHAC-XHSDSOJGSA-N 0 1 362.478 0.748 20 30 FCEDMN C=C1CCC(C(=O)N2C[C@@H](NCC(=O)N(C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001129994334 1201464469 /nfs/dbraw/zinc/46/44/69/1201464469.db2.gz IHNCLKDXYVMBKA-CVEARBPZSA-N 0 1 360.462 0.454 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129995990 1201465736 /nfs/dbraw/zinc/46/57/36/1201465736.db2.gz VZNNLAJPNRPROA-VKJFTORMSA-N 0 1 362.478 0.748 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](N[C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130022899 1201475045 /nfs/dbraw/zinc/47/50/45/1201475045.db2.gz QHHQCTLDCNVZRO-ZNMIVQPWSA-N 0 1 360.462 0.501 20 30 FCEDMN C=CC1(CC(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)CCCCC1 ZINC001130040926 1201478270 /nfs/dbraw/zinc/47/82/70/1201478270.db2.gz SIEMGJFHWSQFDI-CABCVRRESA-N 0 1 360.462 0.632 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)C[C@@H]1n1ccnn1 ZINC001130062731 1201488668 /nfs/dbraw/zinc/48/86/68/1201488668.db2.gz UQFCXBCADMZJME-XYPHTWIQSA-N 0 1 367.457 0.805 20 30 FCEDMN CCN(C)[C@H](C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130083898 1201493338 /nfs/dbraw/zinc/49/33/38/1201493338.db2.gz PBRWGRAAEFQJQL-SQNIBIBYSA-N 0 1 367.457 0.836 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@@H]1n1ccnn1 ZINC001130074850 1201494648 /nfs/dbraw/zinc/49/46/48/1201494648.db2.gz HXMKJXDOTJAZJR-CABCVRRESA-N 0 1 370.413 0.449 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@@H]1n1ccnn1 ZINC001130074825 1201495081 /nfs/dbraw/zinc/49/50/81/1201495081.db2.gz HJQMFRGNQMFYAX-ZACQAIPSSA-N 0 1 357.458 0.850 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001130094166 1201498549 /nfs/dbraw/zinc/49/85/49/1201498549.db2.gz DUEJHSLIAHHGAN-KGLIPLIRSA-N 0 1 367.400 0.705 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)COCc2cccnc2)C[C@@H]1n1ccnn1 ZINC001130104962 1201501261 /nfs/dbraw/zinc/50/12/61/1201501261.db2.gz DSCZBKPLAHOERP-SJORKVTESA-N 0 1 354.414 0.255 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@@H]1n1ccnn1 ZINC001130109752 1201503062 /nfs/dbraw/zinc/50/30/62/1201503062.db2.gz FHDMJRZOPUUEEE-QYZOEREBSA-N 0 1 365.437 0.784 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@@H]1n1ccnn1 ZINC001130112252 1201505036 /nfs/dbraw/zinc/50/50/36/1201505036.db2.gz TUYAZNGPKLPBSG-RVKKMQEKSA-N 0 1 367.409 0.483 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1n1ccnn1 ZINC001130115043 1201505645 /nfs/dbraw/zinc/50/56/45/1201505645.db2.gz QMGYUOSOHJADEJ-MSOLQXFVSA-N 0 1 361.409 0.900 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@@H]1n1ccnn1 ZINC001130125257 1201506367 /nfs/dbraw/zinc/50/63/67/1201506367.db2.gz DYAQGTAYXXTJRZ-CABCVRRESA-N 0 1 369.454 0.595 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(C)cc(=O)[nH]c2C)C[C@@H]1n1ccnn1 ZINC001130129703 1201508413 /nfs/dbraw/zinc/50/84/13/1201508413.db2.gz SRVZPIQNNIVKCU-CABCVRRESA-N 0 1 354.414 0.674 20 30 FCEDMN C=CCC1(C(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)CCCCC1 ZINC001130142541 1201516373 /nfs/dbraw/zinc/51/63/73/1201516373.db2.gz APIZRXHVFDYMKU-CABCVRRESA-N 0 1 360.462 0.632 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153206 1201518148 /nfs/dbraw/zinc/51/81/48/1201518148.db2.gz CXUODGGHROOVSP-MSOLQXFVSA-N 0 1 352.442 0.779 20 30 FCEDMN CCc1cc(C(=O)NCc2nnc([C@H]3CCO[C@H]3CNCC#N)[nH]2)[nH]n1 ZINC001130184594 1201537765 /nfs/dbraw/zinc/53/77/65/1201537765.db2.gz BKIONDDPLMNWSU-AAEUAGOBSA-N 0 1 358.406 0.006 20 30 FCEDMN CCc1cc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3CNCC#N)n2)[nH]n1 ZINC001130184594 1201537769 /nfs/dbraw/zinc/53/77/69/1201537769.db2.gz BKIONDDPLMNWSU-AAEUAGOBSA-N 0 1 358.406 0.006 20 30 FCEDMN CCc1occc1C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130209945 1201544068 /nfs/dbraw/zinc/54/40/68/1201544068.db2.gz RMNMEPDXKUSCOO-FZMZJTMJSA-N 0 1 358.402 0.876 20 30 FCEDMN CCc1occc1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130209945 1201544070 /nfs/dbraw/zinc/54/40/70/1201544070.db2.gz RMNMEPDXKUSCOO-FZMZJTMJSA-N 0 1 358.402 0.876 20 30 FCEDMN C[C@H](CC(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1)n1cccc1 ZINC001130246374 1201566526 /nfs/dbraw/zinc/56/65/26/1201566526.db2.gz ICFXPPRMTBMUNH-ILXRZTDVSA-N 0 1 371.445 0.859 20 30 FCEDMN C[C@H](CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1)n1cccc1 ZINC001130246374 1201566532 /nfs/dbraw/zinc/56/65/32/1201566532.db2.gz ICFXPPRMTBMUNH-ILXRZTDVSA-N 0 1 371.445 0.859 20 30 FCEDMN CCn1cccc1C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130249209 1201569362 /nfs/dbraw/zinc/56/93/62/1201569362.db2.gz PHLBFNHAPGQDSO-JSGCOSHPSA-N 0 1 357.418 0.542 20 30 FCEDMN CCn1cccc1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130249209 1201569366 /nfs/dbraw/zinc/56/93/66/1201569366.db2.gz PHLBFNHAPGQDSO-JSGCOSHPSA-N 0 1 357.418 0.542 20 30 FCEDMN CC(C)OCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130253966 1201571079 /nfs/dbraw/zinc/57/10/79/1201571079.db2.gz YSJNPAKKLXOVRO-KBPBESRZSA-N 0 1 364.450 0.612 20 30 FCEDMN CC(C)OCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130253966 1201571080 /nfs/dbraw/zinc/57/10/80/1201571080.db2.gz YSJNPAKKLXOVRO-KBPBESRZSA-N 0 1 364.450 0.612 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC)CC1 ZINC001130266866 1201573132 /nfs/dbraw/zinc/57/31/32/1201573132.db2.gz VNUXABZYGHBFBZ-JOQOYGCGSA-N 0 1 362.474 0.010 20 30 FCEDMN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CNC(=O)CCC)CC1 ZINC001130276847 1201575431 /nfs/dbraw/zinc/57/54/31/1201575431.db2.gz SARQOCDZMBFFCS-BEFAXECRSA-N 0 1 362.474 0.011 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ZINC001575074365 1271709587 /nfs/dbraw/zinc/70/95/87/1271709587.db2.gz VXAFRZDCDUUZHT-SFHVURJKSA-N 0 1 372.429 0.724 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N(Cc1c[nH]nn1)C1CCN(CC(=O)NC)CC1 ZINC001575076079 1271712353 /nfs/dbraw/zinc/71/23/53/1271712353.db2.gz WTJGZFKRCJYEBV-AWEZNQCLSA-N 0 1 362.478 0.946 20 30 FCEDMN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001575084741 1271712389 /nfs/dbraw/zinc/71/23/89/1271712389.db2.gz AOLFPHQZYNTCLO-OAHLLOKOSA-N 0 1 360.462 0.770 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCOCc2c[nH]nn2)C1 ZINC001575077705 1271712670 /nfs/dbraw/zinc/71/26/70/1271712670.db2.gz ARORXQBOOIXVNV-ZIAGYGMSSA-N 0 1 365.434 0.002 20 30 FCEDMN C=CCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1CC(=O)NCc1cn[nH]n1 ZINC001575085518 1271714047 /nfs/dbraw/zinc/71/40/47/1271714047.db2.gz LENRTUSVUVZHSQ-ORQFMDKSSA-N 0 1 372.473 0.556 20 30 FCEDMN C=CCCC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)CC(=O)NC)CC1 ZINC001575085079 1271714543 /nfs/dbraw/zinc/71/45/43/1271714543.db2.gz 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1271763550 /nfs/dbraw/zinc/76/35/50/1271763550.db2.gz BPOJYMRJBXWROM-GUYCJALGSA-N 0 1 362.434 0.147 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccccc2-c2cn[nH]n2)C1 ZINC001575176717 1271764845 /nfs/dbraw/zinc/76/48/45/1271764845.db2.gz HFZJWWYVKTVNQA-UBHSHLNASA-N 0 1 352.398 0.937 20 30 FCEDMN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575176808 1271765369 /nfs/dbraw/zinc/76/53/69/1271765369.db2.gz HVNBNJQURNMFCP-QWHCGFSZSA-N 0 1 361.450 0.139 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575177058 1271765723 /nfs/dbraw/zinc/76/57/23/1271765723.db2.gz JOIBSBWUVWPWNA-MXZCIGPVSA-N 0 1 365.397 0.888 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575176752 1271765813 /nfs/dbraw/zinc/76/58/13/1271765813.db2.gz HLIFCSKUZUMFCL-GXTWGEPZSA-N 0 1 370.413 0.109 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001575178046 1271767169 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CCN(CCCNC(=O)[C@@H](C)OCc1c[nH]nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001576521892 1273408152 /nfs/dbraw/zinc/40/81/52/1273408152.db2.gz JXHHXZJGUNZPJI-GFCCVEGCSA-N 0 1 373.417 0.578 20 30 FCEDMN CCN(CCCNC(=O)[C@@H](C)OCc1c[nH]nn1)c1ccnc(C#N)n1 ZINC001576523557 1273410210 /nfs/dbraw/zinc/41/02/10/1273410210.db2.gz RKZYSLKAIAYZFS-GFCCVEGCSA-N 0 1 358.406 0.404 20 30 FCEDMN CCn1cc(CN2CCC(N(Cc3c[nH]nn3)C(=O)[C@@H](C)C#N)CC2)nn1 ZINC001576691966 1273559755 /nfs/dbraw/zinc/55/97/55/1273559755.db2.gz LPOJLQIZOVAAOD-ZDUSSCGKSA-N 0 1 371.449 0.569 20 30 FCEDMN CN(C(=O)CCOCc1c[nH]nn1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001576723219 1273589897 /nfs/dbraw/zinc/58/98/97/1273589897.db2.gz AXLSAGFIEFQGBB-CYBMUJFWSA-N 0 1 366.447 0.027 20 30 FCEDMN CN(C(=O)CCCc1c[nH]nn1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001576719215 1273590796 /nfs/dbraw/zinc/59/07/96/1273590796.db2.gz PETLQWJJKXVRHZ-UHFFFAOYSA-N 0 1 355.402 0.747 20 30 FCEDMN CN(C(=O)CCCc1cnn[nH]1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001576719215 1273590805 /nfs/dbraw/zinc/59/08/05/1273590805.db2.gz PETLQWJJKXVRHZ-UHFFFAOYSA-N 0 1 355.402 0.747 20 30 FCEDMN CN(C[C@@H]1CCN1C(=O)c1ccc(-c2cn[nH]n2)cn1)C(=O)C#CC1CC1 ZINC001576791318 1273688730 /nfs/dbraw/zinc/68/87/30/1273688730.db2.gz LTGTZRFKFTYCCI-HNNXBMFYSA-N 0 1 364.409 0.953 20 30 FCEDMN CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576869686 1273843170 /nfs/dbraw/zinc/84/31/70/1273843170.db2.gz DZPLJGBKCKVKQZ-CQSZACIVSA-N 0 1 373.392 0.854 20 30 FCEDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001577176661 1274225893 /nfs/dbraw/zinc/22/58/93/1274225893.db2.gz GRCYVWYRYSQQCE-NWDGAFQWSA-N 0 1 355.406 0.754 20 30 FCEDMN Cc1cc(C#N)nc(N(CCNC(=O)[C@H](C)OCc2c[nH]nn2)C2CC2)n1 ZINC001577256413 1274285527 /nfs/dbraw/zinc/28/55/27/1274285527.db2.gz PEFVRVIKGMYHRD-LBPRGKRZSA-N 0 1 370.417 0.465 20 30 FCEDMN N#CCN1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3cn[nH]n3)cn1)O2 ZINC001577706952 1274767658 /nfs/dbraw/zinc/76/76/58/1274767658.db2.gz ZNTZXDZRVPBOIK-ZDUSSCGKSA-N 0 1 353.386 0.353 20 30 FCEDMN N#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)CCCc2c[nH]nn2)C3)[nH]1 ZINC001577712122 1274772629 /nfs/dbraw/zinc/77/26/29/1274772629.db2.gz BFTAIUIYOTXMEI-UHFFFAOYSA-N 0 1 367.413 0.702 20 30 FCEDMN N#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)CCCc2cnn[nH]2)C3)[nH]1 ZINC001577712122 1274772634 /nfs/dbraw/zinc/77/26/34/1274772634.db2.gz BFTAIUIYOTXMEI-UHFFFAOYSA-N 0 1 367.413 0.702 20 30 FCEDMN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nc1 ZINC001577717637 1274777219 /nfs/dbraw/zinc/77/72/19/1274777219.db2.gz LDPKPDCRLNODGO-ZBFHGGJFSA-N 0 1 366.429 0.749 20 30 FCEDMN N#Cc1cnc(NC[C@H]2CCCN2C(=O)CCOCc2c[nH]nn2)cn1 ZINC001577718905 1274781650 /nfs/dbraw/zinc/78/16/50/1274781650.db2.gz ALYOAUWAOFXYGD-CQSZACIVSA-N 0 1 356.390 0.476 20 30 FCEDMN N#Cc1nccc(NC[C@@H]2CCC[C@H]2NC(=O)CCCCc2cn[nH]n2)n1 ZINC001577718985 1274783177 /nfs/dbraw/zinc/78/31/77/1274783177.db2.gz DGRYLSUIHGBBPH-DZGCQCFKSA-N 0 1 368.445 0.998 20 30 FCEDMN CCOC(=O)[C@@H](CC1C[NH2+]C1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC001577914464 1275120408 /nfs/dbraw/zinc/12/04/08/1275120408.db2.gz QXZWPIAXKUDPJK-CQSZACIVSA-N 0 1 357.476 0.921 20 30 FCEDMN CCN(c1ccnc(-c2nn[nH]n2)n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578195032 1275484509 /nfs/dbraw/zinc/48/45/09/1275484509.db2.gz VGIFSGRLTPWHBX-SNVBAGLBSA-N 0 1 366.389 0.501 20 30 FCEDMN CN(C)c1cnn(C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)c1 ZINC001579002166 1276571715 /nfs/dbraw/zinc/57/17/15/1276571715.db2.gz LTVSXNJYOZAKEI-UHFFFAOYSA-N 0 1 365.405 0.632 20 30 FCEDMN CN(C[C@@H]1COc2ccccc2O1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579107242 1276763655 /nfs/dbraw/zinc/76/36/55/1276763655.db2.gz YYWLAQFPEIGCOR-SNVBAGLBSA-N 0 1 350.342 0.805 20 30 FCEDMN CN(CCc1ccc2c(c1)OCO2)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579230174 1277039563 /nfs/dbraw/zinc/03/95/63/1277039563.db2.gz YCDPAFIYTDCELI-UHFFFAOYSA-N 0 1 350.342 0.936 20 30 FCEDMN COc1ncc(NC(=O)N2CCC[C@H]2C(=O)N2CCNCC2)cc1C#N ZINC001579324705 1277142330 /nfs/dbraw/zinc/14/23/30/1277142330.db2.gz ZDFKEBRGXWRDPD-AWEZNQCLSA-N 0 1 358.402 0.390 20 30 FCEDMN COC(=O)c1cc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)ccc1OC ZINC001579478750 1277384992 /nfs/dbraw/zinc/38/49/92/1277384992.db2.gz SFRWXEFNMSWAQY-UHFFFAOYSA-N 0 1 366.341 0.936 20 30 FCEDMN COC(=O)c1ccc(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001579481471 1277388548 /nfs/dbraw/zinc/38/85/48/1277388548.db2.gz QWNMUTDOIMQSNU-UHFFFAOYSA-N 0 1 350.342 0.970 20 30 FCEDMN CC(C)C#CC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001603189541 1287326084 /nfs/dbraw/zinc/32/60/84/1287326084.db2.gz OIIMEHPXYONNTG-CQSZACIVSA-N 0 1 369.429 0.372 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001603190082 1287326989 /nfs/dbraw/zinc/32/69/89/1287326989.db2.gz VNJCXJKBVAAKHW-KBPBESRZSA-N 0 1 368.445 0.635 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581007022 1279227150 /nfs/dbraw/zinc/22/71/50/1279227150.db2.gz FWMGEONDDFXWCO-GFCCVEGCSA-N 0 1 363.385 0.518 20 30 FCEDMN Cc1cc(NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030901 1279270250 /nfs/dbraw/zinc/27/02/50/1279270250.db2.gz SZAUEVPVTYAWAA-SNVBAGLBSA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1csc(CS(C)(=O)=O)n1 ZINC001581410396 1279878484 /nfs/dbraw/zinc/87/84/84/1279878484.db2.gz GEVXOWODHRHOPZ-UHFFFAOYSA-N 0 1 364.416 0.293 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)[nH]1 ZINC001581869411 1280624426 /nfs/dbraw/zinc/62/44/26/1280624426.db2.gz XHNBDUZUOFFRGX-JYAVWHMHSA-N 0 1 361.369 0.326 20 30 FCEDMN N#Cc1cnc(NCCn2cnc(-c3nn[nH]n3)n2)c(Br)c1 ZINC001581877765 1280632947 /nfs/dbraw/zinc/63/29/47/1280632947.db2.gz IGPOJCSVCMSYFK-UHFFFAOYSA-N 0 1 361.167 0.599 20 30 FCEDMN N#Cc1ncc(N2CCCN(c3ncccc3F)CC2)nc1-c1nn[nH]n1 ZINC001581882061 1280642396 /nfs/dbraw/zinc/64/23/96/1280642396.db2.gz JVZQBNJYGLXROQ-UHFFFAOYSA-N 0 1 366.364 0.779 20 30 FCEDMN N#Cc1ncc(NC[C@@H](CO)Cc2ccc(F)cc2)nc1-c1nn[nH]n1 ZINC001581882865 1280645336 /nfs/dbraw/zinc/64/53/36/1280645336.db2.gz KDVJMIQITTUDFQ-NSHDSACASA-N 0 1 354.349 0.931 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)nc1-c1nn[nH]n1 ZINC001581883231 1280647099 /nfs/dbraw/zinc/64/70/99/1280647099.db2.gz SGEWKEQEHWASBU-SECBINFHSA-N 0 1 360.403 0.440 20 30 FCEDMN N#Cc1ncc(NCc2ncc(Br)cn2)nc1-c1nn[nH]n1 ZINC001581884202 1280649111 /nfs/dbraw/zinc/64/91/11/1280649111.db2.gz OVZVRHQFENMTAO-UHFFFAOYSA-N 0 1 359.151 0.693 20 30 FCEDMN C[C@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccc(C#N)cc1 ZINC001603631319 1287450147 /nfs/dbraw/zinc/45/01/47/1287450147.db2.gz YAPVXRVFEWUMKP-JTQLQIEISA-N 0 1 352.362 0.390 20 30 FCEDMN C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603920188 1287535398 /nfs/dbraw/zinc/53/53/98/1287535398.db2.gz KXSKUJWOIHZOJY-ZWNOBZJWSA-N 0 1 358.431 0.199 20 30 FCEDMN Cc1c(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cnn1-c1cc[nH+]cc1 ZINC001633550543 1282254673 /nfs/dbraw/zinc/25/46/73/1282254673.db2.gz SBKINSRMHNXONF-UHFFFAOYSA-N 0 1 365.353 0.140 20 30 FCEDMN C#CC[C@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588333738 1282425875 /nfs/dbraw/zinc/42/58/75/1282425875.db2.gz CSCHBIKDJIPZSI-SECBINFHSA-N 0 1 366.359 0.092 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](CC)C1 ZINC001588336584 1282429699 /nfs/dbraw/zinc/42/96/99/1282429699.db2.gz QNCMVIIIGQDQBF-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588336866 1282429709 /nfs/dbraw/zinc/42/97/09/1282429709.db2.gz VNLCAUGMAMLOSG-UHFFFAOYSA-N 0 1 357.418 0.028 20 30 FCEDMN C#CCCCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588340038 1282434056 /nfs/dbraw/zinc/43/40/56/1282434056.db2.gz CQSLMTJYXAMWML-CYBMUJFWSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001588341126 1282436396 /nfs/dbraw/zinc/43/63/96/1282436396.db2.gz YNVAXNNTZZFPOH-AGIUHOORSA-N 0 1 352.402 0.686 20 30 FCEDMN C#CCCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001588340589 1282436938 /nfs/dbraw/zinc/43/69/38/1282436938.db2.gz WHGSRMSYDXYKCW-ZDUSSCGKSA-N 0 1 370.417 0.172 20 30 FCEDMN C#CCCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588342667 1282438829 /nfs/dbraw/zinc/43/88/29/1282438829.db2.gz PGMPBNAOQLOAHU-BETUJISGSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588342209 1282439029 /nfs/dbraw/zinc/43/90/29/1282439029.db2.gz VXRLRSAQTSKNPG-CYBMUJFWSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588344669 1282440377 /nfs/dbraw/zinc/44/03/77/1282440377.db2.gz ZKLXEUIQFKPGLT-KBPBESRZSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588343027 1282440763 /nfs/dbraw/zinc/44/07/63/1282440763.db2.gz XACFCLNEJTUOMK-ZDUSSCGKSA-N 0 1 357.418 0.075 20 30 FCEDMN C#CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCCc2ccccc21 ZINC001588348495 1282442551 /nfs/dbraw/zinc/44/25/51/1282442551.db2.gz YQMFTOHMEJVLTR-OAHLLOKOSA-N 0 1 362.397 0.998 20 30 FCEDMN C#CCN(C(=O)CCOC)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588347941 1282442680 /nfs/dbraw/zinc/44/26/80/1282442680.db2.gz BLUOKOXBBSLQKZ-UHFFFAOYSA-N 0 1 369.429 0.729 20 30 FCEDMN C#CCN(CC#N)C(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588350211 1282445252 /nfs/dbraw/zinc/44/52/52/1282445252.db2.gz ITXKAGYQISTVSH-UHFFFAOYSA-N 0 1 354.374 0.365 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588354899 1282450892 /nfs/dbraw/zinc/45/08/92/1282450892.db2.gz CEWZBXDJRILODC-GDBMZVCRSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588355837 1282457049 /nfs/dbraw/zinc/45/70/49/1282457049.db2.gz NMTLKCFGTWRQDA-XJKSGUPXSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588355836 1282457214 /nfs/dbraw/zinc/45/72/14/1282457214.db2.gz NMTLKCFGTWRQDA-CZUORRHYSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588356401 1282458427 /nfs/dbraw/zinc/45/84/27/1282458427.db2.gz XBFMWPOMAAFJEC-YOEHRIQHSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588356537 1282460498 /nfs/dbraw/zinc/46/04/98/1282460498.db2.gz DAQALVUVIXGRKE-LBPRGKRZSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588356685 1282461546 /nfs/dbraw/zinc/46/15/46/1282461546.db2.gz DSMLKGIFFKSPCT-ZDUSSCGKSA-N 0 1 354.414 0.453 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588357525 1282465779 /nfs/dbraw/zinc/46/57/79/1282465779.db2.gz KNJMCRCHWKEZSR-ZDUSSCGKSA-N 0 1 374.420 0.934 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588358824 1282471033 /nfs/dbraw/zinc/47/10/33/1282471033.db2.gz VIEJPSUEGUQDOZ-VXGBXAGGSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588358824 1282471035 /nfs/dbraw/zinc/47/10/35/1282471035.db2.gz VIEJPSUEGUQDOZ-VXGBXAGGSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588359033 1282472172 /nfs/dbraw/zinc/47/21/72/1282472172.db2.gz XKOUZDQMUIZAJN-LBPRGKRZSA-N 0 1 355.402 0.125 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001588371399 1282493537 /nfs/dbraw/zinc/49/35/37/1282493537.db2.gz GEZWMYHLOVMXKF-NSHDSACASA-N 0 1 363.385 0.075 20 30 FCEDMN C#Cc1ccccc1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588377245 1282496497 /nfs/dbraw/zinc/49/64/97/1282496497.db2.gz SZZBYWOXQBPXKA-UHFFFAOYSA-N 0 1 374.408 0.363 20 30 FCEDMN C=C(Br)CNC/C=C/CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001588391038 1282497006 /nfs/dbraw/zinc/49/70/06/1282497006.db2.gz BYUBSSNXYIHSOL-NSCUHMNNSA-N 0 1 366.223 0.979 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403227 1282501069 /nfs/dbraw/zinc/50/10/69/1282501069.db2.gz XQLVLCHORYSGRE-GFCCVEGCSA-N 0 1 360.422 0.580 20 30 FCEDMN C=C(Cl)CNCCOCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001588447883 1282509521 /nfs/dbraw/zinc/50/95/21/1282509521.db2.gz MOUFQPQNAQJXJV-UHFFFAOYSA-N 0 1 353.814 0.626 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588477118 1282518037 /nfs/dbraw/zinc/51/80/37/1282518037.db2.gz ZZODDCADVGFBIK-SNVBAGLBSA-N 0 1 350.448 0.707 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588475485 1282518218 /nfs/dbraw/zinc/51/82/18/1282518218.db2.gz PEGBVEZUOJXBPC-GOSISDBHSA-N 0 1 371.445 0.840 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588495352 1282522471 /nfs/dbraw/zinc/52/24/71/1282522471.db2.gz CLXAEAGHUTUAOJ-MRXNPFEDSA-N 0 1 372.433 0.368 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588493595 1282523631 /nfs/dbraw/zinc/52/36/31/1282523631.db2.gz IGOFRXKKSAWFEY-SJKOYZFVSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588492147 1282524402 /nfs/dbraw/zinc/52/44/02/1282524402.db2.gz PAVIEIRNCFHULA-SJCJKPOMSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588502518 1282541459 /nfs/dbraw/zinc/54/14/59/1282541459.db2.gz SPIQOWVHFMWOEV-PIGZYNQJSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588504145 1282543016 /nfs/dbraw/zinc/54/30/16/1282543016.db2.gz JKCXQQWQQFYFGB-APPDUMDISA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588503927 1282544349 /nfs/dbraw/zinc/54/43/49/1282544349.db2.gz HZHTURFYCYEIMQ-MAUKXSAKSA-N 0 1 356.430 0.884 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588504153 1282544496 /nfs/dbraw/zinc/54/44/96/1282544496.db2.gz JKCXQQWQQFYFGB-PIGZYNQJSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001588505795 1282548511 /nfs/dbraw/zinc/54/85/11/1282548511.db2.gz XPMZXBHPFUBSHS-OMPKRAJASA-N 0 1 371.445 0.838 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588522513 1282555208 /nfs/dbraw/zinc/55/52/08/1282555208.db2.gz AUFHSHYLSVFGNO-AVGNSLFASA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588532732 1282560633 /nfs/dbraw/zinc/56/06/33/1282560633.db2.gz DITMXEJSTMCYSX-LBPRGKRZSA-N 0 1 359.434 0.483 20 30 FCEDMN C=CC[C@H](C(=O)OC)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588532235 1282562265 /nfs/dbraw/zinc/56/22/65/1282562265.db2.gz QDODORZVSAICDB-GFCCVEGCSA-N 0 1 373.417 0.972 20 30 FCEDMN C=CCCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588587522 1282574719 /nfs/dbraw/zinc/57/47/19/1282574719.db2.gz WZTFKWBKEMYFLK-QGZVFWFLSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588609052 1282584021 /nfs/dbraw/zinc/58/40/21/1282584021.db2.gz TYJAWMRGYYPSLQ-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608227 1282584276 /nfs/dbraw/zinc/58/42/76/1282584276.db2.gz HVNLDZWGQMABJC-PNESKVBLSA-N 0 1 372.433 0.367 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609440 1282587246 /nfs/dbraw/zinc/58/72/46/1282587246.db2.gz XETIXCGYSBXDGU-QWHCGFSZSA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588667324 1282622563 /nfs/dbraw/zinc/62/25/63/1282622563.db2.gz WFRLCQFEZOSWMK-OKILXGFUSA-N 0 1 369.429 0.952 20 30 FCEDMN C=CCOCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588672649 1282626697 /nfs/dbraw/zinc/62/66/97/1282626697.db2.gz XTGJHOGGIBAKHE-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCOc1cccc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001588690142 1282647583 /nfs/dbraw/zinc/64/75/83/1282647583.db2.gz UUTLPVMTDPOSBL-UHFFFAOYSA-N 0 1 355.362 0.845 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(CC)CCOCC ZINC001588700528 1282651858 /nfs/dbraw/zinc/65/18/58/1282651858.db2.gz SIMMHPCKLOUZCM-UHFFFAOYSA-N 0 1 358.410 0.897 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CCC(C)C ZINC001588710002 1282656381 /nfs/dbraw/zinc/65/63/81/1282656381.db2.gz ZXGKYLPDYSFCKM-UHFFFAOYSA-N 0 1 357.426 0.766 20 30 FCEDMN C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001638313848 1282682888 /nfs/dbraw/zinc/68/28/88/1282682888.db2.gz YOIGADIRCSXIIY-ZIAGYGMSSA-N 0 1 373.457 0.980 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588926628 1282730244 /nfs/dbraw/zinc/73/02/44/1282730244.db2.gz JOAGGXYYRGCAEM-RYUDHWBXSA-N 0 1 355.406 0.421 20 30 FCEDMN C[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588970739 1282747282 /nfs/dbraw/zinc/74/72/82/1282747282.db2.gz OKEBJYKBZGBBEE-APPDUMDISA-N 0 1 363.385 0.587 20 30 FCEDMN C[C@H](C(=O)OCCCC1(C#N)CCOCC1)n1cnc(-c2nn[nH]n2)n1 ZINC001589028892 1282777808 /nfs/dbraw/zinc/77/78/08/1282777808.db2.gz ZIDNUYFDCIZTFL-LLVKDONJSA-N 0 1 360.378 0.663 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001589068890 1282792427 /nfs/dbraw/zinc/79/24/27/1282792427.db2.gz ZEYIRMOCDSGOAL-ZDUSSCGKSA-N 0 1 369.429 0.372 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001589379883 1282855303 /nfs/dbraw/zinc/85/53/03/1282855303.db2.gz FARMEMQZBQSSQD-HNNXBMFYSA-N 0 1 353.430 0.992 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589385280 1282865440 /nfs/dbraw/zinc/86/54/40/1282865440.db2.gz YPVSWDSIQVSCTH-ZIAGYGMSSA-N 0 1 366.429 0.743 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001589390037 1282871504 /nfs/dbraw/zinc/87/15/04/1282871504.db2.gz YEEMNZNGXNZWSF-CYBMUJFWSA-N 0 1 370.417 0.028 20 30 FCEDMN CCOC(=O)[C@@]1(CCn2c(C)nc(-c3nn[nH]n3)c2C#N)CCCC1=O ZINC001604367820 1287618593 /nfs/dbraw/zinc/61/85/93/1287618593.db2.gz UTDDNECQQHRADI-MRXNPFEDSA-N 0 1 357.374 0.936 20 30 FCEDMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CSCC#N ZINC001590175981 1283283401 /nfs/dbraw/zinc/28/34/01/1283283401.db2.gz YVFQNEAEKSOENK-JQWIXIFHSA-N 0 1 358.431 0.342 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590196457 1283304263 /nfs/dbraw/zinc/30/42/63/1283304263.db2.gz IVQFEOXLBVIFCV-YPMHNXCESA-N 0 1 352.402 0.544 20 30 FCEDMN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590256512 1283379572 /nfs/dbraw/zinc/37/95/72/1283379572.db2.gz FXXVKMDLYVYYLX-JSGCOSHPSA-N 0 1 366.429 0.531 20 30 FCEDMN C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C[C@@H](C)N1CC#N ZINC001590313700 1283456443 /nfs/dbraw/zinc/45/64/43/1283456443.db2.gz PQHSITJNZXAKTQ-NXEZZACHSA-N 0 1 367.460 0.535 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001591157977 1284231985 /nfs/dbraw/zinc/23/19/85/1284231985.db2.gz IIKMWOUIOZMLBA-NSHDSACASA-N 0 1 373.446 0.341 20 30 FCEDMN COC(=O)c1cccc(C(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001591297591 1284450751 /nfs/dbraw/zinc/45/07/51/1284450751.db2.gz FZGWMETXJTWBFD-UHFFFAOYSA-N 0 1 351.326 0.913 20 30 FCEDMN COCC#CCN1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@H]12 ZINC001591360460 1284496022 /nfs/dbraw/zinc/49/60/22/1284496022.db2.gz DCGRFMKEUDLXQS-MAUKXSAKSA-N 0 1 369.429 0.571 20 30 FCEDMN COc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)ccc1C#N ZINC001591528541 1284716300 /nfs/dbraw/zinc/71/63/00/1284716300.db2.gz SWJZNIFOGDWSBM-SECBINFHSA-N 0 1 353.346 0.216 20 30 FCEDMN COc1ccc(C#N)cc1CNCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591570310 1284742856 /nfs/dbraw/zinc/74/28/56/1284742856.db2.gz HXFUMRXTEDSUGU-UHFFFAOYSA-N 0 1 366.385 0.595 20 30 FCEDMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)C#CC(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001591994050 1285048377 /nfs/dbraw/zinc/04/83/77/1285048377.db2.gz VJCMJRMBKVNUNV-AWEZNQCLSA-N 0 1 371.445 0.485 20 30 FCEDMN Cc1cc(N2CCOC[C@H]2CNC(=O)C#CC(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592009461 1285056306 /nfs/dbraw/zinc/05/63/06/1285056306.db2.gz YIUUYGWUVKEPMW-CQSZACIVSA-N 0 1 369.429 0.551 20 30 FCEDMN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010270 1285058492 /nfs/dbraw/zinc/05/84/92/1285058492.db2.gz SHJXAIACPFPKQM-IAQYHMDHSA-N 0 1 351.414 0.924 20 30 FCEDMN Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036570 1285080510 /nfs/dbraw/zinc/08/05/10/1285080510.db2.gz ZTXWFLMWNDHMJP-OCCSQVGLSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC001592335201 1285244232 /nfs/dbraw/zinc/24/42/32/1285244232.db2.gz OTKFHNLYMSINGJ-GXSJLCMTSA-N 0 1 371.405 0.648 20 30 FCEDMN Cc1csc2nc(Cn3c(C)nc(-c4nn[nH]n4)c3C#N)cc(=O)n12 ZINC001592335779 1285244947 /nfs/dbraw/zinc/24/49/47/1285244947.db2.gz ZVYUKZQNWKFKHF-UHFFFAOYSA-N 0 1 353.371 0.669 20 30 FCEDMN Cn1cc([C@H](O)C[C@@H]2CCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 ZINC001592567733 1285482104 /nfs/dbraw/zinc/48/21/04/1285482104.db2.gz OQYYAASKYFQJEV-WCQYABFASA-N 0 1 366.389 0.354 20 30 FCEDMN N#CC(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(=O)OCC1CC1 ZINC001592667165 1285562902 /nfs/dbraw/zinc/56/29/02/1285562902.db2.gz VFKJLHCFVHKOIO-CQSZACIVSA-N 0 1 354.370 0.618 20 30 FCEDMN N#CCSCC(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001592679362 1285577122 /nfs/dbraw/zinc/57/71/22/1285577122.db2.gz OJWLYRIBMBJDAF-UHFFFAOYSA-N 0 1 372.458 0.851 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592768670 1285692958 /nfs/dbraw/zinc/69/29/58/1285692958.db2.gz OJZMGEJDNAUVJJ-KGLIPLIRSA-N 0 1 351.414 0.936 20 30 FCEDMN CS(=O)(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cn1 ZINC001596435923 1286300255 /nfs/dbraw/zinc/30/02/55/1286300255.db2.gz WUEYVEHKFPWMOI-UHFFFAOYSA-N 0 1 371.378 0.924 20 30 FCEDMN O=C([O-])[C@]1(O)CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001601304883 1286717714 /nfs/dbraw/zinc/71/77/14/1286717714.db2.gz XHAZTAHFDIOBJP-INIZCTEOSA-N 0 1 370.327 0.695 20 30 FCEDMN COc1ccc(-c2nnc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)o2)cc1 ZINC001609349498 1289112860 /nfs/dbraw/zinc/11/28/60/1289112860.db2.gz NXZQHMNZZQOEPN-UHFFFAOYSA-N 0 1 364.329 0.624 20 30 FCEDMN C#C[C@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CC=C)C1 ZINC001602696185 1287060130 /nfs/dbraw/zinc/06/01/30/1287060130.db2.gz DRKVZJFOSSQTCZ-NSHDSACASA-N 0 1 350.390 0.884 20 30 FCEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001602697580 1287061198 /nfs/dbraw/zinc/06/11/98/1287061198.db2.gz OOAPKRNYWCBCOU-GXTWGEPZSA-N 0 1 350.386 0.770 20 30 FCEDMN C#CCCCC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703801 1287064128 /nfs/dbraw/zinc/06/41/28/1287064128.db2.gz FQWOJDUKZOFRPS-QWHCGFSZSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCN1CCC(NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 ZINC001602712594 1287070104 /nfs/dbraw/zinc/07/01/04/1287070104.db2.gz PGMRVLBUQGYOTM-UHFFFAOYSA-N 0 1 361.431 0.028 20 30 FCEDMN C#CCN[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001602722592 1287079794 /nfs/dbraw/zinc/07/97/94/1287079794.db2.gz ZWHPCGGFORWUCG-PWSUYJOCSA-N 0 1 367.335 0.811 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001602724082 1287080003 /nfs/dbraw/zinc/08/00/03/1287080003.db2.gz ANJGCQFZPBOTLZ-LLVKDONJSA-N 0 1 371.401 0.419 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602724811 1287083855 /nfs/dbraw/zinc/08/38/55/1287083855.db2.gz HBARQEXSRNXZCT-ZDUSSCGKSA-N 0 1 357.418 0.291 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602726087 1287086744 /nfs/dbraw/zinc/08/67/44/1287086744.db2.gz OVWPWUXJRTVOPO-SCLBCKFNSA-N 0 1 369.429 0.693 20 30 FCEDMN C#Cc1cncc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001602743203 1287102996 /nfs/dbraw/zinc/10/29/96/1287102996.db2.gz SQDUEYLTFFQJFI-HNNXBMFYSA-N 0 1 374.408 0.777 20 30 FCEDMN C#Cc1ccccc1CC(=O)NC/C=C\CNc1ccncc1-c1nn[nH]n1 ZINC001602742855 1287103546 /nfs/dbraw/zinc/10/35/46/1287103546.db2.gz MBVAYMOSPCLJAK-WAYWQWQTSA-N 0 1 373.420 0.992 20 30 FCEDMN C=C(C)CCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 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675599940 /nfs/dbraw/zinc/59/99/40/675599940.db2.gz GMSFOFPPHYFOGK-MXWKQRLJSA-N 0 1 355.851 0.428 20 30 FCEDMN C[C@H]1CCCN1CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O ZINC001044539050 675637361 /nfs/dbraw/zinc/63/73/61/675637361.db2.gz WDYKBOHSSQGGTJ-WCQGTBRESA-N 0 1 369.878 0.818 20 30 FCEDMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@@H]2O)C1 ZINC001044548382 675637688 /nfs/dbraw/zinc/63/76/88/675637688.db2.gz ZANVKVOGLZGWNK-MXWKQRLJSA-N 0 1 369.878 0.676 20 30 FCEDMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)c1nc(-c2cccc(C#N)c2)no1 ZINC001211969166 1192188067 /nfs/dbraw/zinc/18/80/67/1192188067.db2.gz VDJDFLKFTLFAAI-FZMZJTMJSA-N 0 1 368.397 0.735 20 30 FCEDMN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000988530604 1192259145 /nfs/dbraw/zinc/25/91/45/1192259145.db2.gz GKGOBLOTXITQDR-UKRRQHHQSA-N 0 1 359.386 0.862 20 30 FCEDMN C#Cc1cncc(C(=O)N2CCO[C@@H]3CN([C@@H]4CCCN(C)C4=O)C[C@@H]32)c1 ZINC001083188537 1167905840 /nfs/dbraw/zinc/90/58/40/1167905840.db2.gz 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FCEDMN C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000970419228 1168847404 /nfs/dbraw/zinc/84/74/04/1168847404.db2.gz ZDNFFXSCLGNEQS-AFAVFJNCSA-N 0 1 356.426 0.528 20 30 FCEDMN C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)[C@@H]3C2)c1 ZINC001021242458 1168859045 /nfs/dbraw/zinc/85/90/45/1168859045.db2.gz ZSOFPCJLIMLPIM-RYQLBKOJSA-N 0 1 352.438 0.830 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](O)C1 ZINC000970523022 1169032068 /nfs/dbraw/zinc/03/20/68/1169032068.db2.gz JKVVERWIAZWIGF-OJLVUWQFSA-N 0 1 370.409 0.456 20 30 FCEDMN N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)CCc4nc[nH]n4)[C@@H]3C2)c[nH]1 ZINC001021332832 1169066175 /nfs/dbraw/zinc/06/61/75/1169066175.db2.gz SYVHLWPLSJKUPP-SMDDNHRTSA-N 0 1 353.386 0.310 20 30 FCEDMN C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc4nn[n-]c4n3)[C@H]2C)C1=O ZINC001088607844 1192368174 /nfs/dbraw/zinc/36/81/74/1192368174.db2.gz UPGANXWPYJHCIB-XUJVJEKNSA-N 0 1 369.429 0.332 20 30 FCEDMN 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/nfs/dbraw/zinc/81/60/16/1170816016.db2.gz NRXGCDLEGKMICJ-BBWFWOEESA-N 0 1 356.426 0.389 20 30 FCEDMN C#CCCN1C[C@H]2OCCN(C(=O)c3cnn4cccc(OC)c34)[C@H]2C1 ZINC001083225957 1170869680 /nfs/dbraw/zinc/86/96/80/1170869680.db2.gz XSNRWWZCYLUTHZ-DOTOQJQBSA-N 0 1 354.410 0.891 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1c1cnn(C)c1 ZINC001691278969 1171025260 /nfs/dbraw/zinc/02/52/60/1171025260.db2.gz WTPGWNCNHNSENY-VNQPRFMTSA-N 0 1 363.462 0.031 20 30 FCEDMN N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)CCc4cnc[nH]4)C[C@H]32)[nH]1 ZINC000971851235 1171045613 /nfs/dbraw/zinc/04/56/13/1171045613.db2.gz NAUQTUQSTNCVSR-MLGOLLRUSA-N 0 1 352.398 0.915 20 30 FCEDMN C#CCN1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)CC1 ZINC001022438674 1171073698 /nfs/dbraw/zinc/07/36/98/1171073698.db2.gz UYEZLZLKSCOKPQ-NTZUZEMLSA-N 0 1 371.481 0.283 20 30 FCEDMN N#CC1(C(=O)N2CC3(C2)CCN(C(=O)c2ccn[nH]2)CC3)CCOCC1 ZINC001272106202 1192478540 /nfs/dbraw/zinc/47/85/40/1192478540.db2.gz QORMYIXJRWJCMV-UHFFFAOYSA-N 0 1 357.414 0.795 20 30 FCEDMN C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCN4C)C[C@H]32)nn1 ZINC000972221949 1171864968 /nfs/dbraw/zinc/86/49/68/1171864968.db2.gz KGRQFUXSXHOOCQ-FVQBIDKESA-N 0 1 358.446 0.231 20 30 FCEDMN C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)CCc4cnc[nH]4)C[C@H]32)nn1 ZINC000972222311 1171865434 /nfs/dbraw/zinc/86/54/34/1171865434.db2.gz QTVUMMOWPPLZLT-CZUORRHYSA-N 0 1 369.429 0.493 20 30 FCEDMN C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001022778010 1171920623 /nfs/dbraw/zinc/92/06/23/1171920623.db2.gz YAGNJZFZRALWTJ-DZGCQCFKSA-N 0 1 354.414 0.708 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001022843557 1172053309 /nfs/dbraw/zinc/05/33/09/1172053309.db2.gz QHGHRBVHDXSDJU-SCNOPHJPSA-N 0 1 358.442 0.993 20 30 FCEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2cocn2)C[C@H]1c1ccccc1 ZINC001211559366 1172091707 /nfs/dbraw/zinc/09/17/07/1172091707.db2.gz BHVWKLCUOVINEV-LSDHHAIUSA-N 0 1 353.382 0.512 20 30 FCEDMN Cc1nn[nH]c1C(=O)N1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001272121329 1192505796 /nfs/dbraw/zinc/50/57/96/1192505796.db2.gz DKHPDXYEAQVLJK-UHFFFAOYSA-N 0 1 355.358 0.476 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C)cn1 ZINC000989158440 1192713292 /nfs/dbraw/zinc/71/32/92/1192713292.db2.gz ACGJDNNEEPLFHX-DOMZBBRYSA-N 0 1 352.398 0.533 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cccc(=O)[nH]3)C[C@@H]2C1 ZINC001691547646 1192868666 /nfs/dbraw/zinc/86/86/66/1192868666.db2.gz JXUALOVIYKRIQC-ZNMIVQPWSA-N 0 1 358.442 0.872 20 30 FCEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001691557486 1192874973 /nfs/dbraw/zinc/87/49/73/1192874973.db2.gz ZSGUYQFSQGFHJX-JKSUJKDBSA-N 0 1 366.487 0.153 20 30 FCEDMN CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001212109393 1192882939 /nfs/dbraw/zinc/88/29/39/1192882939.db2.gz JVWHIXVEIFQEPM-IAGOWNOFSA-N 0 1 371.416 0.744 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCO[C@@H]3CN([C@@H](C)c4n[nH]c(C)n4)C[C@@H]32)cn1 ZINC001083252889 1178852432 /nfs/dbraw/zinc/85/24/32/1178852432.db2.gz LKOUVIBLTDLTNA-AFAVFJNCSA-N 0 1 366.425 0.776 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC(=O)N(C)C)C1 ZINC001211586160 1179147976 /nfs/dbraw/zinc/14/79/76/1179147976.db2.gz GSXVNZFGQWSARO-SQGPQFPESA-N 0 1 359.470 0.986 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@H]1c1ccccc1 ZINC001211598858 1179391509 /nfs/dbraw/zinc/39/15/09/1179391509.db2.gz MDDFIPLZVMCREG-NZSAHSFTSA-N 0 1 367.449 0.358 20 30 FCEDMN CN1CCN(C)[C@H](CNC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000329481586 1179453837 /nfs/dbraw/zinc/45/38/37/1179453837.db2.gz RFIIXNIJXFFDHO-QGZVFWFLSA-N 0 1 365.522 0.871 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC(=O)NC2CC2)C1 ZINC001211601466 1179574164 /nfs/dbraw/zinc/57/41/64/1179574164.db2.gz UFIZBFAFGDSXJR-RBUKOAKNSA-N 0 1 369.465 0.889 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCc4c[nH]nc43)C[C@H]2O)[nH]1 ZINC001023433316 1179723817 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/nfs/dbraw/zinc/36/55/22/1201365522.db2.gz SVZJRAZGVWAARU-OAGGEKHMSA-N 0 1 362.478 0.748 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@@H]1n1ccnn1 ZINC001129650419 1201366906 /nfs/dbraw/zinc/36/69/06/1201366906.db2.gz FQMGTSKLJRZLRY-IUKAPHAASA-N 0 1 358.446 0.114 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001129681439 1201369020 /nfs/dbraw/zinc/36/90/20/1201369020.db2.gz RFMBMHAGSKSOPD-YUTCNCBUSA-N 0 1 360.422 0.010 20 30 FCEDMN CCC(CC)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129690408 1201370795 /nfs/dbraw/zinc/37/07/95/1201370795.db2.gz IZLLMGGPFNIHPV-CFVMTHIKSA-N 0 1 361.450 0.084 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129677372 1201375841 /nfs/dbraw/zinc/37/58/41/1201375841.db2.gz FWOCKAOILMYBBM-XHSDSOJGSA-N 0 1 362.478 0.747 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001129708745 1201382762 /nfs/dbraw/zinc/38/27/62/1201382762.db2.gz XBHHQTKNZYTZOH-OAGGEKHMSA-N 0 1 360.462 0.051 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](NCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129756862 1201384411 /nfs/dbraw/zinc/38/44/11/1201384411.db2.gz KWJDURVXFLVCQX-SJORKVTESA-N 0 1 355.446 0.747 20 30 FCEDMN CCC(=CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1)CC ZINC001129742260 1201387556 /nfs/dbraw/zinc/38/75/56/1201387556.db2.gz RPUUFZZIWRGLSR-CABCVRRESA-N 0 1 359.434 0.006 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CCCC)C[C@@H]1n1ccnn1 ZINC001129807643 1201398877 /nfs/dbraw/zinc/39/88/77/1201398877.db2.gz POIVNYDSTSOHME-OAGGEKHMSA-N 0 1 360.462 0.195 20 30 FCEDMN CCCNC(=O)CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129822051 1201400661 /nfs/dbraw/zinc/40/06/61/1201400661.db2.gz CJMSHLFEDAZYPA-CABCVRRESA-N 0 1 360.462 0.195 20 30 FCEDMN Cc1nc([C@H](C)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)n[nH]1 ZINC001129822021 1201400849 /nfs/dbraw/zinc/40/08/49/1201400849.db2.gz AYSPNPWBQZQDAB-CFVMTHIKSA-N 0 1 356.434 0.467 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001129829999 1201403467 /nfs/dbraw/zinc/40/34/67/1201403467.db2.gz RRHFRTVHNDLCOM-JQHSSLGASA-N 0 1 368.441 0.562 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1n1ccnn1 ZINC001129845816 1201404429 /nfs/dbraw/zinc/40/44/29/1201404429.db2.gz VPZFFXMLNGENCY-MSOLQXFVSA-N 0 1 368.441 0.216 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@@H]1n1ccnn1 ZINC001129845062 1201404514 /nfs/dbraw/zinc/40/45/14/1201404514.db2.gz LNNRKXPXVMIDHR-SJORKVTESA-N 0 1 371.445 0.108 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1n1ccnn1 ZINC001129855462 1201405559 /nfs/dbraw/zinc/40/55/59/1201405559.db2.gz LZYVJIDDOOXZCP-MLHJIOFPSA-N 0 1 350.426 0.842 20 30 FCEDMN C#CCCOc1ccc(C(=O)N2C[C@@H](NCC#C)[C@@H](n3ccnn3)C2)cc1 ZINC001129838033 1201410662 /nfs/dbraw/zinc/41/06/62/1201410662.db2.gz PLOUWHSPEFZLSY-MOPGFXCFSA-N 0 1 363.421 0.969 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@@H]1n1ccnn1 ZINC001129890480 1201414571 /nfs/dbraw/zinc/41/45/71/1201414571.db2.gz KLYMUJZUDWSSEP-SJORKVTESA-N 0 1 354.414 0.751 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@@H]1n1ccnn1 ZINC001129874503 1201418615 /nfs/dbraw/zinc/41/86/15/1201418615.db2.gz ISWFWLDCIXIYLB-CVEARBPZSA-N 0 1 353.430 0.568 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@@H]1n1ccnn1 ZINC001129876304 1201419310 /nfs/dbraw/zinc/41/93/10/1201419310.db2.gz KAZVHWUFAWDUHL-CABCVRRESA-N 0 1 358.402 0.272 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@@H]1n1ccnn1 ZINC001129910569 1201423422 /nfs/dbraw/zinc/42/34/22/1201423422.db2.gz ZAMDYKAQNQAQKO-ISXWCOSWSA-N 0 1 357.458 0.850 20 30 FCEDMN C#CCC1(C(=O)N2C[C@@H](NCc3cncn3C)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894773 1201428668 /nfs/dbraw/zinc/42/86/68/1201428668.db2.gz RZWVHFXQOUTSNC-SJORKVTESA-N 0 1 367.457 0.747 20 30 FCEDMN C#CCC1(C(=O)N2C[C@@H](N[C@H]3CCN(C)C3=O)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894760 1201428751 /nfs/dbraw/zinc/42/87/51/1201428751.db2.gz RIDKBFRWHDZZDK-XHSDSOJGSA-N 0 1 370.457 0.044 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129898583 1201432265 /nfs/dbraw/zinc/43/22/65/1201432265.db2.gz YBAMPDKGHVLPKW-MSOLQXFVSA-N 0 1 368.441 0.216 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129938241 1201437687 /nfs/dbraw/zinc/43/76/87/1201437687.db2.gz SWSDFDVODLOUTC-FJIDUMEYSA-N 0 1 357.458 0.706 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129918743 1201441105 /nfs/dbraw/zinc/44/11/05/1201441105.db2.gz HTGNOCZZLOZZHC-BBWFWOEESA-N 0 1 361.446 0.229 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@@H]1n1ccnn1 ZINC001129930483 1201446276 /nfs/dbraw/zinc/44/62/76/1201446276.db2.gz JJHLFMXUODPNCT-SJORKVTESA-N 0 1 361.409 0.900 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](N[C@H](CCCC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129959314 1201451377 /nfs/dbraw/zinc/45/13/77/1201451377.db2.gz QJCGUQAOOOCSEH-KFWWJZLASA-N 0 1 362.478 0.876 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCC(=O)NCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129959457 1201451382 /nfs/dbraw/zinc/45/13/82/1201451382.db2.gz XXRJPZYACXUYRW-CABCVRRESA-N 0 1 362.478 0.604 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@@H]1n1ccnn1 ZINC001129959179 1201451394 /nfs/dbraw/zinc/45/13/94/1201451394.db2.gz LOEJIAMRCQXDKE-RVKKMQEKSA-N 0 1 358.446 0.278 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129945416 1201453941 /nfs/dbraw/zinc/45/39/41/1201453941.db2.gz MKNDSWSPGQQDNR-IMJJTQAJSA-N 0 1 369.429 0.184 20 30 FCEDMN C=C1CCC(C(=O)N2C[C@@H](N[C@@H](C)C(=O)NC)[C@@H](n3ccnn3)C2)CC1 ZINC001129994272 1201464366 /nfs/dbraw/zinc/46/43/66/1201464366.db2.gz DUVYHUURTYFDMU-IMJJTQAJSA-N 0 1 360.462 0.501 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](NCC(=O)NCCC)[C@@H](n3ccnn3)C2)C1 ZINC001129997657 1201465743 /nfs/dbraw/zinc/46/57/43/1201465743.db2.gz WQDUWKOJYFDETR-CABCVRRESA-N 0 1 360.462 0.502 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2occc2C)C[C@@H]1n1ccnn1 ZINC001129999254 1201466630 /nfs/dbraw/zinc/46/66/30/1201466630.db2.gz SNDINSFCSLQQDX-CVEARBPZSA-N 0 1 357.414 0.414 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@@H]1n1ccnn1 ZINC001129997724 1201466714 /nfs/dbraw/zinc/46/67/14/1201466714.db2.gz YVZYLTLGGWMSAU-XHSDSOJGSA-N 0 1 370.457 0.114 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129988027 1201468688 /nfs/dbraw/zinc/46/86/88/1201468688.db2.gz DXFOCPPQFMXYIJ-SJORKVTESA-N 0 1 354.414 0.287 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](N[C@@H]2CCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129987053 1201469145 /nfs/dbraw/zinc/46/91/45/1201469145.db2.gz WARUCHNYBLHNFJ-OAGGEKHMSA-N 0 1 360.462 0.597 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@@H]1n1ccnn1 ZINC001130022841 1201474924 /nfs/dbraw/zinc/47/49/24/1201474924.db2.gz ORYINPVCRBLVPY-ZACQAIPSSA-N 0 1 371.445 0.117 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H](F)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130022697 1201475241 /nfs/dbraw/zinc/47/52/41/1201475241.db2.gz IYDXIOFMNBDMBP-SQNIBIBYSA-N 0 1 371.416 0.980 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@@H]1n1ccnn1 ZINC001130006204 1201476175 /nfs/dbraw/zinc/47/61/75/1201476175.db2.gz XRSRJNCBHAYGAW-CVEARBPZSA-N 0 1 364.413 0.238 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(CC)ncnc2CC)C[C@@H]1n1ccnn1 ZINC001130009265 1201477449 /nfs/dbraw/zinc/47/74/49/1201477449.db2.gz GAZLDYZBHRNCLR-SJORKVTESA-N 0 1 367.457 0.872 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@@H]1n1ccnn1 ZINC001130046295 1201485949 /nfs/dbraw/zinc/48/59/49/1201485949.db2.gz MAZMHGKISPSMES-MSOLQXFVSA-N 0 1 351.410 0.987 20 30 FCEDMN O=C(c1cnon1)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001130047809 1201486307 /nfs/dbraw/zinc/48/63/07/1201486307.db2.gz UTAPBADXTIBJMU-SJORKVTESA-N 0 1 363.381 0.368 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@@H]1n1ccnn1 ZINC001130070668 1201490677 /nfs/dbraw/zinc/49/06/77/1201490677.db2.gz DFMUVMKHWJQWNQ-KGLIPLIRSA-N 0 1 367.388 0.744 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)CCn2cccc2)C[C@@H]1n1ccnn1 ZINC001130057341 1201492202 /nfs/dbraw/zinc/49/22/02/1201492202.db2.gz WAHSGDIUPRZWFU-SJORKVTESA-N 0 1 356.430 0.161 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@@H]1n1ccnn1 ZINC001130077430 1201495589 /nfs/dbraw/zinc/49/55/89/1201495589.db2.gz ILQHHSRQQAXMDD-CABCVRRESA-N 0 1 364.413 0.308 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130079665 1201496847 /nfs/dbraw/zinc/49/68/47/1201496847.db2.gz VAWSLRPAMCBCFT-CABCVRRESA-N 0 1 355.446 0.977 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@@H]1n1ccnn1 ZINC001130105327 1201501997 /nfs/dbraw/zinc/50/19/97/1201501997.db2.gz WYEWYPZTPMOVBM-NXHRZFHOSA-N 0 1 350.426 0.453 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@@H]1n1ccnn1 ZINC001130112954 1201504911 /nfs/dbraw/zinc/50/49/11/1201504911.db2.gz VWLFPVBVJIDYHU-SJORKVTESA-N 0 1 360.462 0.339 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@@H]1n1ccnn1 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ZINC001047834409 1218187385 /nfs/dbraw/zinc/18/73/85/1218187385.db2.gz WPAJMZHTJLMVCP-TZMCWYRMSA-N 0 1 370.417 0.375 20 30 FCEDMN CCO[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001047865652 1218192659 /nfs/dbraw/zinc/19/26/59/1218192659.db2.gz UAFKGAKJJRFKNP-GDBMZVCRSA-N 0 1 358.446 0.719 20 30 FCEDMN N#Cc1ccc(N2CCN(CCCNC(=O)[C@]34C[C@H]3COC4)CC2)nc1 ZINC001096260856 1218199804 /nfs/dbraw/zinc/19/98/04/1218199804.db2.gz QIXNMVUVSPMCNF-LPHOPBHVSA-N 0 1 355.442 0.618 20 30 FCEDMN CCO[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1CNc1ccc(C#N)cn1 ZINC001047931055 1218202917 /nfs/dbraw/zinc/20/29/17/1218202917.db2.gz GJZIIQUHAXYCLT-UKRRQHHQSA-N 0 1 370.413 0.982 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)cn1 ZINC001096379040 1218282348 /nfs/dbraw/zinc/28/23/48/1218282348.db2.gz DHGOGHCPEFZMOD-YRXWBPOGSA-N 0 1 365.437 0.656 20 30 FCEDMN Cn1cc(CN2CCC3(CN(C(=O)c4ccn[nH]c4=O)C3)C2)cc1C#N ZINC001277038151 1225809042 /nfs/dbraw/zinc/80/90/42/1225809042.db2.gz JJDMCLAHXVRNQL-UHFFFAOYSA-N 0 1 352.398 0.740 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)CCN1c1ccc(C#N)nn1 ZINC001048755702 1218313009 /nfs/dbraw/zinc/31/30/09/1218313009.db2.gz SDGBNPPKONBRKN-HZUKXOBISA-N 0 1 366.429 0.745 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)CCN1c1ccc(C#N)nn1 ZINC001048755702 1218313015 /nfs/dbraw/zinc/31/30/15/1218313015.db2.gz SDGBNPPKONBRKN-HZUKXOBISA-N 0 1 366.429 0.745 20 30 FCEDMN C#CCN1CCN(C(=O)CNC2(C(=O)N(CC)CC)CCCCC2)CC1 ZINC000748816080 1218825800 /nfs/dbraw/zinc/82/58/00/1218825800.db2.gz CPPYOVZHZPYGEA-UHFFFAOYSA-N 0 1 362.518 0.925 20 30 FCEDMN C#CCN1CCN(C(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000748815955 1218825819 /nfs/dbraw/zinc/82/58/19/1218825819.db2.gz BFQYPVHELQPABD-UHFFFAOYSA-N 0 1 368.481 0.283 20 30 FCEDMN CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)cc2)NC1=O ZINC001097649443 1218833602 /nfs/dbraw/zinc/83/36/02/1218833602.db2.gz MPUVPXGDFSLKTI-VQHPVUNQSA-N 0 1 353.426 0.803 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(C)n3)C2)C1 ZINC001053804837 1218891734 /nfs/dbraw/zinc/89/17/34/1218891734.db2.gz HFALZIQUPNSMAE-KFWWJZLASA-N 0 1 361.446 0.554 20 30 FCEDMN CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NC(=O)N(C)C2)C3)n1 ZINC001055185428 1219010764 /nfs/dbraw/zinc/01/07/64/1219010764.db2.gz NBZBOAFLYJUDHF-DYEKYZERSA-N 0 1 367.413 0.889 20 30 FCEDMN CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2nnc[nH]2)C3)n1 ZINC001055385667 1219039405 /nfs/dbraw/zinc/03/94/05/1219039405.db2.gz WLAOSTBVRRTQKE-UPJWGTAASA-N 0 1 352.402 0.497 20 30 FCEDMN N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCc4n[nH]nc42)C3)n1 ZINC001055438386 1219048162 /nfs/dbraw/zinc/04/81/62/1219048162.db2.gz DNQLXMMVPUUAFG-GBOPCIDUSA-N 0 1 364.413 0.812 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)c2n[nH]c(C)n2)nn1 ZINC001097999404 1219067070 /nfs/dbraw/zinc/06/70/70/1219067070.db2.gz UTSAKMMHACVHMI-ZGFBFQLVSA-N 0 1 356.434 0.987 20 30 FCEDMN C=CCOCC(=O)NCCN1CCC(NC(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001055544134 1219074357 /nfs/dbraw/zinc/07/43/57/1219074357.db2.gz NQYMQQSYJYXATB-SJORKVTESA-N 0 1 365.474 0.477 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCN1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055567625 1219082009 /nfs/dbraw/zinc/08/20/09/1219082009.db2.gz JEIMOIGOSUSKHU-KYNGSXCRSA-N 0 1 365.474 0.047 20 30 FCEDMN C#CCOCCC(=O)NCCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055575469 1219084681 /nfs/dbraw/zinc/08/46/81/1219084681.db2.gz FHDKLYKMFGFRGC-ZWKOTPCHSA-N 0 1 361.486 0.769 20 30 FCEDMN CN1CC(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(C#N)cn2)C3)=NC1=O ZINC001055575950 1219084704 /nfs/dbraw/zinc/08/47/04/1219084704.db2.gz CMIBRWIRMHEYND-GTNSWQLSSA-N 0 1 353.386 0.576 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCN1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055577582 1219085315 /nfs/dbraw/zinc/08/53/15/1219085315.db2.gz OSJBLQHOTVLXNP-HLLBOEOZSA-N 0 1 365.474 0.289 20 30 FCEDMN C=C(C)CN1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070078085 1219146663 /nfs/dbraw/zinc/14/66/63/1219146663.db2.gz UYKFWTNTBVWNBA-WBVHZDCISA-N 0 1 355.446 0.971 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2ccc(=O)n(CCC)n2)[C@@H](n2ccnn2)C1 ZINC001070093758 1219162764 /nfs/dbraw/zinc/16/27/64/1219162764.db2.gz FOKMGTOEPXTSHR-CVEARBPZSA-N 0 1 371.445 0.476 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001070093848 1219164557 /nfs/dbraw/zinc/16/45/57/1219164557.db2.gz JVNIFCGLVLCGRQ-CVEARBPZSA-N 0 1 354.414 0.608 20 30 FCEDMN C#CCC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)CCC1 ZINC001070114256 1219188314 /nfs/dbraw/zinc/18/83/14/1219188314.db2.gz HWBDCGXKHGFLPR-ZIAGYGMSSA-N 0 1 363.414 0.627 20 30 FCEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2n2ccnn2)C1=O ZINC001070126899 1219199443 /nfs/dbraw/zinc/19/94/43/1219199443.db2.gz XIFCMGSETXHBSC-ZNMIVQPWSA-N 0 1 370.413 0.313 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H](NCc2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070159615 1219247502 /nfs/dbraw/zinc/24/75/02/1219247502.db2.gz KQNFCPGNKUHLKD-IMJJTQAJSA-N 0 1 368.445 0.440 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H](NCc2cnn(C(C)(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070161025 1219250339 /nfs/dbraw/zinc/25/03/39/1219250339.db2.gz QRRMTQRLBCDWTC-IMJJTQAJSA-N 0 1 370.461 0.931 20 30 FCEDMN Cn1nccc1CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 ZINC001070176756 1219268636 /nfs/dbraw/zinc/26/86/36/1219268636.db2.gz QGPFSAVVBWCPSU-CVEARBPZSA-N 0 1 365.401 0.067 20 30 FCEDMN N#Cc1cccc(CN[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2n2ccnn2)c1 ZINC001070190963 1219282624 /nfs/dbraw/zinc/28/26/24/1219282624.db2.gz REWMRSFORBKBBN-CVEARBPZSA-N 0 1 362.397 0.728 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cn([C@H](C)COC)nc2C)C[C@@H]1n1ccnn1 ZINC001070194845 1219286588 /nfs/dbraw/zinc/28/65/88/1219286588.db2.gz PYEVERFLGVVFBP-XYPHTWIQSA-N 0 1 371.445 0.279 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001070197251 1219287610 /nfs/dbraw/zinc/28/76/10/1219287610.db2.gz WQHGRWUWSBDMRT-IMJJTQAJSA-N 0 1 357.389 0.859 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)C[C@@H]1n1ccnn1 ZINC001070201329 1219289946 /nfs/dbraw/zinc/28/99/46/1219289946.db2.gz NRWVQSSLGPRQIT-PWSUYJOCSA-N 0 1 367.335 0.319 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(C3CC3)nn2CC)C[C@@H]1n1ccnn1 ZINC001070215370 1219298275 /nfs/dbraw/zinc/29/82/75/1219298275.db2.gz UPCRIUWGJHZZTK-WBVHZDCISA-N 0 1 353.430 0.660 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnn(C)c2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070226130 1219305996 /nfs/dbraw/zinc/30/59/96/1219305996.db2.gz QHORPHOGFFSYRA-NEPJUHHUSA-N 0 1 367.335 0.319 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2ccc(NC(C)=O)cc2)C[C@@H]1n1ccnn1 ZINC001070228086 1219307792 /nfs/dbraw/zinc/30/77/92/1219307792.db2.gz GLPXSRGMHCYTCP-MSOLQXFVSA-N 0 1 366.425 0.454 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@@H]1n1ccnn1 ZINC001070231984 1219309692 /nfs/dbraw/zinc/30/96/92/1219309692.db2.gz YZOKDMJLAMQYOL-MSOLQXFVSA-N 0 1 353.426 0.894 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@@H]1n1ccnn1 ZINC001070246453 1219316484 /nfs/dbraw/zinc/31/64/84/1219316484.db2.gz YSSXPDFLGROPSD-KGLIPLIRSA-N 0 1 352.354 0.815 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070247097 1219316626 /nfs/dbraw/zinc/31/66/26/1219316626.db2.gz BCWFMHCJFJZUFP-SQNIBIBYSA-N 0 1 351.410 0.567 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](N[C@H](CC)C(N)=O)[C@@H](n3ccnn3)C2)cc1 ZINC001070248054 1219318806 /nfs/dbraw/zinc/31/88/06/1219318806.db2.gz MCPBTDRZCRKXEX-ZACQAIPSSA-N 0 1 366.425 0.179 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)c2[nH]ncc2F)CCOCC1 ZINC001070259698 1219329426 /nfs/dbraw/zinc/32/94/26/1219329426.db2.gz AYJVKNABAIZXDS-YPMHNXCESA-N 0 1 366.393 0.535 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)F)C2)C[C@@H]1n1ccnn1 ZINC001070260261 1219330700 /nfs/dbraw/zinc/33/07/00/1219330700.db2.gz ACYIYRHPIYTTSQ-KFWWJZLASA-N 0 1 366.416 0.230 20 30 FCEDMN N#CCN[C@@H]1CN(C(=O)c2nnc3ccccc3c2O)C[C@@H]1n1ccnn1 ZINC001070286850 1219351110 /nfs/dbraw/zinc/35/11/10/1219351110.db2.gz DDQIMOPRWSNKQS-KGLIPLIRSA-N 0 1 364.369 0.106 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@@H]1n1ccnn1 ZINC001070286899 1219351477 /nfs/dbraw/zinc/35/14/77/1219351477.db2.gz FZLFLZBHIPRIQQ-CVEARBPZSA-N 0 1 362.397 0.147 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(CCC)[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070290619 1219352631 /nfs/dbraw/zinc/35/26/31/1219352631.db2.gz HJNURCMQAORNFV-CVEARBPZSA-N 0 1 354.414 0.620 20 30 FCEDMN N#Cc1cccc(CN[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2n2ccnn2)c1 ZINC001070297516 1219356669 /nfs/dbraw/zinc/35/66/69/1219356669.db2.gz AJMAYDQSRZQAAL-CABCVRRESA-N 0 1 363.385 0.123 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c(C)nn(CCC)c2C)C[C@@H]1n1ccnn1 ZINC001070308257 1219366092 /nfs/dbraw/zinc/36/60/92/1219366092.db2.gz JQNMRIYFOZURED-CVEARBPZSA-N 0 1 355.446 0.790 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c(C(F)(F)F)cnn2C)C[C@@H]1n1ccnn1 ZINC001070319773 1219373547 /nfs/dbraw/zinc/37/35/47/1219373547.db2.gz FUBTXPBTKMMPNP-NEPJUHHUSA-N 0 1 367.335 0.319 20 30 FCEDMN 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RUTBFDRNXNTPRI-IIYDPXPESA-N 0 1 352.435 0.536 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCc2c[nH]nn2)CCO1 ZINC001575246185 1271850360 /nfs/dbraw/zinc/85/03/60/1271850360.db2.gz LGDBMAIGJWOLSU-OAHLLOKOSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CCO1 ZINC001575246185 1271850376 /nfs/dbraw/zinc/85/03/76/1271850376.db2.gz LGDBMAIGJWOLSU-OAHLLOKOSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCc1cn[nH]n1 ZINC001575317562 1271916000 /nfs/dbraw/zinc/91/60/00/1271916000.db2.gz AGSSGKPDIBYJSG-HOCLYGCPSA-N 0 1 360.462 0.392 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575318485 1271919088 /nfs/dbraw/zinc/91/90/88/1271919088.db2.gz KGXOAJVMCURVNK-AWEZNQCLSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@H](CN(C)C(=O)[C@H](C)OCc1c[nH]nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001575556235 1272194906 /nfs/dbraw/zinc/19/49/06/1272194906.db2.gz WLGCAEAFOFAGDQ-MNOVXSKESA-N 0 1 359.390 0.186 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)[C@H](CNC(=O)C#CC1CC1)C1CC1 ZINC001575717823 1272365901 /nfs/dbraw/zinc/36/59/01/1272365901.db2.gz GEAIZXXNFJGACK-BLLLJJGKSA-N 0 1 359.430 0.476 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](CN(C)c2cncc(C#N)n2)C1 ZINC001575743792 1272413339 /nfs/dbraw/zinc/41/33/39/1272413339.db2.gz WQFFWUHKWYNLMM-OLZOCXBDSA-N 0 1 370.417 0.356 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001575827748 1272492767 /nfs/dbraw/zinc/49/27/67/1272492767.db2.gz QYDRUHDEJJHNRI-QWHCGFSZSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC1(C)CCN(c2ccc(C#N)nn2)CC1 ZINC001575841918 1272513900 /nfs/dbraw/zinc/51/39/00/1272513900.db2.gz CQRJJLWJJCJLJG-GFCCVEGCSA-N 0 1 370.417 0.547 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 ZINC001575855976 1272528985 /nfs/dbraw/zinc/52/89/85/1272528985.db2.gz XOANOBVPJDYLAJ-QMTHXVAHSA-N 0 1 356.390 0.378 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001575862658 1272534618 /nfs/dbraw/zinc/53/46/18/1272534618.db2.gz MYYQBNBGJXVSAG-LBPRGKRZSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1CC[C@H](Nc2cncc(C#N)n2)CC1 ZINC001575886950 1272547864 /nfs/dbraw/zinc/54/78/64/1272547864.db2.gz GVLSNZXXKIWNGW-JHJVBQTASA-N 0 1 370.417 0.911 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001575889173 1272549875 /nfs/dbraw/zinc/54/98/75/1272549875.db2.gz OOUFNOKEYSLBGE-QOWREQOWSA-N 0 1 368.401 0.298 20 30 FCEDMN CC1(C)CN(C(=O)CCOCc2c[nH]nn2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001575951019 1272589970 /nfs/dbraw/zinc/58/99/70/1272589970.db2.gz GNVGCMLGZRFQHD-INIZCTEOSA-N 0 1 373.457 0.868 20 30 FCEDMN C[C@]1(NC(=O)CCOCc2c[nH]nn2)CCN(C(=O)CSCC#N)C1 ZINC001575997494 1272672493 /nfs/dbraw/zinc/67/24/93/1272672493.db2.gz BALMRNJBBWMDCU-HNNXBMFYSA-N 0 1 366.447 0.075 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCCc1c[nH]nn1 ZINC001576021869 1272722532 /nfs/dbraw/zinc/72/25/32/1272722532.db2.gz AUKDKMKGVMTZKT-FZMZJTMJSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCCc1cnn[nH]1 ZINC001576021869 1272722538 /nfs/dbraw/zinc/72/25/38/1272722538.db2.gz AUKDKMKGVMTZKT-FZMZJTMJSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)CCN1C(=O)C#CC1CC1 ZINC001576025991 1272729391 /nfs/dbraw/zinc/72/93/91/1272729391.db2.gz JILSVJSYFIWORM-WFASDCNBSA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127567 1272924719 /nfs/dbraw/zinc/92/47/19/1272924719.db2.gz XUNLNCBUTVGASA-MLGOLLRUSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127567 1272924723 /nfs/dbraw/zinc/92/47/23/1272924723.db2.gz XUNLNCBUTVGASA-MLGOLLRUSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001576129018 1272929310 /nfs/dbraw/zinc/92/93/10/1272929310.db2.gz FQSJEJLZKRNCLC-TZMCWYRMSA-N 0 1 369.429 0.852 20 30 FCEDMN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001576129018 1272929316 /nfs/dbraw/zinc/92/93/16/1272929316.db2.gz FQSJEJLZKRNCLC-TZMCWYRMSA-N 0 1 369.429 0.852 20 30 FCEDMN CC[C@@H](CNC(=O)CCOCc1c[nH]nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001576245228 1273024650 /nfs/dbraw/zinc/02/46/50/1273024650.db2.gz HNUDZXASAVUDKR-LBPRGKRZSA-N 0 1 359.390 0.236 20 30 FCEDMN CC[C@@H](CNC(=O)c1ccc(-c2c[nH]nn2)nc1)NC(=O)CSCC#N ZINC001576253820 1273034410 /nfs/dbraw/zinc/03/44/10/1273034410.db2.gz LPGPDGBWXCQKAD-LBPRGKRZSA-N 0 1 373.442 0.748 20 30 FCEDMN CCCN(CCNC(=O)c1ccc(C#N)[nH]1)[C@@H](C)C(=O)NCc1cn[nH]n1 ZINC001576480283 1273318099 /nfs/dbraw/zinc/31/80/99/1273318099.db2.gz OJRAWXWIHGGUHE-LBPRGKRZSA-N 0 1 372.433 0.151 20 30 FCEDMN CCN(CCCNC(=O)[C@H](C)OCc1c[nH]nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001576521893 1273408438 /nfs/dbraw/zinc/40/84/38/1273408438.db2.gz JXHHXZJGUNZPJI-LBPRGKRZSA-N 0 1 373.417 0.578 20 30 FCEDMN CCC(CC)C(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001576726847 1273595790 /nfs/dbraw/zinc/59/57/90/1273595790.db2.gz UIXKUAGWEPWJGI-UHFFFAOYSA-N 0 1 355.406 0.613 20 30 FCEDMN CN(CCCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1cncc(C#N)n1 ZINC001576803425 1273708740 /nfs/dbraw/zinc/70/87/40/1273708740.db2.gz GDFKNVFRILCXMQ-HNNXBMFYSA-N 0 1 369.433 0.073 20 30 FCEDMN CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576885469 1273877530 /nfs/dbraw/zinc/87/75/30/1273877530.db2.gz GRWVFJWVUMIUNO-NSHDSACASA-N 0 1 365.401 0.812 20 30 FCEDMN COCCCC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001576988807 1274017992 /nfs/dbraw/zinc/01/79/92/1274017992.db2.gz URNINIGWFUKJLC-CYBMUJFWSA-N 0 1 362.434 0.711 20 30 FCEDMN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC001577093615 1274152851 /nfs/dbraw/zinc/15/28/51/1274152851.db2.gz UQSOBKGTUGIESK-UMVBOHGHSA-N 0 1 350.444 0.650 20 30 FCEDMN CSCC(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](C)C#N)CC1 ZINC001577119434 1274174011 /nfs/dbraw/zinc/17/40/11/1274174011.db2.gz UCQFTWUYXBYDIH-NSHDSACASA-N 0 1 350.448 0.647 20 30 FCEDMN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001577162615 1274207772 /nfs/dbraw/zinc/20/77/72/1274207772.db2.gz ZGYBHTHTMLHHNR-TZMCWYRMSA-N 0 1 369.429 0.852 20 30 FCEDMN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001577162615 1274207781 /nfs/dbraw/zinc/20/77/81/1274207781.db2.gz ZGYBHTHTMLHHNR-TZMCWYRMSA-N 0 1 369.429 0.852 20 30 FCEDMN CC[C@H](NC(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1OCC(=O)NC ZINC001577160354 1274208032 /nfs/dbraw/zinc/20/80/32/1274208032.db2.gz ZUFOEKZFBTZBIP-SNPRPXQTSA-N 0 1 359.430 0.673 20 30 FCEDMN Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)CCCc3c[nH]nn3)C2)n1 ZINC001577256153 1274283237 /nfs/dbraw/zinc/28/32/37/1274283237.db2.gz IBDJMJRGHMULCI-CQSZACIVSA-N 0 1 354.418 0.883 20 30 FCEDMN Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)CCCc3cnn[nH]3)C2)n1 ZINC001577256153 1274283244 /nfs/dbraw/zinc/28/32/44/1274283244.db2.gz IBDJMJRGHMULCI-CQSZACIVSA-N 0 1 354.418 0.883 20 30 FCEDMN Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577256615 1274285059 /nfs/dbraw/zinc/28/50/59/1274285059.db2.gz VGFCXZOTISFKKA-GFCCVEGCSA-N 0 1 356.390 0.395 20 30 FCEDMN Cc1nc(C#N)c(N2CCC(C(=O)N3CCOC[C@@H]3c3c[nH]nn3)CC2)o1 ZINC001577529801 1274473998 /nfs/dbraw/zinc/47/39/98/1274473998.db2.gz YUKBDPIXEFVHGC-OAHLLOKOSA-N 0 1 371.401 0.789 20 30 FCEDMN Cc1nc(C#N)c(N2CCC(C(=O)N3CCOC[C@H]3c3c[nH]nn3)CC2)o1 ZINC001577529797 1274474604 /nfs/dbraw/zinc/47/46/04/1274474604.db2.gz YUKBDPIXEFVHGC-HNNXBMFYSA-N 0 1 371.401 0.789 20 30 FCEDMN N#CCN1Cc2ccccc2C[C@@H]1CNC(=O)CCOCc1c[nH]nn1 ZINC001577706787 1274766975 /nfs/dbraw/zinc/76/69/75/1274766975.db2.gz UCUOYAQNTMVEGP-QGZVFWFLSA-N 0 1 354.414 0.778 20 30 FCEDMN N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCc2cn[nH]n2)CCO1 ZINC001577706393 1274767406 /nfs/dbraw/zinc/76/74/06/1274767406.db2.gz FTUVAHWOUHWMJS-HUUCEWRRSA-N 0 1 372.433 0.999 20 30 FCEDMN N#CCSCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001577710282 1274772396 /nfs/dbraw/zinc/77/23/96/1274772396.db2.gz VZEAKEKDSFSFES-LBPRGKRZSA-N 0 1 371.426 0.454 20 30 FCEDMN N#Cc1ccc(N2CC[C@H](NC(=O)CCCc3c[nH]nn3)[C@H](O)C2)nc1 ZINC001577715391 1274773790 /nfs/dbraw/zinc/77/37/90/1274773790.db2.gz NWNGDXJGCPBOML-LSDHHAIUSA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1ccc(N2CC[C@H](NC(=O)CCCc3cnn[nH]3)[C@H](O)C2)nc1 ZINC001577715391 1274773801 /nfs/dbraw/zinc/77/38/01/1274773801.db2.gz NWNGDXJGCPBOML-LSDHHAIUSA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCCCc1cn[nH]n1 ZINC001577719218 1274781699 /nfs/dbraw/zinc/78/16/99/1274781699.db2.gz MPLOJFBATZRMAH-KBPBESRZSA-N 0 1 352.402 0.669 20 30 FCEDMN N#Cc1cncc(N2CCC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577719132 1274782697 /nfs/dbraw/zinc/78/26/97/1274782697.db2.gz JZZNYUZQEHDICD-GFCCVEGCSA-N 0 1 356.390 0.158 20 30 FCEDMN N#Cc1cncc(NCC=CCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577719553 1274783854 /nfs/dbraw/zinc/78/38/54/1274783854.db2.gz VSBVZCNASFMBDR-YLSAJCSVSA-N 0 1 367.417 0.215 20 30 FCEDMN N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCCc2cn[nH]n2)n1 ZINC001577719683 1274785552 /nfs/dbraw/zinc/78/55/52/1274785552.db2.gz XWSFIBBRTRVBIS-LAQFHYBYSA-N 0 1 352.402 0.430 20 30 FCEDMN O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)CCCCc1cn[nH]n1)C2 ZINC001577742400 1274819285 /nfs/dbraw/zinc/81/92/85/1274819285.db2.gz COCDQLUMQMDSPI-UHFFFAOYSA-N 0 1 355.442 0.992 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1NC(=O)CCOCc1c[nH]nn1 ZINC001577746440 1274822868 /nfs/dbraw/zinc/82/28/68/1274822868.db2.gz ZANLGLGFZGHNPL-HZPDHXFCSA-N 0 1 359.430 0.668 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@](O)(CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001577817200 1274925409 /nfs/dbraw/zinc/92/54/09/1274925409.db2.gz WOXCELRGQGOZSF-SFHVURJKSA-N 0 1 359.430 0.011 20 30 FCEDMN CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[nH]n2)n1 ZINC001578061342 1275356526 /nfs/dbraw/zinc/35/65/26/1275356526.db2.gz AISLHKXJONRJAA-UHFFFAOYSA-N 0 1 352.362 0.113 20 30 FCEDMN COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1 ZINC001579073679 1276687017 /nfs/dbraw/zinc/68/70/17/1276687017.db2.gz RITNLULSLDAUBV-WWDXNRJTSA-N 0 1 350.444 0.815 20 30 FCEDMN CN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579193768 1276967963 /nfs/dbraw/zinc/96/79/63/1276967963.db2.gz PQDHXQYXQFUXMQ-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001579286392 1277108634 /nfs/dbraw/zinc/10/86/34/1277108634.db2.gz HLSNQZWOSWYSNW-QMMMGPOBSA-N 0 1 367.295 0.128 20 30 FCEDMN COC(=O)c1nc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)ccc1Cl ZINC001579491614 1277404240 /nfs/dbraw/zinc/40/42/40/1277404240.db2.gz LNBWYNYFDKIBTB-UHFFFAOYSA-N 0 1 371.748 0.975 20 30 FCEDMN COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579618146 1277663308 /nfs/dbraw/zinc/66/33/08/1277663308.db2.gz ISMHHMDOZNNBRE-SFHVURJKSA-N 0 1 371.445 0.677 20 30 FCEDMN COCC#CCN1CCC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579618146 1277663311 /nfs/dbraw/zinc/66/33/11/1277663311.db2.gz ISMHHMDOZNNBRE-SFHVURJKSA-N 0 1 371.445 0.677 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN1CC([C@H](C)NC(=O)[C@@H](C)C#N)C1 ZINC001579940463 1277972640 /nfs/dbraw/zinc/97/26/40/1277972640.db2.gz BQWSPXBACDFRKX-RYUDHWBXSA-N 0 1 369.429 0.971 20 30 FCEDMN C[C@@H](CNCc1ccccc1C#N)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580281298 1278082050 /nfs/dbraw/zinc/08/20/50/1278082050.db2.gz USILDERUCCNKKQ-NSHDSACASA-N 0 1 350.386 0.975 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001603189534 1287327111 /nfs/dbraw/zinc/32/71/11/1287327111.db2.gz OEXGPXPZRMKSQC-GFCCVEGCSA-N 0 1 354.418 0.387 20 30 FCEDMN Cc1cc(N2CCCO[C@H](CNC(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580968562 1279170733 /nfs/dbraw/zinc/17/07/33/1279170733.db2.gz KZAAOSDIWYPGIA-DGCLKSJQSA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N[C@@H](C)CCNC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990911 1279193360 /nfs/dbraw/zinc/19/33/60/1279193360.db2.gz KGKOHNVTRPGJOD-JTQLQIEISA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995286 1279205960 /nfs/dbraw/zinc/20/59/60/1279205960.db2.gz DQOKBNAAILAPAG-SNVBAGLBSA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1cc(NC2(C)CCN(C(=O)[C@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998296 1279212917 /nfs/dbraw/zinc/21/29/17/1279212917.db2.gz DBZIAZHIKDOEKP-LLVKDONJSA-N 0 1 354.418 0.945 20 30 FCEDMN Cc1cc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028139 1279263340 /nfs/dbraw/zinc/26/33/40/1279263340.db2.gz HXKIGOVKSGYTHY-UHFFFAOYSA-N 0 1 351.374 0.376 20 30 FCEDMN Cc1cc(N[C@H]2C[C@@H](NC(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038453 1279274811 /nfs/dbraw/zinc/27/48/11/1279274811.db2.gz MDSHIDWSOUAZLF-PHIMTYICSA-N 0 1 358.431 0.308 20 30 FCEDMN CC(C)COC(=O)N1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001603298071 1287349266 /nfs/dbraw/zinc/34/92/66/1287349266.db2.gz MFCNGMDMENJKPM-UHFFFAOYSA-N 0 1 371.405 0.833 20 30 FCEDMN N#CCSCC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001581858830 1280611101 /nfs/dbraw/zinc/61/11/01/1280611101.db2.gz XMZYUUSBWABYIR-ZDUSSCGKSA-N 0 1 358.431 0.247 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)c[nH]1 ZINC001581864439 1280615248 /nfs/dbraw/zinc/61/52/48/1280615248.db2.gz VVPOHIOTOICNHU-UHFFFAOYSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1ncc(N2CCC(C#N)(c3ccccn3)CC2)nc1-c1nn[nH]n1 ZINC001581881905 1280642452 /nfs/dbraw/zinc/64/24/52/1280642452.db2.gz DVRGGRCPVPIVLV-UHFFFAOYSA-N 0 1 358.369 0.985 20 30 FCEDMN N#Cc1ncc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001581883101 1280646860 /nfs/dbraw/zinc/64/68/60/1280646860.db2.gz ODRSITWJDPUWEJ-CYBMUJFWSA-N 0 1 365.376 0.688 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCCN(CC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581883184 1280647600 /nfs/dbraw/zinc/64/76/00/1280647600.db2.gz QUXBAEMYSRJKGX-MRVPVSSYSA-N 0 1 353.312 0.967 20 30 FCEDMN N#Cc1ncc(NCc2cccnc2N2CCOCC2)nc1-c1nn[nH]n1 ZINC001581884103 1280649267 /nfs/dbraw/zinc/64/92/67/1280649267.db2.gz KSCDJLJZWCBKTN-UHFFFAOYSA-N 0 1 364.373 0.372 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)nc1-c1nn[nH]n1 ZINC001581884167 1280650114 /nfs/dbraw/zinc/65/01/14/1280650114.db2.gz NKPYKXIXNFYNMZ-OTYXRUKQSA-N 0 1 351.330 0.571 20 30 FCEDMN N#Cc1ncc(NC[C@@H]2CCC3(CCOCC3)CO2)nc1-c1nn[nH]n1 ZINC001581884099 1280650536 /nfs/dbraw/zinc/65/05/36/1280650536.db2.gz KQQPKNHCCYSCNG-NSHDSACASA-N 0 1 356.390 0.916 20 30 FCEDMN N#Cc1ncc(NCCS(=O)(=O)Cc2ccccc2)nc1-c1nn[nH]n1 ZINC001581884180 1280650950 /nfs/dbraw/zinc/65/09/50/1280650950.db2.gz NZIDOFQWUTYLOL-UHFFFAOYSA-N 0 1 370.398 0.555 20 30 FCEDMN C#C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)[C@@H]1CCCO1 ZINC001588330051 1282422013 /nfs/dbraw/zinc/42/20/13/1282422013.db2.gz UCLDYHQHUBCBNX-QWRGUYRKSA-N 0 1 360.399 0.600 20 30 FCEDMN C#CC1CCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CC=C)CC1 ZINC001588331462 1282422836 /nfs/dbraw/zinc/42/28/36/1282422836.db2.gz SPVCWFKTFVVJAW-UHFFFAOYSA-N 0 1 365.405 0.134 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588354901 1282452117 /nfs/dbraw/zinc/45/21/17/1282452117.db2.gz CEWZBXDJRILODC-HOCLYGCPSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588356187 1282456840 /nfs/dbraw/zinc/45/68/40/1282456840.db2.gz AGLJXEXFUQIITO-RWMBFGLXSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356139 1282457733 /nfs/dbraw/zinc/45/77/33/1282457733.db2.gz TZWJPIYKDRTDIL-PNESKVBLSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356139 1282457736 /nfs/dbraw/zinc/45/77/36/1282457736.db2.gz TZWJPIYKDRTDIL-PNESKVBLSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588356077 1282457877 /nfs/dbraw/zinc/45/78/77/1282457877.db2.gz SDYXNUSDUUQQIY-PVXIVEMSSA-N 0 1 369.429 0.289 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588356425 1282458774 /nfs/dbraw/zinc/45/87/74/1282458774.db2.gz XJEYCEBSLHPPFY-LBPRGKRZSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356439 1282459101 /nfs/dbraw/zinc/45/91/01/1282459101.db2.gz BYSWIZZXDVPMFJ-QWHCGFSZSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356439 1282459112 /nfs/dbraw/zinc/45/91/12/1282459112.db2.gz BYSWIZZXDVPMFJ-QWHCGFSZSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356439 1282459118 /nfs/dbraw/zinc/45/91/18/1282459118.db2.gz BYSWIZZXDVPMFJ-QWHCGFSZSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356439 1282459124 /nfs/dbraw/zinc/45/91/24/1282459124.db2.gz BYSWIZZXDVPMFJ-QWHCGFSZSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588357019 1282462757 /nfs/dbraw/zinc/46/27/57/1282462757.db2.gz IPDCVVQYVJPEAR-GBOPCIDUSA-N 0 1 367.413 0.098 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588357530 1282464930 /nfs/dbraw/zinc/46/49/30/1282464930.db2.gz KNVNBOZQTPKRGS-GFCCVEGCSA-N 0 1 372.433 0.013 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588357806 1282466720 /nfs/dbraw/zinc/46/67/20/1282466720.db2.gz NKPFGFLCQHITDW-STQMWFEESA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1 ZINC001588357563 1282467296 /nfs/dbraw/zinc/46/72/96/1282467296.db2.gz LMVFCVWMKGYIPI-ZDUSSCGKSA-N 0 1 371.445 0.618 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588357606 1282467568 /nfs/dbraw/zinc/46/75/68/1282467568.db2.gz MBFVEKNWCKINCW-MRVPVSSYSA-N 0 1 369.838 0.885 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588358650 1282471438 /nfs/dbraw/zinc/47/14/38/1282471438.db2.gz UMVAIQNXAABRMA-ZIAGYGMSSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588360030 1282477272 /nfs/dbraw/zinc/47/72/72/1282477272.db2.gz GGKNZQDNAVKWGT-UONOGXRCSA-N 0 1 369.429 0.230 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588359785 1282477377 /nfs/dbraw/zinc/47/73/77/1282477377.db2.gz YIRKTSJGNNEVSY-QWHCGFSZSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCOCCC(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588360882 1282481173 /nfs/dbraw/zinc/48/11/73/1282481173.db2.gz XCGNKLYLJMTUTO-UHFFFAOYSA-N 0 1 369.838 0.887 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588361845 1282484249 /nfs/dbraw/zinc/48/42/49/1282484249.db2.gz UAOAMXFOKBYSGG-QWHCGFSZSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCOc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001588362083 1282487140 /nfs/dbraw/zinc/48/71/40/1282487140.db2.gz SXTISXJYXSKVLO-LLVKDONJSA-N 0 1 352.358 0.348 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362334 1282487235 /nfs/dbraw/zinc/48/72/35/1282487235.db2.gz ADFFJMUEQOFUFL-ZDUSSCGKSA-N 0 1 355.402 0.305 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001588368539 1282494340 /nfs/dbraw/zinc/49/43/40/1282494340.db2.gz VHRWCDNLRNKJJY-LLVKDONJSA-N 0 1 363.385 0.288 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001588381295 1282497152 /nfs/dbraw/zinc/49/71/52/1282497152.db2.gz XTDXOGFORNHEOO-CYBMUJFWSA-N 0 1 361.369 0.042 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588391307 1282498480 /nfs/dbraw/zinc/49/84/80/1282498480.db2.gz HUEICBYRFFLQRP-LBPRGKRZSA-N 0 1 359.434 0.517 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001588402767 1282500186 /nfs/dbraw/zinc/50/01/86/1282500186.db2.gz MSJXEMFOYQWVBN-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001588419731 1282505912 /nfs/dbraw/zinc/50/59/12/1282505912.db2.gz RTJBBFMFJKQPNT-CVEARBPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588448980 1282507403 /nfs/dbraw/zinc/50/74/03/1282507403.db2.gz IOXJPLZRVJROLN-GFCCVEGCSA-N 0 1 354.418 0.838 20 30 FCEDMN C=C[C@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588468562 1282514445 /nfs/dbraw/zinc/51/44/45/1282514445.db2.gz UJSPWILWCWLBRC-OCCSQVGLSA-N 0 1 364.413 0.965 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588495654 1282527253 /nfs/dbraw/zinc/52/72/53/1282527253.db2.gz HRCAQWJTFVMGHJ-PXAZEXFGSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588499538 1282530243 /nfs/dbraw/zinc/53/02/43/1282530243.db2.gz JJNCIUZIMBQMGP-FZKQIMNGSA-N 0 1 371.445 0.874 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588500083 1282532822 /nfs/dbraw/zinc/53/28/22/1282532822.db2.gz QMYZUBJGKOYBJD-HNNXBMFYSA-N 0 1 350.448 0.803 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588500083 1282532831 /nfs/dbraw/zinc/53/28/31/1282532831.db2.gz QMYZUBJGKOYBJD-HNNXBMFYSA-N 0 1 350.448 0.803 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501031 1282534849 /nfs/dbraw/zinc/53/48/49/1282534849.db2.gz IKAAIZGQVWVYET-YVEFUNNKSA-N 0 1 372.433 0.411 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588501996 1282537786 /nfs/dbraw/zinc/53/77/86/1282537786.db2.gz PURRAZRWVICTQR-PXAZEXFGSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588504952 1282546123 /nfs/dbraw/zinc/54/61/23/1282546123.db2.gz MYMQMJJTSVEDOP-SJKOYZFVSA-N 0 1 357.418 0.531 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001588505273 1282546677 /nfs/dbraw/zinc/54/66/77/1282546677.db2.gz OOKARDSGFPDEBB-QAPCUYQASA-N 0 1 373.461 0.872 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588505740 1282548288 /nfs/dbraw/zinc/54/82/88/1282548288.db2.gz WKTVVRGLQDSVHY-UGSOOPFHSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588507662 1282550921 /nfs/dbraw/zinc/55/09/21/1282550921.db2.gz JRQJEHKRXUDVEV-OHUAYANFSA-N 0 1 362.459 0.992 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588507662 1282550929 /nfs/dbraw/zinc/55/09/29/1282550929.db2.gz JRQJEHKRXUDVEV-OHUAYANFSA-N 0 1 362.459 0.992 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001588507394 1282551792 /nfs/dbraw/zinc/55/17/92/1282551792.db2.gz HOOIIYWRSFFNEB-ZBEGNZNMSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588520779 1282556298 /nfs/dbraw/zinc/55/62/98/1282556298.db2.gz DZLQGWDZXGQYII-QWHCGFSZSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588531489 1282561390 /nfs/dbraw/zinc/56/13/90/1282561390.db2.gz CWSUXUXREVDEIC-RYUDHWBXSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588546121 1282563663 /nfs/dbraw/zinc/56/36/63/1282563663.db2.gz YAIHFLGTPFGIKF-CQSZACIVSA-N 0 1 367.417 0.945 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588538803 1282563786 /nfs/dbraw/zinc/56/37/86/1282563786.db2.gz YXVRQZPTDSJFOP-TXEJJXNPSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC(CC=C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588544888 1282565383 /nfs/dbraw/zinc/56/53/83/1282565383.db2.gz ZBOYEBKZFHBVNU-OLZOCXBDSA-N 0 1 370.417 0.091 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001588553244 1282566736 /nfs/dbraw/zinc/56/67/36/1282566736.db2.gz KKEZWYBWPMJMJZ-LBPRGKRZSA-N 0 1 357.418 0.319 20 30 FCEDMN C=CCC1(C(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001588553417 1282567371 /nfs/dbraw/zinc/56/73/71/1282567371.db2.gz NMUPEAWGESGHKS-UHFFFAOYSA-N 0 1 372.433 0.370 20 30 FCEDMN C=CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588571959 1282570611 /nfs/dbraw/zinc/57/06/11/1282570611.db2.gz UNWQUKXWCPFFMD-SWLSCSKDSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCC[C@@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588577497 1282574091 /nfs/dbraw/zinc/57/40/91/1282574091.db2.gz IYQSYSDTYWJRAK-GFCCVEGCSA-N 0 1 359.434 0.716 20 30 FCEDMN C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001588587068 1282575338 /nfs/dbraw/zinc/57/53/38/1282575338.db2.gz QJIVHEIPVIXIRO-HOCLYGCPSA-N 0 1 371.445 0.982 20 30 FCEDMN C=CCCCN1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588600433 1282581306 /nfs/dbraw/zinc/58/13/06/1282581306.db2.gz BCGLGAZBEUPMJK-QGZVFWFLSA-N 0 1 359.434 0.982 20 30 FCEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588600705 1282581726 /nfs/dbraw/zinc/58/17/26/1282581726.db2.gz MMBYBIHFYWVPBK-KRWDZBQOSA-N 0 1 359.434 0.982 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588608355 1282583662 /nfs/dbraw/zinc/58/36/62/1282583662.db2.gz KKLDNTAUTALCHX-LBPRGKRZSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608714 1282583902 /nfs/dbraw/zinc/58/39/02/1282583902.db2.gz PJEIHXSCAZLMJL-STQMWFEESA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCOCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588617264 1282598460 /nfs/dbraw/zinc/59/84/60/1282598460.db2.gz SDJJPGYRQZWNGL-INIZCTEOSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCN(CCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588632335 1282600665 /nfs/dbraw/zinc/60/06/65/1282600665.db2.gz PRLIEQOFBURXQD-UHFFFAOYSA-N 0 1 363.359 0.865 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001588659709 1282612355 /nfs/dbraw/zinc/61/23/55/1282612355.db2.gz QHWBGVKYKQVVNB-CYBMUJFWSA-N 0 1 372.433 0.081 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588667271 1282624722 /nfs/dbraw/zinc/62/47/22/1282624722.db2.gz TXXNJJTUPNCISQ-OAHLLOKOSA-N 0 1 371.445 0.844 20 30 FCEDMN C=CCOCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588671758 1282628459 /nfs/dbraw/zinc/62/84/59/1282628459.db2.gz MRRSDFXFSWGOKE-QGZVFWFLSA-N 0 1 357.418 0.858 20 30 FCEDMN C=CCOCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588674295 1282632753 /nfs/dbraw/zinc/63/27/53/1282632753.db2.gz MJUDUEHCWYQWAE-ZETCQYMHSA-N 0 1 373.826 0.068 20 30 FCEDMN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588680776 1282638247 /nfs/dbraw/zinc/63/82/47/1282638247.db2.gz CRJRYWSEURRYTC-SNPRPXQTSA-N 0 1 369.429 0.999 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001588701044 1282654196 /nfs/dbraw/zinc/65/41/96/1282654196.db2.gz ZXGMIIPVWXHRST-AOOOYVTPSA-N 0 1 354.378 0.402 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001588709312 1282655664 /nfs/dbraw/zinc/65/56/64/1282655664.db2.gz QBAZPCBNAKFHEC-SRVKXCTJSA-N 0 1 369.437 0.765 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001588709978 1282657089 /nfs/dbraw/zinc/65/70/89/1282657089.db2.gz ZHDZKGJDOQEBIR-VXGBXAGGSA-N 0 1 369.437 0.909 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588718217 1282664190 /nfs/dbraw/zinc/66/41/90/1282664190.db2.gz BYZWKAAXAHRGKB-DOMZBBRYSA-N 0 1 357.418 0.453 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588721524 1282668635 /nfs/dbraw/zinc/66/86/35/1282668635.db2.gz KVPHLFQBEFDGBX-ZENOOKHLSA-N 0 1 369.429 0.596 20 30 FCEDMN CC#CCCCC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588738793 1282678938 /nfs/dbraw/zinc/67/89/38/1282678938.db2.gz RZRRHWYWGIXTTP-CYBMUJFWSA-N 0 1 357.418 0.108 20 30 FCEDMN CC#CCCCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588738204 1282679467 /nfs/dbraw/zinc/67/94/67/1282679467.db2.gz MGDREGGEUJXWMJ-CYBMUJFWSA-N 0 1 372.433 0.106 20 30 FCEDMN CC#CCCCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588737571 1282680978 /nfs/dbraw/zinc/68/09/78/1282680978.db2.gz GPKCVNCGLOXGPI-ZDUSSCGKSA-N 0 1 354.418 0.887 20 30 FCEDMN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588740838 1282682291 /nfs/dbraw/zinc/68/22/91/1282682291.db2.gz YDGBWSKUHILULS-CHWSQXEVSA-N 0 1 356.434 0.967 20 30 FCEDMN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588740841 1282684015 /nfs/dbraw/zinc/68/40/15/1282684015.db2.gz YDGBWSKUHILULS-STQMWFEESA-N 0 1 356.434 0.967 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588746262 1282684574 /nfs/dbraw/zinc/68/45/74/1282684574.db2.gz PEURXVHHCXGEDE-JYAVWHMHSA-N 0 1 352.402 0.401 20 30 FCEDMN C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588939401 1282734810 /nfs/dbraw/zinc/73/48/10/1282734810.db2.gz AOOLEQDLTPJRLH-ZWNOBZJWSA-N 0 1 367.373 0.083 20 30 FCEDMN C[C@@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588939398 1282734914 /nfs/dbraw/zinc/73/49/14/1282734914.db2.gz AOOLEQDLTPJRLH-GWCFXTLKSA-N 0 1 367.373 0.083 20 30 FCEDMN C[C@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588970742 1282747860 /nfs/dbraw/zinc/74/78/60/1282747860.db2.gz OKEBJYKBZGBBEE-PIGZYNQJSA-N 0 1 363.385 0.587 20 30 FCEDMN C[C@H](C(=O)NCc1cccc(OCC#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588998782 1282762623 /nfs/dbraw/zinc/76/26/23/1282762623.db2.gz VXSYYDHIPIUTAT-SNVBAGLBSA-N 0 1 353.346 0.238 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001589386921 1282864012 /nfs/dbraw/zinc/86/40/12/1282864012.db2.gz FPFYCMMNPWQXCN-DLBZAZTESA-N 0 1 368.441 0.578 20 30 FCEDMN CCN(C(C)=O)c1nc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cs1 ZINC001590676425 1283722015 /nfs/dbraw/zinc/72/20/15/1283722015.db2.gz HTDGFAJDKQZUBL-UHFFFAOYSA-N 0 1 358.391 0.395 20 30 FCEDMN CN(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(C#N)[nH]1 ZINC001591101745 1284170298 /nfs/dbraw/zinc/17/02/98/1284170298.db2.gz CGIBEMPNPGLJBD-UHFFFAOYSA-N 0 1 356.415 0.990 20 30 FCEDMN CN(CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(C#N)[nH]1 ZINC001591101745 1284170304 /nfs/dbraw/zinc/17/03/04/1284170304.db2.gz CGIBEMPNPGLJBD-UHFFFAOYSA-N 0 1 356.415 0.990 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001591159789 1284234101 /nfs/dbraw/zinc/23/41/01/1284234101.db2.gz FXRDOWVJYQLXFY-UHFFFAOYSA-N 0 1 357.378 0.584 20 30 FCEDMN CN1CC[C@H](N2CCC(Nc3c(C#N)cccc3-c3nn[nH]n3)CC2)C1=O ZINC001591181465 1284284057 /nfs/dbraw/zinc/28/40/57/1284284057.db2.gz WRIXCROQHCBVOM-HNNXBMFYSA-N 0 1 366.429 0.845 20 30 FCEDMN COc1cccc(C#CCOC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c1 ZINC001591632581 1284773822 /nfs/dbraw/zinc/77/38/22/1284773822.db2.gz XKFDMKSCNFHSOZ-NSHDSACASA-N 0 1 353.342 0.623 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001591753450 1284882602 /nfs/dbraw/zinc/88/26/02/1284882602.db2.gz BANOCDIAPWMNNA-NEPJUHHUSA-N 0 1 354.418 0.790 20 30 FCEDMN Cc1c(C=NNC[C@H](C)O)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC001591817971 1284924038 /nfs/dbraw/zinc/92/40/38/1284924038.db2.gz WJVDVWVDJLCZEZ-VIFPVBQESA-N 0 1 366.385 0.574 20 30 FCEDMN Cc1cc(N2CC[C@H](CNC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592001123 1285052914 /nfs/dbraw/zinc/05/29/14/1285052914.db2.gz OWPKDNVCTDIYLM-CQSZACIVSA-N 0 1 351.414 0.926 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](C)N(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036325 1285080628 /nfs/dbraw/zinc/08/06/28/1285080628.db2.gz QNOJQHYPXJGJPY-RYUDHWBXSA-N 0 1 372.458 0.650 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)o1 ZINC001592335614 1285244688 /nfs/dbraw/zinc/24/46/88/1285244688.db2.gz FQMJNQHYWDTVOJ-GFCCVEGCSA-N 0 1 372.389 0.131 20 30 FCEDMN N#CCSCC(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001592679174 1285574961 /nfs/dbraw/zinc/57/49/61/1285574961.db2.gz HZSRNADOXQAJRH-UHFFFAOYSA-N 0 1 351.461 0.781 20 30 FCEDMN N#CCSCC(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001592679174 1285574965 /nfs/dbraw/zinc/57/49/65/1285574965.db2.gz HZSRNADOXQAJRH-UHFFFAOYSA-N 0 1 351.461 0.781 20 30 FCEDMN N#CCSCC(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001592679584 1285577096 /nfs/dbraw/zinc/57/70/96/1285577096.db2.gz VIKWXMZSQAHQSG-UHFFFAOYSA-N 0 1 372.458 0.780 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592679374 1285577492 /nfs/dbraw/zinc/57/74/92/1285577492.db2.gz OTPJUCBRFQIZHH-NWDGAFQWSA-N 0 1 372.458 0.637 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001592681922 1285581876 /nfs/dbraw/zinc/58/18/76/1285581876.db2.gz MRLJCFJRXRXKSM-UHFFFAOYSA-N 0 1 367.417 0.602 20 30 FCEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001592697347 1285588863 /nfs/dbraw/zinc/58/88/63/1285588863.db2.gz GUWUBXLHRMRNQQ-CYBMUJFWSA-N 0 1 364.373 0.317 20 30 FCEDMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC001593768254 1286213940 /nfs/dbraw/zinc/21/39/40/1286213940.db2.gz PTYWAPUPFBEIAH-INIZCTEOSA-N 0 1 371.445 0.543 20 30 FCEDMN C#CCCCCC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602706160 1287067472 /nfs/dbraw/zinc/06/74/72/1287067472.db2.gz MRDOHKKSZSXVSS-ZDUSSCGKSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCCC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602706158 1287067545 /nfs/dbraw/zinc/06/75/45/1287067545.db2.gz MRDOHKKSZSXVSS-CYBMUJFWSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCN1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@@H](C)O2 ZINC001602721409 1287075797 /nfs/dbraw/zinc/07/57/97/1287075797.db2.gz IJMOHDBIQVJRMU-PXAZEXFGSA-N 0 1 355.402 0.133 20 30 FCEDMN C#CCN1CCC(NC(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 ZINC001602721515 1287076643 /nfs/dbraw/zinc/07/66/43/1287076643.db2.gz MOMSCHOZDKWTPM-UHFFFAOYSA-N 0 1 369.433 0.070 20 30 FCEDMN C#CCNC(=O)CN1CC[NH+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC001602725538 1287084935 /nfs/dbraw/zinc/08/49/35/1287084935.db2.gz XFIXBXCSZXXZOS-YVMONPNESA-N 0 1 371.437 0.530 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602726972 1287092346 /nfs/dbraw/zinc/09/23/46/1287092346.db2.gz UWQUOFZHVRSOSW-KBPBESRZSA-N 0 1 369.429 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001602739981 1287101069 /nfs/dbraw/zinc/10/10/69/1287101069.db2.gz RPGNLDWTEDTIFO-NSHDSACASA-N 0 1 363.385 0.075 20 30 FCEDMN C#Cc1cccc(NC(=O)NC(=O)CN2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c1 ZINC001602743519 1287102537 /nfs/dbraw/zinc/10/25/37/1287102537.db2.gz QKGVMAULHJWCGV-AWEZNQCLSA-N 0 1 358.398 0.264 20 30 FCEDMN C#Cc1cncc(C(=O)N(CC)CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001602742769 1287102711 /nfs/dbraw/zinc/10/27/11/1287102711.db2.gz KHFJRBIYMIVQNG-UHFFFAOYSA-N 0 1 362.397 0.634 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602753584 1287105788 /nfs/dbraw/zinc/10/57/88/1287105788.db2.gz QVBAHYZSJNGTTF-HAQNSBGRSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C1CCC(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001602775833 1287111554 /nfs/dbraw/zinc/11/15/54/1287111554.db2.gz TWFPOAUUMYSPQB-ZDUSSCGKSA-N 0 1 354.418 0.838 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602784403 1287112236 /nfs/dbraw/zinc/11/22/36/1287112236.db2.gz RFUVGIMWXXAFQB-CYBMUJFWSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602792092 1287116214 /nfs/dbraw/zinc/11/62/14/1287116214.db2.gz DQLITFMGAPIEJY-YJBOKZPZSA-N 0 1 371.445 0.626 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001602790983 1287117183 /nfs/dbraw/zinc/11/71/83/1287117183.db2.gz WZJBDCAGDQJJGI-DDUZABMNSA-N 0 1 371.445 0.838 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001602792864 1287117507 /nfs/dbraw/zinc/11/75/07/1287117507.db2.gz ILDFUEUVWIOIJM-FZKQIMNGSA-N 0 1 373.461 0.954 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602795649 1287120687 /nfs/dbraw/zinc/12/06/87/1287120687.db2.gz URMPBQDAKOATNN-PXAZEXFGSA-N 0 1 372.433 0.055 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602796153 1287121071 /nfs/dbraw/zinc/12/10/71/1287121071.db2.gz ZPRAWVVIDMXHOD-SCLBCKFNSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602810045 1287122355 /nfs/dbraw/zinc/12/23/55/1287122355.db2.gz ZZYJQNMKZATZGC-GFCCVEGCSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001602817722 1287125294 /nfs/dbraw/zinc/12/52/94/1287125294.db2.gz NEFFRTVETCPIIT-LBPRGKRZSA-N 0 1 372.433 0.104 20 30 FCEDMN C=CC1(CC(=O)NCC[N@H+](C)CC(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001602828934 1287128506 /nfs/dbraw/zinc/12/85/06/1287128506.db2.gz SCXGDJIIPXATCM-UHFFFAOYSA-N 0 1 355.435 0.932 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602845100 1287134644 /nfs/dbraw/zinc/13/46/44/1287134644.db2.gz WSCKCZRDFOKLHJ-VXGBXAGGSA-N 0 1 358.406 0.190 20 30 FCEDMN C=CC[NH+](CC=C)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)C ZINC001602849975 1287135815 /nfs/dbraw/zinc/13/58/15/1287135815.db2.gz KOAFXHVGSUXRKT-LBPRGKRZSA-N 0 1 374.449 0.777 20 30 FCEDMN C=CCOCC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 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WPFWHRMECBEECN-UHFFFAOYSA-N 0 1 373.764 0.818 20 30 FCEDMN CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001605526719 1287991315 /nfs/dbraw/zinc/99/13/15/1287991315.db2.gz RCGVZFTWQLSJDD-ZDUSSCGKSA-N 0 1 351.403 0.478 20 30 FCEDMN N#Cc1ncc(N2CCN(CC(F)(F)C(F)F)CC2)nc1-c1nn[nH]n1 ZINC001606397169 1288286035 /nfs/dbraw/zinc/28/60/35/1288286035.db2.gz JRATYMPHBJVGSJ-UHFFFAOYSA-N 0 1 371.302 0.551 20 30 FCEDMN N#Cc1ncc(NCCc2cc(-c3ccncc3)n[nH]2)nc1-c1nn[nH]n1 ZINC001606398009 1288286684 /nfs/dbraw/zinc/28/66/84/1288286684.db2.gz HGIKDMWEYCOERA-UHFFFAOYSA-N 0 1 359.357 0.968 20 30 FCEDMN CO[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@](C)(C(=O)[O-])C1 ZINC001606771170 1288505434 /nfs/dbraw/zinc/50/54/34/1288505434.db2.gz LOFVRESUFNLBGA-CJNGLKHVSA-N 0 1 352.412 0.896 20 30 FCEDMN CO[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@](C)(C(=O)[O-])C1 ZINC001606771170 1288505438 /nfs/dbraw/zinc/50/54/38/1288505438.db2.gz LOFVRESUFNLBGA-CJNGLKHVSA-N 0 1 352.412 0.896 20 30 FCEDMN N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608182926 1288787237 /nfs/dbraw/zinc/78/72/37/1288787237.db2.gz RJRVCEVMOLVIRX-CYBMUJFWSA-N 0 1 359.390 0.269 20 30 FCEDMN N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608182926 1288787240 /nfs/dbraw/zinc/78/72/40/1288787240.db2.gz RJRVCEVMOLVIRX-CYBMUJFWSA-N 0 1 359.390 0.269 20 30 FCEDMN N#Cc1ccc(N2CC[NH+](CCc3cn(CC(=O)[O-])nn3)CC2)c(F)c1 ZINC001608206702 1288789721 /nfs/dbraw/zinc/78/97/21/1288789721.db2.gz YPIRIBWLSFXQDF-UHFFFAOYSA-N 0 1 358.377 0.738 20 30 FCEDMN N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)C2=O)cc1 ZINC001608206820 1288789900 /nfs/dbraw/zinc/78/99/00/1288789900.db2.gz ITQFINYHDJEHFI-ZBFHGGJFSA-N 0 1 366.381 0.900 20 30 FCEDMN N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)C2=O)cc1 ZINC001608206820 1288789902 /nfs/dbraw/zinc/78/99/02/1288789902.db2.gz ITQFINYHDJEHFI-ZBFHGGJFSA-N 0 1 366.381 0.900 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001609057472 1288891550 /nfs/dbraw/zinc/89/15/50/1288891550.db2.gz VFAXFUFVUOFUGQ-NSHDSACASA-N 0 1 372.433 0.545 20 30 FCEDMN C#CCN1CCN(C(=O)C[NH2+][C@@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)CC1 ZINC001609158994 1288958033 /nfs/dbraw/zinc/95/80/33/1288958033.db2.gz QHCOMJYZYCFFPR-KBXCAEBGSA-N 0 1 351.447 0.012 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCSc2ccccc21 ZINC001609496641 1289179582 /nfs/dbraw/zinc/17/95/82/1289179582.db2.gz ZNZFXDGGEUDIBG-UHFFFAOYSA-N 0 1 367.398 0.656 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1cnn(C)c1 ZINC001691978593 1289354726 /nfs/dbraw/zinc/35/47/26/1289354726.db2.gz MFGFSEQJXFGNGW-ZWKOTPCHSA-N 0 1 356.426 0.790 20 30 FCEDMN COCC#CCN1CC[C@@H]2CN(C(=O)c3cc4ncccn4n3)C[C@@H]2C1 ZINC001692080674 1289385475 /nfs/dbraw/zinc/38/54/75/1289385475.db2.gz LQRJXAMEUHGPMQ-CVEARBPZSA-N 0 1 353.426 0.773 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3ccn(CC)n3)C[C@@H]2C1 ZINC001692078688 1289386649 /nfs/dbraw/zinc/38/66/49/1289386649.db2.gz VKMVXGKYMSRRQW-OAGGEKHMSA-N 0 1 357.458 0.435 20 30 FCEDMN C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001610134059 1289388308 /nfs/dbraw/zinc/38/83/08/1289388308.db2.gz MEIXDMOLGVJESO-CABCVRRESA-N 0 1 370.409 0.386 20 30 FCEDMN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]2C1 ZINC001692086756 1289394782 /nfs/dbraw/zinc/39/47/82/1289394782.db2.gz MAELEPBBHCURSJ-XHSDSOJGSA-N 0 1 358.504 0.650 20 30 FCEDMN C=CC(C)(C)CC(=O)N[C@H]1CCN(C[C@@H](O)CN2C(=O)CCC2=O)[C@@H]1C ZINC001692167169 1289413520 /nfs/dbraw/zinc/41/35/20/1289413520.db2.gz SYDBMBNBXXPKBA-KFWWJZLASA-N 0 1 365.474 0.678 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC[N@H+]1CC#CCOC ZINC001692191205 1289425294 /nfs/dbraw/zinc/42/52/94/1289425294.db2.gz DFRQWGDIQMXHNL-UONOGXRCSA-N 0 1 365.434 0.088 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)Cc3cnn(CC)c3)C[C@@H]2C1 ZINC001692289064 1289445168 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ZINC001575176851 1271764710 /nfs/dbraw/zinc/76/47/10/1271764710.db2.gz IEYVHBJDZDHLNT-LBPRGKRZSA-N 0 1 356.386 0.732 20 30 FCEDMN CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCCOC1 ZINC001575216330 1271795866 /nfs/dbraw/zinc/79/58/66/1271795866.db2.gz RUTBFDRNXNTPRI-OGHNNQOOSA-N 0 1 352.435 0.536 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H](C)CCCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575318773 1271917947 /nfs/dbraw/zinc/91/79/47/1271917947.db2.gz QGHNKNQKAZZHBU-RDJZCZTQSA-N 0 1 374.489 0.830 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575318486 1271918180 /nfs/dbraw/zinc/91/81/80/1271918180.db2.gz KGXOAJVMCURVNK-CQSZACIVSA-N 0 1 352.398 0.857 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CCCCc1cn[nH]n1 ZINC001575318018 1271918524 /nfs/dbraw/zinc/91/85/24/1271918524.db2.gz FYEQZQJMZUFJHY-MRXNPFEDSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575318558 1271918753 /nfs/dbraw/zinc/91/87/53/1271918753.db2.gz LPSQAPGQRWNPEA-ZBFHGGJFSA-N 0 1 358.446 0.003 20 30 FCEDMN CC(C)C#CC(=O)N(C)C1CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001575318568 1271919423 /nfs/dbraw/zinc/91/94/23/1271919423.db2.gz LSMVYNXWTTYXTH-UHFFFAOYSA-N 0 1 361.446 0.820 20 30 FCEDMN C[C@H](CNC(=O)c1ccc(-c2c[nH]nn2)nc1)N(C)c1ccc(C#N)nn1 ZINC001575601829 1272227100 /nfs/dbraw/zinc/22/71/00/1272227100.db2.gz JJLWINDICCLEJF-LLVKDONJSA-N 0 1 363.385 0.783 20 30 FCEDMN C[C@H](NC(=O)c1ccc(-c2c[nH]nn2)nc1)C1CN(C(=O)C#CC2CC2)C1 ZINC001575651561 1272259955 /nfs/dbraw/zinc/25/99/55/1272259955.db2.gz UJCSQHVIBWLQCL-LBPRGKRZSA-N 0 1 364.409 0.857 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001575717587 1272363519 /nfs/dbraw/zinc/36/35/19/1272363519.db2.gz DHBBLISXSYPVIV-YPMHNXCESA-N 0 1 356.390 0.109 20 30 FCEDMN C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575719224 1272369161 /nfs/dbraw/zinc/36/91/61/1272369161.db2.gz VQPGCWVHCQOMDO-CHWSQXEVSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)CCCNC(=O)c1ccc(C#N)[nH]1 ZINC001575728848 1272396042 /nfs/dbraw/zinc/39/60/42/1272396042.db2.gz MNLTVWRNMDZUAV-NSHDSACASA-N 0 1 359.390 0.188 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@H](CN(C)c2cncc(C#N)n2)C1 ZINC001575743791 1272413902 /nfs/dbraw/zinc/41/39/02/1272413902.db2.gz WQFFWUHKWYNLMM-CHWSQXEVSA-N 0 1 370.417 0.356 20 30 FCEDMN C[C@@H](OCc1cn[nH]n1)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001575830966 1272498432 /nfs/dbraw/zinc/49/84/32/1272498432.db2.gz YACLCDBLVFBHSF-CJNGLKHVSA-N 0 1 354.414 0.972 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001575833730 1272500202 /nfs/dbraw/zinc/50/02/02/1272500202.db2.gz AAKFRJBCKUFCHV-IVMMDQJWSA-N 0 1 357.414 0.183 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H](CNC(=O)C#CC1CC1)C1CCCC1 ZINC001575837872 1272507582 /nfs/dbraw/zinc/50/75/82/1272507582.db2.gz CGBMQHKVLROCFE-SUMWQHHRSA-N 0 1 373.457 0.914 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H](CNc1ccc(C#N)nc1)C1CC1 ZINC001575840212 1272510706 /nfs/dbraw/zinc/51/07/06/1272510706.db2.gz MSXRWQAEXFGVJM-MEDUHNTESA-N 0 1 355.402 0.983 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001575880028 1272544731 /nfs/dbraw/zinc/54/47/31/1272544731.db2.gz RFHVMHJIRXOTQF-GVXVVHGQSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@@H](CCNC(=O)[C@H](C)OCc1c[nH]nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575879712 1272545697 /nfs/dbraw/zinc/54/56/97/1272545697.db2.gz XLGMHTPRPHIYOO-QWRGUYRKSA-N 0 1 359.390 0.234 20 30 FCEDMN C[C@@]1(NC(=O)CSCC#N)CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001575997454 1272672700 /nfs/dbraw/zinc/67/27/00/1272672700.db2.gz ASHMVKKECMTUBA-MRXNPFEDSA-N 0 1 364.475 0.881 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576043553 1272766337 /nfs/dbraw/zinc/76/63/37/1272766337.db2.gz ACHUTAUAVHUTKX-YPMHNXCESA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)CSCC#N)CN1C(=O)CCCCc1cn[nH]n1 ZINC001576048900 1272776610 /nfs/dbraw/zinc/77/66/10/1272776610.db2.gz YPDQEXVESOJRIU-TZMCWYRMSA-N 0 1 364.475 0.880 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001576111629 1272899098 /nfs/dbraw/zinc/89/90/98/1272899098.db2.gz ZNQJLQXHACWXNP-OLZOCXBDSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001576111629 1272899120 /nfs/dbraw/zinc/89/91/20/1272899120.db2.gz ZNQJLQXHACWXNP-OLZOCXBDSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@@H]1COCC[N@H+]1C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001576378237 1273209238 /nfs/dbraw/zinc/20/92/38/1273209238.db2.gz PLNVLEKSJGKQRA-LLVKDONJSA-N 0 1 355.406 0.218 20 30 FCEDMN CCCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001576479398 1273320501 /nfs/dbraw/zinc/32/05/01/1273320501.db2.gz CTLZEGKGYRCASE-GFCCVEGCSA-N 0 1 373.417 0.578 20 30 FCEDMN CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H](C)OCc2c[nH]nn2)n1 ZINC001576654118 1273511646 /nfs/dbraw/zinc/51/16/46/1273511646.db2.gz XEKCNZGLVNWCCA-LLVKDONJSA-N 0 1 358.406 0.186 20 30 FCEDMN CN(C(=O)CCCCc1cn[nH]n1)[C@@H](CNc1ccnc(C#N)n1)C1CC1 ZINC001576720626 1273591305 /nfs/dbraw/zinc/59/13/05/1273591305.db2.gz OWZJWPNFGSOHDD-HNNXBMFYSA-N 0 1 368.445 0.950 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576739496 1273607967 /nfs/dbraw/zinc/60/79/67/1273607967.db2.gz XFFPIALHFDMLRT-CQSZACIVSA-N 0 1 371.401 0.284 20 30 FCEDMN CN(c1cnc(C#N)cn1)C1CCN(C(=O)CCCc2c[nH]nn2)CC1 ZINC001576869705 1273843916 /nfs/dbraw/zinc/84/39/16/1273843916.db2.gz FLDMCDQLOWTTJX-UHFFFAOYSA-N 0 1 354.418 0.916 20 30 FCEDMN CN(c1cnc(C#N)cn1)C1CCN(C(=O)CCCc2cnn[nH]2)CC1 ZINC001576869705 1273843925 /nfs/dbraw/zinc/84/39/25/1273843925.db2.gz FLDMCDQLOWTTJX-UHFFFAOYSA-N 0 1 354.418 0.916 20 30 FCEDMN COCC#CCN1CC[C@@H]2CN(C(=O)c3ccc(-c4c[nH]nn4)nc3)[C@@H]2C1 ZINC001576953770 1273975985 /nfs/dbraw/zinc/97/59/85/1273975985.db2.gz QCHUXISKCCJIRH-CRAIPNDOSA-N 0 1 366.425 0.663 20 30 FCEDMN Cc1ccn(C[C@@H](C)C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)n1 ZINC001577455669 1274416078 /nfs/dbraw/zinc/41/60/78/1274416078.db2.gz IADJDCJAWAOHIN-CQSZACIVSA-N 0 1 370.461 0.963 20 30 FCEDMN N#CCN1CCOC2(CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)CC2)C1 ZINC001577706302 1274766906 /nfs/dbraw/zinc/76/69/06/1274766906.db2.gz BLSDKNWFFRLNTO-UHFFFAOYSA-N 0 1 367.413 0.697 20 30 FCEDMN N#CCN1CC[C@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)CC[C@H]21 ZINC001577706922 1274767648 /nfs/dbraw/zinc/76/76/48/1274767648.db2.gz YSVDKXDYWMDYJJ-DOTOQJQBSA-N 0 1 357.462 0.463 20 30 FCEDMN N#CCN1CCN([C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]n4)cc3)C2)CC1 ZINC001577706767 1274767967 /nfs/dbraw/zinc/76/79/67/1274767967.db2.gz SOIHSNDGTUJHOI-QGZVFWFLSA-N 0 1 365.441 0.827 20 30 FCEDMN N#Cc1c(NC(=O)c2ccc(-c3cn[nH]n3)cn2)[nH]nc1N1CCOCC1 ZINC001577710243 1274772609 /nfs/dbraw/zinc/77/26/09/1274772609.db2.gz UCBFAIWTGARVQI-UHFFFAOYSA-N 0 1 365.357 0.550 20 30 FCEDMN N#Cc1cc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)c[nH]1 ZINC001577712651 1274774261 /nfs/dbraw/zinc/77/42/61/1274774261.db2.gz UMYSGKZTPNQVKJ-FKSAFCJBSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1ccc(N2CCCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)nn1 ZINC001577715850 1274777711 /nfs/dbraw/zinc/77/77/11/1274777711.db2.gz WQNDNFZQGSAWAS-OAHLLOKOSA-N 0 1 354.418 0.964 20 30 FCEDMN N#Cc1ccc(N2CCCC[C@@H]2CNC(=O)CCCc2cnn[nH]2)nn1 ZINC001577715850 1274777723 /nfs/dbraw/zinc/77/77/23/1274777723.db2.gz WQNDNFZQGSAWAS-OAHLLOKOSA-N 0 1 354.418 0.964 20 30 FCEDMN N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3cn[nH]n3)cn2)cn1 ZINC001577715606 1274778229 /nfs/dbraw/zinc/77/82/29/1274778229.db2.gz SBYPCQSMSTUPHY-HWWDLCQESA-N 0 1 372.392 0.998 20 30 FCEDMN N#Cc1nccc(NC2(CNC(=O)c3cncc(-c4cn[nH]n4)c3)CC2)n1 ZINC001577718921 1274781822 /nfs/dbraw/zinc/78/18/22/1274781822.db2.gz AZHCZKGRVYAOAE-UHFFFAOYSA-N 0 1 361.369 0.903 20 30 FCEDMN O=C(C#CC1CC1)N(Cc1c[nH]nn1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001577742380 1274820099 /nfs/dbraw/zinc/82/00/99/1274820099.db2.gz BXZOOSDGQGQVQK-UHFFFAOYSA-N 0 1 365.437 0.951 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](NC(=O)C2(Cc3c[nH]nn3)CCOCC2)C1 ZINC001577745835 1274822541 /nfs/dbraw/zinc/82/25/41/1274822541.db2.gz MSGGXQMYOSULPL-HNNXBMFYSA-N 0 1 371.441 0.275 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](NC(=O)C2(Cc3cnn[nH]3)CCOCC2)C1 ZINC001577745835 1274822549 /nfs/dbraw/zinc/82/25/49/1274822549.db2.gz MSGGXQMYOSULPL-HNNXBMFYSA-N 0 1 371.441 0.275 20 30 FCEDMN O=C(C#CC1CC1)N1CCN(CCNC(=O)CCCCc2cn[nH]n2)CC1 ZINC001577822330 1274931126 /nfs/dbraw/zinc/93/11/26/1274931126.db2.gz BEVMUWZRSJUZRJ-UHFFFAOYSA-N 0 1 372.473 0.191 20 30 FCEDMN CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccncc1-c1nn[nH]n1 ZINC001578062203 1275358314 /nfs/dbraw/zinc/35/83/14/1275358314.db2.gz VZAOYOFIZPIJKZ-UHFFFAOYSA-N 0 1 351.374 0.718 20 30 FCEDMN CCN1C(=O)N=NC1C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001578735996 1276213936 /nfs/dbraw/zinc/21/39/36/1276213936.db2.gz KGDIHBZKWNXFNO-UHFFFAOYSA-N 0 1 367.377 0.229 20 30 FCEDMN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H]2C#N)cc1Cl ZINC001578829050 1276339212 /nfs/dbraw/zinc/33/92/12/1276339212.db2.gz BHKARDVRJMBFAB-QPUJVOFHSA-N 0 1 358.807 0.908 20 30 FCEDMN COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CNC[C@H]2C#N)cc1Cl ZINC001578829048 1276339933 /nfs/dbraw/zinc/33/99/33/1276339933.db2.gz BHKARDVRJMBFAB-PELKAZGASA-N 0 1 358.807 0.908 20 30 FCEDMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579148196 1276880333 /nfs/dbraw/zinc/88/03/33/1276880333.db2.gz KQUMSVOFUWZSFC-UHFFFAOYSA-N 0 1 352.362 0.065 20 30 FCEDMN CN(Cc1nnc2n1CCCCC2)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579265660 1277061680 /nfs/dbraw/zinc/06/16/80/1277061680.db2.gz MKCZGAKLIPJRMZ-UHFFFAOYSA-N 0 1 351.378 0.483 20 30 FCEDMN COc1cccc([C@@H]2CNCCN2C(=O)NCCn2cnc(C#N)n2)c1 ZINC001579267930 1277065652 /nfs/dbraw/zinc/06/56/52/1277065652.db2.gz JMMGAGDCORPKPW-HNNXBMFYSA-N 0 1 355.402 0.514 20 30 FCEDMN Cc1cc(NC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)ncc1C#N ZINC001579630286 1277687775 /nfs/dbraw/zinc/68/77/75/1277687775.db2.gz MOOYEGSSOASWDR-CQSZACIVSA-N 0 1 356.430 0.937 20 30 FCEDMN COCc1ccc([C@H]2COCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)o1 ZINC001579831152 1277926665 /nfs/dbraw/zinc/92/66/65/1277926665.db2.gz BRPQTNQHYIHWMA-GFCCVEGCSA-N 0 1 368.357 0.846 20 30 FCEDMN N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(F)(F)CN)CCO1 ZINC001580041631 1277997749 /nfs/dbraw/zinc/99/77/49/1277997749.db2.gz FXCALAYZVDVPFA-CYBMUJFWSA-N 0 1 363.372 0.587 20 30 FCEDMN Cc1cc(N2CCC(CO)(NC(=O)[C@@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580956342 1279160458 /nfs/dbraw/zinc/16/04/58/1279160458.db2.gz JSDBXLZWLZLBRX-NSHDSACASA-N 0 1 370.417 0.177 20 30 FCEDMN Cc1cc(NC[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011432 1279238356 /nfs/dbraw/zinc/23/83/56/1279238356.db2.gz KLEPAXKMYDOIDP-MEBBXXQBSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581022878 1279252878 /nfs/dbraw/zinc/25/28/78/1279252878.db2.gz IMYYPKMQGHHKKB-SWLSCSKDSA-N 0 1 365.441 0.912 20 30 FCEDMN Cc1cc(NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026587 1279259037 /nfs/dbraw/zinc/25/90/37/1279259037.db2.gz MPZNABSPEVUIJE-JTQLQIEISA-N 0 1 365.401 0.812 20 30 FCEDMN Cn1nccc1[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 ZINC001581838666 1280591923 /nfs/dbraw/zinc/59/19/23/1280591923.db2.gz ZXVFIZGNOOTQLT-SKDRFNHKSA-N 0 1 352.362 0.594 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)[nH]1 ZINC001581868168 1280625512 /nfs/dbraw/zinc/62/55/12/1280625512.db2.gz LKONAROJNBVAAV-HNNXBMFYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878405 1280635590 /nfs/dbraw/zinc/63/55/90/1280635590.db2.gz KFEOVCHYOIEPTC-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC([N@H+]3CCCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878405 1280635599 /nfs/dbraw/zinc/63/55/99/1280635599.db2.gz KFEOVCHYOIEPTC-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878405 1280635610 /nfs/dbraw/zinc/63/56/10/1280635610.db2.gz KFEOVCHYOIEPTC-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC([N@H+]3CCCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878405 1280635617 /nfs/dbraw/zinc/63/56/17/1280635617.db2.gz KFEOVCHYOIEPTC-UHFFFAOYSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CC[C@]3(C2)c2ccccc2NC3=O)nc1-c1nn[nH]n1 ZINC001581881987 1280642151 /nfs/dbraw/zinc/64/21/51/1280642151.db2.gz HIPMNRNVPYFPOI-KRWDZBQOSA-N 0 1 359.353 0.629 20 30 FCEDMN N#Cc1ncc(NC[C@H](n2cncn2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581883436 1280646113 /nfs/dbraw/zinc/64/61/13/1280646113.db2.gz ZPZIDUWEYCAYNG-ZETCQYMHSA-N 0 1 351.256 0.335 20 30 FCEDMN N#Cc1ncc(N2CCS(=O)(=O)c3ccccc3C2)nc1-c1nn[nH]n1 ZINC001581883260 1280646157 /nfs/dbraw/zinc/64/61/57/1280646157.db2.gz UDBPOLHVZVCXJP-UHFFFAOYSA-N 0 1 368.382 0.322 20 30 FCEDMN N#Cc1ncc(NCCn2ccc(C(F)(F)F)n2)nc1-c1nn[nH]n1 ZINC001581884031 1280650022 /nfs/dbraw/zinc/65/00/22/1280650022.db2.gz HSSHXBFIJJHQOI-UHFFFAOYSA-N 0 1 350.268 0.856 20 30 FCEDMN N#Cc1ncc(NCCN2C[C@@H]3CCCCN3C2=O)nc1-c1nn[nH]n1 ZINC001581884421 1280650697 /nfs/dbraw/zinc/65/06/97/1280650697.db2.gz ZCYFLGLXZCCBCK-JTQLQIEISA-N 0 1 354.378 0.230 20 30 FCEDMN C#C[C@@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C1CCOCC1 ZINC001588328479 1282420513 /nfs/dbraw/zinc/42/05/13/1282420513.db2.gz IBMJQSQEQVTVAT-SNVBAGLBSA-N 0 1 353.429 0.635 20 30 FCEDMN C#C[C@H]1CCCCN1c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CCOC ZINC001588332509 1282425177 /nfs/dbraw/zinc/42/51/77/1282425177.db2.gz LOWGBLMBGPZPOI-NSHDSACASA-N 0 1 368.405 0.487 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588335964 1282428618 /nfs/dbraw/zinc/42/86/18/1282428618.db2.gz DNKFCVKDJXKCLU-CHWSQXEVSA-N 0 1 354.418 0.389 20 30 FCEDMN C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588339816 1282434615 /nfs/dbraw/zinc/43/46/15/1282434615.db2.gz WUAFXNUHAHKWLY-BBRMVZONSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588339817 1282434756 /nfs/dbraw/zinc/43/47/56/1282434756.db2.gz WUAFXNUHAHKWLY-CJNGLKHVSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCCCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588342545 1282439167 /nfs/dbraw/zinc/43/91/67/1282439167.db2.gz BKBRQXDWFYFXEH-ZDUSSCGKSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588354993 1282451920 /nfs/dbraw/zinc/45/19/20/1282451920.db2.gz CVXGCCJVTYOTFF-STQMWFEESA-N 0 1 372.433 0.060 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588357743 1282466545 /nfs/dbraw/zinc/46/65/45/1282466545.db2.gz PWFFLVDDMBDTJH-CYBMUJFWSA-N 0 1 354.414 0.453 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588358822 1282471206 /nfs/dbraw/zinc/47/12/06/1282471206.db2.gz VIEJPSUEGUQDOZ-NWDGAFQWSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588358822 1282471211 /nfs/dbraw/zinc/47/12/11/1282471211.db2.gz VIEJPSUEGUQDOZ-NWDGAFQWSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588359455 1282475075 /nfs/dbraw/zinc/47/50/75/1282475075.db2.gz OQNOXXDEJLWNBL-LBPRGKRZSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588359455 1282475080 /nfs/dbraw/zinc/47/50/80/1282475080.db2.gz OQNOXXDEJLWNBL-LBPRGKRZSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588360455 1282478786 /nfs/dbraw/zinc/47/87/86/1282478786.db2.gz QBKRDKGQZWPFII-CQSZACIVSA-N 0 1 369.429 0.292 20 30 FCEDMN C#CCOCCC(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361228 1282482715 /nfs/dbraw/zinc/48/27/15/1282482715.db2.gz HXCFHNFNJAQFLW-UHFFFAOYSA-N 0 1 357.418 0.553 20 30 FCEDMN C#Cc1cncc(C(=O)NCCCNc2cc(C)[nH+]cc2-c2nnn[n-]2)c1 ZINC001588379484 1282495641 /nfs/dbraw/zinc/49/56/41/1282495641.db2.gz IBRGNUOYBVWAII-UHFFFAOYSA-N 0 1 362.397 0.600 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588391909 1282498174 /nfs/dbraw/zinc/49/81/74/1282498174.db2.gz QYIYIYPGGWQVSB-GFCCVEGCSA-N 0 1 356.434 0.941 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402301 1282499179 /nfs/dbraw/zinc/49/91/79/1282499179.db2.gz FBRMCLPUJDMXHX-QWHCGFSZSA-N 0 1 374.449 0.969 20 30 FCEDMN C=C(C)[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001588402770 1282500676 /nfs/dbraw/zinc/50/06/76/1282500676.db2.gz MSJXEMFOYQWVBN-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CC(C)(C)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001588476299 1282515818 /nfs/dbraw/zinc/51/58/18/1282515818.db2.gz VKVHVZHBSFWWLZ-UHFFFAOYSA-N 0 1 372.433 0.368 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588482261 1282520990 /nfs/dbraw/zinc/52/09/90/1282520990.db2.gz TZABDHUVSCQHIT-NWDGAFQWSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588482264 1282521465 /nfs/dbraw/zinc/52/14/65/1282521465.db2.gz TZABDHUVSCQHIT-VXGBXAGGSA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588492146 1282522592 /nfs/dbraw/zinc/52/25/92/1282522592.db2.gz PAVIEIRNCFHULA-PXAZEXFGSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588497011 1282524987 /nfs/dbraw/zinc/52/49/87/1282524987.db2.gz XHCUYJAJJQICSU-BDJLRTHQSA-N 0 1 360.422 0.224 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588498487 1282525559 /nfs/dbraw/zinc/52/55/59/1282525559.db2.gz ALYYKEFDNHYJKN-KRWDZBQOSA-N 0 1 359.434 0.874 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588496586 1282525650 /nfs/dbraw/zinc/52/56/50/1282525650.db2.gz SQMYIFAWYRJPOS-YVEFUNNKSA-N 0 1 374.449 0.826 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588496947 1282525946 /nfs/dbraw/zinc/52/59/46/1282525946.db2.gz VFQJMNOHVGMYNS-KRWDZBQOSA-N 0 1 359.434 0.749 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501028 1282535079 /nfs/dbraw/zinc/53/50/79/1282535079.db2.gz IKAAIZGQVWVYET-PXAZEXFGSA-N 0 1 372.433 0.411 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588502129 1282536623 /nfs/dbraw/zinc/53/66/23/1282536623.db2.gz QLRTXAWWNMLENJ-PXAZEXFGSA-N 0 1 357.418 0.414 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001588503860 1282542647 /nfs/dbraw/zinc/54/26/47/1282542647.db2.gz GZKHJXWDNMQWHN-INIZCTEOSA-N 0 1 357.418 0.462 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001588505408 1282546900 /nfs/dbraw/zinc/54/69/00/1282546900.db2.gz QFHGGNONLMUJAY-KRWDZBQOSA-N 0 1 371.445 0.852 20 30 FCEDMN C=CC[C@@H](C(=O)NCCNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588529562 1282560962 /nfs/dbraw/zinc/56/09/62/1282560962.db2.gz BZQZUFYGDDRMME-CQSZACIVSA-N 0 1 364.413 0.967 20 30 FCEDMN C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588531781 1282561308 /nfs/dbraw/zinc/56/13/08/1282561308.db2.gz IJQNIPCPCMCJTA-LBPRGKRZSA-N 0 1 359.434 0.517 20 30 FCEDMN C=CCC(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588531726 1282562652 /nfs/dbraw/zinc/56/26/52/1282562652.db2.gz HDNXEGMEDMOYAT-GFCCVEGCSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC[C@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC[NH2+]1 ZINC001588552074 1282567673 /nfs/dbraw/zinc/56/76/73/1282567673.db2.gz MXGPRWKPASAHAH-GOSISDBHSA-N 0 1 368.445 0.609 20 30 FCEDMN C=CCC1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCC1 ZINC001588556736 1282568064 /nfs/dbraw/zinc/56/80/64/1282568064.db2.gz QPJVBPXGUKUERC-IMRBUKKESA-N 0 1 366.429 0.954 20 30 FCEDMN C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588587066 1282574757 /nfs/dbraw/zinc/57/47/57/1282574757.db2.gz QJIVHEIPVIXIRO-GOEBONIOSA-N 0 1 371.445 0.982 20 30 FCEDMN C=CCCCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588588624 1282577357 /nfs/dbraw/zinc/57/73/57/1282577357.db2.gz UYUIULQKEMMOQE-UHFFFAOYSA-N 0 1 372.433 0.200 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588611376 1282590617 /nfs/dbraw/zinc/59/06/17/1282590617.db2.gz SLEIMZICOJBRIP-GOSISDBHSA-N 0 1 371.445 0.927 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588615842 1282593702 /nfs/dbraw/zinc/59/37/02/1282593702.db2.gz KJWPNKBQLGJYKE-JOCQHMNTSA-N 0 1 357.418 0.583 20 30 FCEDMN C=CCCOCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001588616520 1282595727 /nfs/dbraw/zinc/59/57/27/1282595727.db2.gz INCAUAAZPIHKSI-BETUJISGSA-N 0 1 370.417 0.144 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588617706 1282598404 /nfs/dbraw/zinc/59/84/04/1282598404.db2.gz YEILZTWVMCYSEX-QWHCGFSZSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCOCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588617265 1282599908 /nfs/dbraw/zinc/59/99/08/1282599908.db2.gz SDJJPGYRQZWNGL-MRXNPFEDSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCOCC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001588672401 1282626191 /nfs/dbraw/zinc/62/61/91/1282626191.db2.gz VFABYTCNZQNMCX-INIZCTEOSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588674601 1282631720 /nfs/dbraw/zinc/63/17/20/1282631720.db2.gz QDQSTJSZBDATIC-STQMWFEESA-N 0 1 357.418 0.583 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588674301 1282631787 /nfs/dbraw/zinc/63/17/87/1282631787.db2.gz MJXSBCVVXUEAOR-ZFWWWQNUSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1OC ZINC001588675906 1282636151 /nfs/dbraw/zinc/63/61/51/1282636151.db2.gz LBEMWSXCFFFZAO-HZPDHXFCSA-N 0 1 372.429 0.385 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588681403 1282639759 /nfs/dbraw/zinc/63/97/59/1282639759.db2.gz NFCUPIINPLTDOH-ZDUSSCGKSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCOCCCC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588683167 1282643081 /nfs/dbraw/zinc/64/30/81/1282643081.db2.gz YWPNBQOLXVYSEM-ZDUSSCGKSA-N 0 1 372.433 0.582 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)[C@H](C)C1CC1 ZINC001588709983 1282655124 /nfs/dbraw/zinc/65/51/24/1282655124.db2.gz ZKIXKMVSNGRGRY-SNVBAGLBSA-N 0 1 355.410 0.519 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC[C@@H](CF)C1 ZINC001588709977 1282656451 /nfs/dbraw/zinc/65/64/51/1282656451.db2.gz ZGZJHCMKHDEIMD-NSHDSACASA-N 0 1 373.400 0.470 20 30 FCEDMN C=CCn1cc(C(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001588712740 1282656767 /nfs/dbraw/zinc/65/67/67/1282656767.db2.gz CIKVZQJCLFVSRC-NSHDSACASA-N 0 1 368.405 0.294 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](CC)C1 ZINC001588709852 1282658560 /nfs/dbraw/zinc/65/85/60/1282658560.db2.gz WYFNCFHTWFUTSS-LLVKDONJSA-N 0 1 355.410 0.520 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H](C)CN(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001588713763 1282659943 /nfs/dbraw/zinc/65/99/43/1282659943.db2.gz SIURZJWMVLVWQH-NSHDSACASA-N 0 1 368.405 0.294 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588725521 1282676489 /nfs/dbraw/zinc/67/64/89/1282676489.db2.gz GHFSFAAQPWGFGZ-ZENOOKHLSA-N 0 1 369.429 0.856 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001589380115 1282858667 /nfs/dbraw/zinc/85/86/67/1282858667.db2.gz MRQWLGFHAVXANL-ZIAGYGMSSA-N 0 1 353.430 0.992 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001589386922 1282862541 /nfs/dbraw/zinc/86/25/41/1282862541.db2.gz FPFYCMMNPWQXCN-IAGOWNOFSA-N 0 1 368.441 0.578 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001589385310 1282862802 /nfs/dbraw/zinc/86/28/02/1282862802.db2.gz ZGQMSNFNBIXEFC-BETUJISGSA-N 0 1 352.402 0.211 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001589387623 1282863780 /nfs/dbraw/zinc/86/37/80/1282863780.db2.gz NEAYLQDPWGHTBH-CHWSQXEVSA-N 0 1 354.418 0.790 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001589387637 1282865193 /nfs/dbraw/zinc/86/51/93/1282865193.db2.gz NEAYLQDPWGHTBH-OLZOCXBDSA-N 0 1 354.418 0.790 20 30 FCEDMN C[C@H](CNC(=O)CSCC#N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001589856336 1283093549 /nfs/dbraw/zinc/09/35/49/1283093549.db2.gz CTDPJBVPIXQIJJ-SNVBAGLBSA-N 0 1 363.422 0.857 20 30 FCEDMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985216 1283155430 /nfs/dbraw/zinc/15/54/30/1283155430.db2.gz FFTHXUMENHYHJT-JSGCOSHPSA-N 0 1 366.429 0.531 20 30 FCEDMN C[C@@H]1C[N@@H+](C(C)(C)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001590302266 1283440450 /nfs/dbraw/zinc/44/04/50/1283440450.db2.gz SFWXUUMBOBRQBJ-PHIMTYICSA-N 0 1 357.422 0.828 20 30 FCEDMN C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C[C@H](C)N1CC#N ZINC001590313701 1283457338 /nfs/dbraw/zinc/45/73/38/1283457338.db2.gz PQHSITJNZXAKTQ-UWVGGRQHSA-N 0 1 367.460 0.535 20 30 FCEDMN CCCC(=O)NC[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001590538085 1283597648 /nfs/dbraw/zinc/59/76/48/1283597648.db2.gz VLZINWDHEFANQC-LLVKDONJSA-N 0 1 355.406 0.661 20 30 FCEDMN CCO[C@@H](CNc1ccncc1C#N)CNc1ccncc1-c1nn[nH]n1 ZINC001590786204 1283842557 /nfs/dbraw/zinc/84/25/57/1283842557.db2.gz VHWYKZFUFSVATJ-ZDUSSCGKSA-N 0 1 365.401 0.301 20 30 FCEDMN CN(C(=O)C#CC(C)(C)C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001590971711 1284031365 /nfs/dbraw/zinc/03/13/65/1284031365.db2.gz DGILJIHKCIUMJK-ZDUSSCGKSA-N 0 1 368.445 0.777 20 30 FCEDMN CN(CCNCc1ccccc1C#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591104248 1284177829 /nfs/dbraw/zinc/17/78/29/1284177829.db2.gz YIZQCVXBIDSJGA-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN COCC#CCN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001591362983 1284499530 /nfs/dbraw/zinc/49/95/30/1284499530.db2.gz YOTOQNYLPVPWET-CHWSQXEVSA-N 0 1 357.418 0.427 20 30 FCEDMN COc1cc(C#N)ccc1COC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591506910 1284693551 /nfs/dbraw/zinc/69/35/51/1284693551.db2.gz SHJQNMARWLPYMP-VIFPVBQESA-N 0 1 354.330 0.643 20 30 FCEDMN COc1ccc(NC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1Cl ZINC001591608301 1284768768 /nfs/dbraw/zinc/76/87/68/1284768768.db2.gz BZAKDTKTCCUHES-UHFFFAOYSA-N 0 1 373.764 0.818 20 30 FCEDMN CS(C)(=O)=NCC1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001591685101 1284828905 /nfs/dbraw/zinc/82/89/05/1284828905.db2.gz ITMUAYRNMBRPQL-UHFFFAOYSA-N 0 1 361.435 0.472 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001592335532 1285245961 /nfs/dbraw/zinc/24/59/61/1285245961.db2.gz SMJFDPRPOSXTDZ-NSHDSACASA-N 0 1 374.405 0.879 20 30 FCEDMN Cn1cc([C@H](O)C[C@H]2CCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 ZINC001592567732 1285481538 /nfs/dbraw/zinc/48/15/38/1285481538.db2.gz OQYYAASKYFQJEV-DGCLKSJQSA-N 0 1 366.389 0.354 20 30 FCEDMN Cn1cc([C@@H]2CSCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 ZINC001592570449 1285486043 /nfs/dbraw/zinc/48/60/43/1285486043.db2.gz UMKXLADYGJRHCE-NSHDSACASA-N 0 1 354.403 0.556 20 30 FCEDMN N#CC1(CNC[C@@H](O)COc2ccccc2-c2nn[nH]n2)CCOCC1 ZINC001592668926 1285566165 /nfs/dbraw/zinc/56/61/65/1285566165.db2.gz BREPBBJMSZAQBB-CYBMUJFWSA-N 0 1 358.402 0.516 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001592679406 1285576832 /nfs/dbraw/zinc/57/68/32/1285576832.db2.gz POEIADPLHUNRNQ-LBPRGKRZSA-N 0 1 372.458 0.994 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001592679649 1285578246 /nfs/dbraw/zinc/57/82/46/1285578246.db2.gz XQJWFTHHYMPRLM-GHMZBOCLSA-N 0 1 373.446 0.175 20 30 FCEDMN N#CCSCC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592680239 1285578328 /nfs/dbraw/zinc/57/83/28/1285578328.db2.gz IPONZMNHBQXHPT-NSHDSACASA-N 0 1 358.431 0.343 20 30 FCEDMN N#Cc1c[nH]c(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001592686874 1285582974 /nfs/dbraw/zinc/58/29/74/1285582974.db2.gz WMOHYQUEWIOGLC-UHFFFAOYSA-N 0 1 362.397 0.928 20 30 FCEDMN N#Cc1ncc(NCCCNC(=O)c2cccc(O)c2)nc1-c1nn[nH]n1 ZINC001592710758 1285595186 /nfs/dbraw/zinc/59/51/86/1285595186.db2.gz YCSBMHUOLMGFNK-UHFFFAOYSA-N 0 1 365.357 0.466 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001592768112 1285693702 /nfs/dbraw/zinc/69/37/02/1285693702.db2.gz CVJVEWFQPYANDU-IAGOWNOFSA-N 0 1 366.425 0.332 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602724181 1287082241 /nfs/dbraw/zinc/08/22/41/1287082241.db2.gz BNZGNLODDFXQDJ-MLGOLLRUSA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCNC(=O)CN1CC[NH+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC001602725535 1287082904 /nfs/dbraw/zinc/08/29/04/1287082904.db2.gz XFIXBXCSZXXZOS-VMPITWQZSA-N 0 1 371.437 0.530 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602725644 1287084228 /nfs/dbraw/zinc/08/42/28/1287084228.db2.gz LNSDFSUUBNKCSL-QWHCGFSZSA-N 0 1 355.402 0.125 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001602724860 1287084838 /nfs/dbraw/zinc/08/48/38/1287084838.db2.gz HLNPGFNHWPMKPY-MCIONIFRSA-N 0 1 367.413 0.195 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001602725826 1287085447 /nfs/dbraw/zinc/08/54/47/1287085447.db2.gz NKZQXOITHFVGMI-DOMZBBRYSA-N 0 1 357.418 0.275 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001602725828 1287085470 /nfs/dbraw/zinc/08/54/70/1287085470.db2.gz NKZQXOITHFVGMI-IUODEOHRSA-N 0 1 357.418 0.275 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001602727201 1287092329 /nfs/dbraw/zinc/09/23/29/1287092329.db2.gz WUCKAIVUELNOTA-CYBMUJFWSA-N 0 1 372.433 0.368 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001602737497 1287099191 /nfs/dbraw/zinc/09/91/91/1287099191.db2.gz SUFDAIUUMAHRMD-CYBMUJFWSA-N 0 1 374.408 0.894 20 30 FCEDMN C#Cc1ccc(C(=O)NCCN(CC)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001602740013 1287100816 /nfs/dbraw/zinc/10/08/16/1287100816.db2.gz UBRUVKQPMOWHAO-UHFFFAOYSA-N 0 1 363.385 0.289 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001602745321 1287102781 /nfs/dbraw/zinc/10/27/81/1287102781.db2.gz AIJDZDKDAOXJDK-OTVXOJSOSA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2ccncc2-c2nn[nH]n2)c1 ZINC001602745543 1287103107 /nfs/dbraw/zinc/10/31/07/1287103107.db2.gz JHSOUKJGFSZXHC-CQSZACIVSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H](CC)Nc2ccncc2-c2nn[nH]n2)c1 ZINC001602745542 1287103428 /nfs/dbraw/zinc/10/34/28/1287103428.db2.gz JHSOUKJGFSZXHC-AWEZNQCLSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001602759652 1287107287 /nfs/dbraw/zinc/10/72/87/1287107287.db2.gz MZQLMYKFMDROSV-CVEARBPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001602782629 1287113135 /nfs/dbraw/zinc/11/31/35/1287113135.db2.gz CRXVTEFADYYMFG-GFCCVEGCSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602792380 1287117129 /nfs/dbraw/zinc/11/71/29/1287117129.db2.gz FVRINJZBIOQNOS-FZKQIMNGSA-N 0 1 371.445 0.840 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602793914 1287118871 /nfs/dbraw/zinc/11/88/71/1287118871.db2.gz GBPQPEYDAWTGMH-KRWDZBQOSA-N 0 1 359.434 0.792 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602810047 1287121851 /nfs/dbraw/zinc/12/18/51/1287121851.db2.gz ZZYJQNMKZATZGC-LBPRGKRZSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCCCC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001602831975 1287128076 /nfs/dbraw/zinc/12/80/76/1287128076.db2.gz JHTHGKDANKIVMH-UHFFFAOYSA-N 0 1 371.445 0.805 20 30 FCEDMN C=CCCOCC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602844840 1287134317 /nfs/dbraw/zinc/13/43/17/1287134317.db2.gz SBPKKUZKHSAHAE-UHFFFAOYSA-N 0 1 370.417 0.502 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602844247 1287134506 /nfs/dbraw/zinc/13/45/06/1287134506.db2.gz MRQUAMPRPMVOKB-OLZOCXBDSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CCN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CCCOCC ZINC001602849562 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374.408 0.633 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001573288741 946875620 /nfs/dbraw/zinc/87/56/20/946875620.db2.gz YJOVMRAFCHNNEE-JSGCOSHPSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001573288741 946875629 /nfs/dbraw/zinc/87/56/29/946875629.db2.gz YJOVMRAFCHNNEE-JSGCOSHPSA-N 0 1 374.470 0.905 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001573293340 946955813 /nfs/dbraw/zinc/95/58/13/946955813.db2.gz SVJMWMISCJRDAP-HIFRSBDPSA-N 0 1 371.445 0.838 20 30 FCEDMN C=C(Br)CNC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573293487 946958448 /nfs/dbraw/zinc/95/84/48/946958448.db2.gz XUIRYZBRPWSCOK-MRVPVSSYSA-N 0 1 354.212 0.811 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573562276 946972509 /nfs/dbraw/zinc/97/25/09/946972509.db2.gz RSVXTRJICRTFAT-GXFFZTMASA-N 0 1 361.381 0.074 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573565703 947014100 /nfs/dbraw/zinc/01/41/00/947014100.db2.gz URBGHYUAINZRPH-MNOVXSKESA-N 0 1 355.406 0.277 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573567318 947043968 /nfs/dbraw/zinc/04/39/68/947043968.db2.gz MAHVODIFTGWQQK-CHWSQXEVSA-N 0 1 354.418 0.884 20 30 FCEDMN C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)C1 ZINC001602700628 971318677 /nfs/dbraw/zinc/31/86/77/971318677.db2.gz BOUQAHDZYLDOJP-UXLLHSPISA-N 0 1 373.457 0.717 20 30 FCEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)C1 ZINC001602700628 971318685 /nfs/dbraw/zinc/31/86/85/971318685.db2.gz BOUQAHDZYLDOJP-UXLLHSPISA-N 0 1 373.457 0.717 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573568049 947064508 /nfs/dbraw/zinc/06/45/08/947064508.db2.gz WVAIHNILIUKNPT-VXGBXAGGSA-N 0 1 355.406 0.634 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573571125 947100793 /nfs/dbraw/zinc/10/07/93/947100793.db2.gz ZIJIRENGIJBXBA-UPJWGTAASA-N 0 1 352.402 0.706 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573573118 947119753 /nfs/dbraw/zinc/11/97/53/947119753.db2.gz MQKYHQGKRQMIPN-AAEUAGOBSA-N 0 1 369.433 0.715 20 30 FCEDMN C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573575335 947137338 /nfs/dbraw/zinc/13/73/38/947137338.db2.gz XHOZROZVPJMYBG-QVVZTSRFSA-N 0 1 353.390 0.078 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573575396 947139377 /nfs/dbraw/zinc/13/93/77/947139377.db2.gz YKQLMMIVPGSKHN-JQWIXIFHSA-N 0 1 355.406 0.325 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573577091 947159875 /nfs/dbraw/zinc/15/98/75/947159875.db2.gz LZBMKCRTGLGWKC-PIGZYNQJSA-N 0 1 373.392 0.218 20 30 FCEDMN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573326760 947376946 /nfs/dbraw/zinc/37/69/46/947376946.db2.gz UCVOXIMOIDJMGH-BETUJISGSA-N 0 1 354.418 0.906 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573334398 947454181 /nfs/dbraw/zinc/45/41/81/947454181.db2.gz MZSLDYYRCIRJTJ-NEPJUHHUSA-N 0 1 358.406 0.069 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573337145 947514227 /nfs/dbraw/zinc/51/42/27/947514227.db2.gz VECOKLXPMPRNOR-VXGBXAGGSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001573343837 947563662 /nfs/dbraw/zinc/56/36/62/947563662.db2.gz TUFWPGOYUPPVOJ-RYUDHWBXSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CCn1cc(C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)nn1 ZINC001573350240 947592102 /nfs/dbraw/zinc/59/21/02/947592102.db2.gz AIBFPDBJPCSTED-NSHDSACASA-N 0 1 368.405 0.082 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573358440 947663488 /nfs/dbraw/zinc/66/34/88/947663488.db2.gz KRMHFZGEDAGTGJ-ZDUSSCGKSA-N 0 1 354.418 0.935 20 30 FCEDMN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574744778 950364387 /nfs/dbraw/zinc/36/43/87/950364387.db2.gz BCOUCQFJMVMYQP-SNVBAGLBSA-N 0 1 351.374 0.456 20 30 FCEDMN CC1(C)[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H]1N1CCOCC1 ZINC001575622260 950635812 /nfs/dbraw/zinc/63/58/12/950635812.db2.gz ALXCMRZMEIMQPI-NEPJUHHUSA-N 0 1 355.406 0.440 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571006377 951176732 /nfs/dbraw/zinc/17/67/32/951176732.db2.gz DSJSFYJGZIPJPH-BMIGLBTASA-N 0 1 363.385 0.456 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571006449 951178943 /nfs/dbraw/zinc/17/89/43/951178943.db2.gz GRQZIBQGZVBDRG-GFCCVEGCSA-N 0 1 363.385 0.518 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001571055926 951865108 /nfs/dbraw/zinc/86/51/08/951865108.db2.gz QVVCUJPPGBBMOT-UWVGGRQHSA-N 0 1 369.389 0.726 20 30 FCEDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001593966702 956555723 /nfs/dbraw/zinc/55/57/23/956555723.db2.gz MXOZCGUEIIBHLV-LJQANCHMSA-N 0 1 356.378 0.709 20 30 FCEDMN C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001573313699 962736893 /nfs/dbraw/zinc/73/68/93/962736893.db2.gz PJVPSAZEWFAPME-INIZCTEOSA-N 0 1 359.382 0.474 20 30 FCEDMN CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001603723683 974156199 /nfs/dbraw/zinc/15/61/99/974156199.db2.gz AFLSSEMNHHJCFA-RBSFLKMASA-N 0 1 361.446 0.918 20 30 FCEDMN C=CCOC[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)[O-] ZINC000909771121 981613381 /nfs/dbraw/zinc/61/33/81/981613381.db2.gz MVGJHVIGRXSDNT-KRWDZBQOSA-N 0 1 361.442 0.820 20 30 FCEDMN C#CCN(CC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)C(=O)OC(C)(C)C ZINC001588465978 983497541 /nfs/dbraw/zinc/49/75/41/983497541.db2.gz PSPNWLNTCUVMNZ-CQSZACIVSA-N 0 1 367.446 0.864 20 30 FCEDMN C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001588477211 983514926 /nfs/dbraw/zinc/51/49/26/983514926.db2.gz LTEADCGDCRBXOL-ZWKOTPCHSA-N 0 1 355.438 0.564 20 30 FCEDMN C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001588477298 983515356 /nfs/dbraw/zinc/51/53/56/983515356.db2.gz XSMMFTQSNNDGFH-KBPBESRZSA-N 0 1 360.418 0.420 20 30 FCEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001588477298 983515359 /nfs/dbraw/zinc/51/53/59/983515359.db2.gz XSMMFTQSNNDGFH-KBPBESRZSA-N 0 1 360.418 0.420 20 30 FCEDMN C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C(=O)[O-] ZINC001588855870 984395190 /nfs/dbraw/zinc/39/51/90/984395190.db2.gz QENWMDOFBUBAPW-ZNMIVQPWSA-N 0 1 367.446 0.091 20 30 FCEDMN CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C#N)(C(=O)[O-])CC1 ZINC001596570165 984463184 /nfs/dbraw/zinc/46/31/84/984463184.db2.gz LJCHXHGBAXVLBG-ZDUSSCGKSA-N 0 1 351.403 0.621 20 30 FCEDMN C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588896726 984504274 /nfs/dbraw/zinc/50/42/74/984504274.db2.gz LAIJJAUNGGEKEX-JSGCOSHPSA-N 0 1 372.433 0.972 20 30 FCEDMN C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588896726 984504280 /nfs/dbraw/zinc/50/42/80/984504280.db2.gz LAIJJAUNGGEKEX-JSGCOSHPSA-N 0 1 372.433 0.972 20 30 FCEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001599712464 991394991 /nfs/dbraw/zinc/39/49/91/991394991.db2.gz FANRHRYUCCTKKC-UGSOOPFHSA-N 0 1 361.398 0.852 20 30 FCEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001599712464 991394996 /nfs/dbraw/zinc/39/49/96/991394996.db2.gz FANRHRYUCCTKKC-UGSOOPFHSA-N 0 1 361.398 0.852 20 30 FCEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001599712456 991395164 /nfs/dbraw/zinc/39/51/64/991395164.db2.gz FANRHRYUCCTKKC-ACJLOTCBSA-N 0 1 361.398 0.852 20 30 FCEDMN 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DFOJXTFHRUUZHY-WBVHZDCISA-N 0 1 361.442 0.493 20 30 FCEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001086623031 1201337977 /nfs/dbraw/zinc/33/79/77/1201337977.db2.gz GYDFDWDFRWDBFJ-JKSUJKDBSA-N 0 1 356.426 0.651 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@@H]1n1ccnn1 ZINC001129579263 1201350729 /nfs/dbraw/zinc/35/07/29/1201350729.db2.gz ZITICMPSKCIPAE-XHSDSOJGSA-N 0 1 358.446 0.278 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@@H]1n1ccnn1 ZINC001129650420 1201367505 /nfs/dbraw/zinc/36/75/05/1201367505.db2.gz FQMGTSKLJRZLRY-QMYXEOBLSA-N 0 1 358.446 0.114 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@@H]1n1ccnn1 ZINC001129650100 1201367645 /nfs/dbraw/zinc/36/76/45/1201367645.db2.gz CKSMOLPKDFOMKB-WMJILQFUSA-N 0 1 360.462 0.667 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@@H]1n1ccnn1 ZINC001129696424 1201372683 /nfs/dbraw/zinc/37/26/83/1201372683.db2.gz VASPNHIQTSINNA-UAGQMJEPSA-N 0 1 361.446 0.085 20 30 FCEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@@H]1n1ccnn1 ZINC001129727634 1201380057 /nfs/dbraw/zinc/38/00/57/1201380057.db2.gz IZAGJMSEGYWTQV-IMJJTQAJSA-N 0 1 371.445 0.261 20 30 FCEDMN C=CCOCCCC(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129733641 1201380793 /nfs/dbraw/zinc/38/07/93/1201380793.db2.gz ZUCGIWAJCPLAPV-SJORKVTESA-N 0 1 361.446 0.252 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@@H]1n1ccnn1 ZINC001129753925 1201383445 /nfs/dbraw/zinc/38/34/45/1201383445.db2.gz TUSHXRQCPLXGHI-ZACQAIPSSA-N 0 1 356.430 0.332 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001129777836 1201394642 /nfs/dbraw/zinc/39/46/42/1201394642.db2.gz FLNZTUHQQDGEPJ-CABCVRRESA-N 0 1 356.434 0.440 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@@H]1n1ccnn1 ZINC001129857551 1201406269 /nfs/dbraw/zinc/40/62/69/1201406269.db2.gz AIGNGZGECNVERP-SJORKVTESA-N 0 1 367.457 0.958 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@@H]1n1ccnn1 ZINC001129864338 1201407764 /nfs/dbraw/zinc/40/77/64/1201407764.db2.gz WLMWBICFBHSCAN-SJORKVTESA-N 0 1 367.457 0.418 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@@H]2CCN(CC=C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129833602 1201409041 /nfs/dbraw/zinc/40/90/41/1201409041.db2.gz BOSOASFBOXHVEO-ZACQAIPSSA-N 0 1 370.457 0.210 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ccncc2C)C[C@@H]1n1ccnn1 ZINC001129834142 1201409575 /nfs/dbraw/zinc/40/95/75/1201409575.db2.gz MXNHRRDKWLGWPA-SJORKVTESA-N 0 1 354.414 0.287 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1n1ccnn1 ZINC001129837833 1201410531 /nfs/dbraw/zinc/41/05/31/1201410531.db2.gz MVFKMLOLJJTMLC-WBVHZDCISA-N 0 1 355.446 0.814 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)N[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129883959 1201412800 /nfs/dbraw/zinc/41/28/00/1201412800.db2.gz BCKWCKCZGVACFP-OAGGEKHMSA-N 0 1 362.478 0.891 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001129887658 1201413542 /nfs/dbraw/zinc/41/35/42/1201413542.db2.gz KTCYBFFFCKKSFM-ZNMIVQPWSA-N 0 1 367.400 0.705 20 30 FCEDMN C=CCC(CC=C)C(=O)N1C[C@@H](N[C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129867058 1201417077 /nfs/dbraw/zinc/41/70/77/1201417077.db2.gz NXGBLDBAMHHNJE-BMFZPTHFSA-N 0 1 360.462 0.523 20 30 FCEDMN C=CCC(CC=C)C(=O)N1C[C@@H](N[C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129867059 1201417225 /nfs/dbraw/zinc/41/72/25/1201417225.db2.gz NXGBLDBAMHHNJE-IMJJTQAJSA-N 0 1 360.462 0.523 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@@H]1n1ccnn1 ZINC001129876275 1201419480 /nfs/dbraw/zinc/41/94/80/1201419480.db2.gz IGSVTYGLDGCQGM-WBVHZDCISA-N 0 1 353.430 0.568 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ncn3ccc(C)cc23)C[C@@H]1n1ccnn1 ZINC001129916953 1201427216 /nfs/dbraw/zinc/42/72/16/1201427216.db2.gz IKCZWFXVHMQVHI-WBVHZDCISA-N 0 1 363.425 0.913 20 30 FCEDMN CCc1cnccc1C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129917175 1201427902 /nfs/dbraw/zinc/42/79/02/1201427902.db2.gz NMMXFQVPBKXZPB-MSOLQXFVSA-N 0 1 368.441 0.541 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)no2)C[C@@H]1n1ccnn1 ZINC001129902271 1201434066 /nfs/dbraw/zinc/43/40/66/1201434066.db2.gz BWQHZHMFCXLYOJ-MNOVXSKESA-N 0 1 368.319 0.964 20 30 FCEDMN C#C[C@](C)(N)C(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219896547 1224673048 /nfs/dbraw/zinc/67/30/48/1224673048.db2.gz XUFZXGUKJUBGCK-KXBFYZLASA-N 0 1 353.426 0.069 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001129933863 1201435543 /nfs/dbraw/zinc/43/55/43/1201435543.db2.gz BJZLWJHLULEORX-CVEARBPZSA-N 0 1 354.414 0.824 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ocnc2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129943088 1201437603 /nfs/dbraw/zinc/43/76/03/1201437603.db2.gz MQVVFHCNFMXNQK-MNOVXSKESA-N 0 1 368.319 0.964 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1n1ccnn1 ZINC001129918725 1201440583 /nfs/dbraw/zinc/44/05/83/1201440583.db2.gz HGNFYCZNWVMMOR-MSOLQXFVSA-N 0 1 368.441 0.297 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COCCOc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129923402 1201443114 /nfs/dbraw/zinc/44/31/14/1201443114.db2.gz ANOMMTYLSJHBJQ-MSOLQXFVSA-N 0 1 369.425 0.348 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129952385 1201448161 /nfs/dbraw/zinc/44/81/61/1201448161.db2.gz RDFDRTVGUKBQST-KFWWJZLASA-N 0 1 360.462 0.194 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129956978 1201450235 /nfs/dbraw/zinc/45/02/35/1201450235.db2.gz QQWAUWWRVPYUAL-MSOLQXFVSA-N 0 1 368.441 0.297 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@@H]1n1ccnn1 ZINC001129959180 1201451479 /nfs/dbraw/zinc/45/14/79/1201451479.db2.gz LOEJIAMRCQXDKE-VKJFTORMSA-N 0 1 358.446 0.278 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C[C@H](C)n2ccc(C)n2)C[C@@H]1n1ccnn1 ZINC001129963872 1201453184 /nfs/dbraw/zinc/45/31/84/1201453184.db2.gz KBVDZMIBCZVLNV-BBWFWOEESA-N 0 1 355.446 0.799 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001129977734 1201460272 /nfs/dbraw/zinc/46/02/72/1201460272.db2.gz DJSAXRINKUFYMR-KFWWJZLASA-N 0 1 358.450 0.849 20 30 FCEDMN C=C(C)C[C@H](C)C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129978158 1201460397 /nfs/dbraw/zinc/46/03/97/1201460397.db2.gz TXVAHQJNFIQFHC-XHSDSOJGSA-N 0 1 362.478 0.747 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(=C)C)C[C@@H]1n1ccnn1 ZINC001129978193 1201460488 /nfs/dbraw/zinc/46/04/88/1201460488.db2.gz VFDPFZUYONUHBS-XHSDSOJGSA-N 0 1 360.462 0.524 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001129980540 1201461158 /nfs/dbraw/zinc/46/11/58/1201461158.db2.gz MUBDIQJZQNUJKZ-SJORKVTESA-N 0 1 368.441 0.603 20 30 FCEDMN C=CCC1(C(=O)N2C[C@@H](NCc3n[nH]c(C)n3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129994512 1201464930 /nfs/dbraw/zinc/46/49/30/1201464930.db2.gz SEYILAMRENJDDT-CABCVRRESA-N 0 1 370.461 0.993 20 30 FCEDMN C=CCCC1(C(=O)N2C[C@@H](N[C@H](C)C(=O)NC)[C@@H](n3ccnn3)C2)CC1 ZINC001129999068 1201466637 /nfs/dbraw/zinc/46/66/37/1201466637.db2.gz JCEOORGFMWJTSB-KFWWJZLASA-N 0 1 360.462 0.501 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@](C)(C=C)CC)C[C@@H]1n1ccnn1 ZINC001129999005 1201466739 /nfs/dbraw/zinc/46/67/39/1201466739.db2.gz DZLFEJWOWGSZDO-RVKKMQEKSA-N 0 1 360.462 0.524 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001130012137 1201471190 /nfs/dbraw/zinc/47/11/90/1201471190.db2.gz QSRMAUVLBGEZBX-VQHPVUNQSA-N 0 1 372.473 0.051 20 30 FCEDMN CCc1c(C(=O)N2C[C@@H](NCC#CCOC)[C@@H](n3ccnn3)C2)ccn1C ZINC001130014368 1201471892 /nfs/dbraw/zinc/47/18/92/1201471892.db2.gz JKYZOXOSTIEEAX-AEFFLSMTSA-N 0 1 370.457 0.484 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@@H]1n1ccnn1 ZINC001130014960 1201472984 /nfs/dbraw/zinc/47/29/84/1201472984.db2.gz JTKBWGYPCZBEAA-MSOLQXFVSA-N 0 1 369.425 0.731 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](N[C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001130023070 1201474983 /nfs/dbraw/zinc/47/49/83/1201474983.db2.gz UWYHVPQODGWPEC-KFWWJZLASA-N 0 1 360.462 0.453 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@@H]1n1ccnn1 ZINC001130023140 1201475328 /nfs/dbraw/zinc/47/53/28/1201475328.db2.gz XGTGYSRBTJKUND-SJORKVTESA-N 0 1 371.445 0.361 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@@H]1n1ccnn1 ZINC001130026378 1201479737 /nfs/dbraw/zinc/47/97/37/1201479737.db2.gz NKWMMMPBIORGIE-CVEARBPZSA-N 0 1 364.413 0.308 20 30 FCEDMN C=CCn1cc(C(=O)N2C[C@@H](NC[C@@H](F)CC)[C@@H](n3ccnn3)C2)nn1 ZINC001130033069 1201481712 /nfs/dbraw/zinc/48/17/12/1201481712.db2.gz RRODWCCETYIADP-GUTXKFCHSA-N 0 1 362.413 0.459 20 30 FCEDMN CC[C@@H](C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001130050165 1201482807 /nfs/dbraw/zinc/48/28/07/1201482807.db2.gz LVSHKYUKSZHKRT-KFWWJZLASA-N 0 1 361.450 0.086 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H](C)CC)C[C@@H]1n1ccnn1 ZINC001130050281 1201483754 /nfs/dbraw/zinc/48/37/54/1201483754.db2.gz QTEUMFIZLLIXGI-OAGGEKHMSA-N 0 1 362.478 0.748 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 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/nfs/dbraw/zinc/76/81/59/1271768159.db2.gz QWDDLAICHGROLJ-GXTWGEPZSA-N 0 1 352.398 0.891 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575179297 1271769741 /nfs/dbraw/zinc/76/97/41/1271769741.db2.gz SZGYRBCLJNZMEP-CFVMTHIKSA-N 0 1 359.434 0.036 20 30 FCEDMN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@H]12 ZINC001575222295 1271814206 /nfs/dbraw/zinc/81/42/06/1271814206.db2.gz KPVBPZKZSUKTOM-AZOIQLNYSA-N 0 1 370.457 0.336 20 30 FCEDMN CC(C)C#CC(=O)N1CCN(C2CN(C(=O)CCCc3c[nH]nn3)C2)CC1 ZINC001575318671 1271917776 /nfs/dbraw/zinc/91/77/76/1271917776.db2.gz NUQVABRUXMBPPA-UHFFFAOYSA-N 0 1 372.473 0.142 20 30 FCEDMN CC(C)C#CC(=O)N1CCN(C2CN(C(=O)CCCc3cnn[nH]3)C2)CC1 ZINC001575318671 1271917787 /nfs/dbraw/zinc/91/77/87/1271917787.db2.gz NUQVABRUXMBPPA-UHFFFAOYSA-N 0 1 372.473 0.142 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CCCCc1cn[nH]n1 ZINC001575318017 1271919324 /nfs/dbraw/zinc/91/93/24/1271919324.db2.gz FYEQZQJMZUFJHY-INIZCTEOSA-N 0 1 361.446 0.521 20 30 FCEDMN C[C@H](CN(C)C(=O)[C@@H](C)OCc1c[nH]nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001575556233 1272194967 /nfs/dbraw/zinc/19/49/67/1272194967.db2.gz WLGCAEAFOFAGDQ-GHMZBOCLSA-N 0 1 359.390 0.186 20 30 FCEDMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001575637078 1272245794 /nfs/dbraw/zinc/24/57/94/1272245794.db2.gz VALREBCZQSMSTJ-GFCCVEGCSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)[C@@H](CNC(=O)C#CC1CC1)C1CC1 ZINC001575717831 1272365330 /nfs/dbraw/zinc/36/53/30/1272365330.db2.gz GEAIZXXNFJGACK-WBMJQRKESA-N 0 1 359.430 0.476 20 30 FCEDMN C[C@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575719229 1272367637 /nfs/dbraw/zinc/36/76/37/1272367637.db2.gz VQPGCWVHCQOMDO-STQMWFEESA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001575822806 1272482600 /nfs/dbraw/zinc/48/26/00/1272482600.db2.gz MHYNRGPUUFQLCQ-YPMHNXCESA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001575827752 1272493638 /nfs/dbraw/zinc/49/36/38/1272493638.db2.gz QYDRUHDEJJHNRI-STQMWFEESA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC1(C)CCN(C(=O)C#CC2CC2)CC1 ZINC001575855430 1272529438 /nfs/dbraw/zinc/52/94/38/1272529438.db2.gz UXAZAXUYXXCSFI-CQSZACIVSA-N 0 1 373.457 0.868 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 ZINC001575862446 1272535472 /nfs/dbraw/zinc/53/54/72/1272535472.db2.gz KJJKYBBTEGMRKR-SMDDNHRTSA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C ZINC001575880456 1272545672 /nfs/dbraw/zinc/54/56/72/1272545672.db2.gz VHKGEFFDGCHXDW-JHJVBQTASA-N 0 1 370.417 0.260 20 30 FCEDMN C[C@]1(NC(=O)CCOCc2c[nH]nn2)CCN(c2ccc(C#N)cn2)C1 ZINC001576000172 1272679901 /nfs/dbraw/zinc/67/99/01/1272679901.db2.gz UWTAGJWERZXLMV-KRWDZBQOSA-N 0 1 355.402 0.763 20 30 FCEDMN C[C@H]1[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)CCN1C(=O)C#CC1CC1 ZINC001576025988 1272728794 /nfs/dbraw/zinc/72/87/94/1272728794.db2.gz JILSVJSYFIWORM-SWLSCSKDSA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576051789 1272781678 /nfs/dbraw/zinc/78/16/78/1272781678.db2.gz IPRRKOKUXPCZJE-GXFFZTMASA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001576111633 1272899970 /nfs/dbraw/zinc/89/99/70/1272899970.db2.gz ZNQJLQXHACWXNP-STQMWFEESA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001576111633 1272899979 /nfs/dbraw/zinc/89/99/79/1272899979.db2.gz ZNQJLQXHACWXNP-STQMWFEESA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001576111631 1272901326 /nfs/dbraw/zinc/90/13/26/1272901326.db2.gz ZNQJLQXHACWXNP-QWHCGFSZSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001576111631 1272901331 /nfs/dbraw/zinc/90/13/31/1272901331.db2.gz ZNQJLQXHACWXNP-QWHCGFSZSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC001576123631 1272917105 /nfs/dbraw/zinc/91/71/05/1272917105.db2.gz LHCWVZXUFMTEIE-WFASDCNBSA-N 0 1 355.402 0.937 20 30 FCEDMN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCCc1c[nH]nn1 ZINC001576130434 1272930570 /nfs/dbraw/zinc/93/05/70/1272930570.db2.gz IVVXWNOWTBRKGD-XHDPSFHLSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCCc1cnn[nH]1 ZINC001576130434 1272930574 /nfs/dbraw/zinc/93/05/74/1272930574.db2.gz IVVXWNOWTBRKGD-XHDPSFHLSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576300511 1273111630 /nfs/dbraw/zinc/11/16/30/1273111630.db2.gz YBLSJQUAAPGPNN-BMIGLBTASA-N 0 1 363.385 0.456 20 30 FCEDMN CCCOCC(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)C#CC2CC2)CC1 ZINC001576490082 1273341078 /nfs/dbraw/zinc/34/10/78/1273341078.db2.gz QLSCFQAMTMVMIT-UHFFFAOYSA-N 0 1 373.457 0.964 20 30 FCEDMN CCc1nc(C#N)cc(N(C)[C@@H](C)CNC(=O)CCOCc2c[nH]nn2)n1 ZINC001576653991 1273509359 /nfs/dbraw/zinc/50/93/59/1273509359.db2.gz SRAZZWFUJTXCKX-LBPRGKRZSA-N 0 1 372.433 0.577 20 30 FCEDMN CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2c[nH]nn2)n1 ZINC001576656419 1273520403 /nfs/dbraw/zinc/52/04/03/1273520403.db2.gz JFNNNXKXGVWJJE-UOIKSKOESA-N 0 1 366.429 0.602 20 30 FCEDMN CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2cnn[nH]2)n1 ZINC001576656419 1273520408 /nfs/dbraw/zinc/52/04/08/1273520408.db2.gz JFNNNXKXGVWJJE-UOIKSKOESA-N 0 1 366.429 0.602 20 30 FCEDMN CN(C(=O)C#CC1CC1)[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001576713914 1273583937 /nfs/dbraw/zinc/58/39/37/1273583937.db2.gz XRKACIQUBRKWQI-OAHLLOKOSA-N 0 1 364.409 0.953 20 30 FCEDMN CN(C[C@H]1CCCN(C(=O)CCOCc2c[nH]nn2)C1)C(=O)C#CC1CC1 ZINC001576774436 1273654530 /nfs/dbraw/zinc/65/45/30/1273654530.db2.gz QBJPBMSYOCRRHH-MRXNPFEDSA-N 0 1 373.457 0.822 20 30 FCEDMN CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)CCCc1c[nH]nn1 ZINC001576782948 1273671257 /nfs/dbraw/zinc/67/12/57/1273671257.db2.gz MXUGDNAHAXHPAF-CYBMUJFWSA-N 0 1 369.429 0.948 20 30 FCEDMN CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)CCCc1cnn[nH]1 ZINC001576782948 1273671265 /nfs/dbraw/zinc/67/12/65/1273671265.db2.gz MXUGDNAHAXHPAF-CYBMUJFWSA-N 0 1 369.429 0.948 20 30 FCEDMN CN(C[C@H]1CCN1C(=O)CCCCc1cn[nH]n1)C(=O)CSCC#N ZINC001576783005 1273672278 /nfs/dbraw/zinc/67/22/78/1273672278.db2.gz OOERMWMPQCAJKT-CQSZACIVSA-N 0 1 364.475 0.834 20 30 FCEDMN CN(CCN(C)C(=O)C1(Cc2c[nH]nn2)CCC1)C(=O)CSCC#N ZINC001576813104 1273728251 /nfs/dbraw/zinc/72/82/51/1273728251.db2.gz KLUYSXQKTZLFKP-UHFFFAOYSA-N 0 1 364.475 0.691 20 30 FCEDMN CN(CCN(C)C(=O)C1(Cc2cnn[nH]2)CCC1)C(=O)CSCC#N ZINC001576813104 1273728254 /nfs/dbraw/zinc/72/82/54/1273728254.db2.gz KLUYSXQKTZLFKP-UHFFFAOYSA-N 0 1 364.475 0.691 20 30 FCEDMN CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576885467 1273877151 /nfs/dbraw/zinc/87/71/51/1273877151.db2.gz GRWVFJWVUMIUNO-LLVKDONJSA-N 0 1 365.401 0.812 20 30 FCEDMN COCC(=O)N(Cc1c[nH]nn1)C1CCN(c2ncc(C#N)cc2F)CC1 ZINC001576951004 1273970057 /nfs/dbraw/zinc/97/00/57/1273970057.db2.gz HTDYTMDQLQDKOS-UHFFFAOYSA-N 0 1 373.392 0.854 20 30 FCEDMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001577120720 1274174773 /nfs/dbraw/zinc/17/47/73/1274174773.db2.gz ZREDHSVMGKCDKB-NSHDSACASA-N 0 1 355.406 0.421 20 30 FCEDMN C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001577175212 1274224884 /nfs/dbraw/zinc/22/48/84/1274224884.db2.gz PWDOIWAXKKCJNM-CHWSQXEVSA-N 0 1 354.418 0.678 20 30 FCEDMN C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001577175212 1274224887 /nfs/dbraw/zinc/22/48/87/1274224887.db2.gz PWDOIWAXKKCJNM-CHWSQXEVSA-N 0 1 354.418 0.678 20 30 FCEDMN Cc1cc(C#N)nc(N[C@@H](CNC(=O)[C@H](C)OCc2c[nH]nn2)C2CC2)n1 ZINC001577256242 1274283208 /nfs/dbraw/zinc/28/32/08/1274283208.db2.gz KPBGTYUHPHUWQD-NHYWBVRUSA-N 0 1 370.417 0.687 20 30 FCEDMN Cc1cc(C#N)nc(NC[C@H]2CCCN2C(=O)[C@@H](C)OCc2c[nH]nn2)n1 ZINC001577256072 1274283604 /nfs/dbraw/zinc/28/36/04/1274283604.db2.gz FGWBIUUCDQHPCI-IUODEOHRSA-N 0 1 370.417 0.783 20 30 FCEDMN Cc1ccn(C[C@H](C)C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)n1 ZINC001577455668 1274415577 /nfs/dbraw/zinc/41/55/77/1274415577.db2.gz IADJDCJAWAOHIN-AWEZNQCLSA-N 0 1 370.461 0.963 20 30 FCEDMN N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCc2cn[nH]n2)CCO1 ZINC001577706394 1274768310 /nfs/dbraw/zinc/76/83/10/1274768310.db2.gz FTUVAHWOUHWMJS-LSDHHAIUSA-N 0 1 372.433 0.999 20 30 FCEDMN N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)C[C@H]21 ZINC001577710278 1274770990 /nfs/dbraw/zinc/77/09/90/1274770990.db2.gz VVEYOVZVAYIPHB-KBAYOESNSA-N 0 1 371.489 0.757 20 30 FCEDMN N#Cc1c[nH]c(C(=O)NC2(CNC(=O)CCCCc3cn[nH]n3)CC2)c1 ZINC001577712613 1274774894 /nfs/dbraw/zinc/77/48/94/1274774894.db2.gz SDABAIDAESBAGB-UHFFFAOYSA-N 0 1 355.402 0.796 20 30 FCEDMN N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)CCCc3c[nH]nn3)CC2)c1 ZINC001577712492 1274775495 /nfs/dbraw/zinc/77/54/95/1274775495.db2.gz OOBXCYXTGOTFBI-UHFFFAOYSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)CCCc3cnn[nH]3)CC2)c1 ZINC001577712492 1274775503 /nfs/dbraw/zinc/77/55/03/1274775503.db2.gz OOBXCYXTGOTFBI-UHFFFAOYSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NCc2cnn(Cc3cn[nH]n3)c2)c(F)c1 ZINC001577717678 1274777932 /nfs/dbraw/zinc/77/79/32/1274777932.db2.gz MUXOUROPXRFZNC-UHFFFAOYSA-N 0 1 361.362 0.539 20 30 FCEDMN N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCc1cn[nH]n1 ZINC001577718051 1274779251 /nfs/dbraw/zinc/77/92/51/1274779251.db2.gz WKDPALYIXDPALG-UHFFFAOYSA-N 0 1 350.360 0.886 20 30 FCEDMN N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577721639 1274786384 /nfs/dbraw/zinc/78/63/84/1274786384.db2.gz PMTNRXIFNITOFZ-TXEJJXNPSA-N 0 1 361.369 0.901 20 30 FCEDMN N#Cc1nccnc1NCC=CCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577721499 1274787158 /nfs/dbraw/zinc/78/71/58/1274787158.db2.gz LVCPWTUKGQNACK-OYADATRGSA-N 0 1 367.417 0.215 20 30 FCEDMN O=C(C#CC1CC1)N1CCC(N(Cc2c[nH]nn2)C(=O)c2cnon2)CC1 ZINC001577742381 1274819806 /nfs/dbraw/zinc/81/98/06/1274819806.db2.gz BYEDTBHSDYDOQU-UHFFFAOYSA-N 0 1 369.385 0.235 20 30 FCEDMN CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)c1cc(C#N)c[nH]1 ZINC001578109981 1275412376 /nfs/dbraw/zinc/41/23/76/1275412376.db2.gz PXQILDMTGNUHKM-UHFFFAOYSA-N 0 1 365.401 0.766 20 30 FCEDMN CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)c1ccc(C#N)[nH]1 ZINC001578110219 1275413338 /nfs/dbraw/zinc/41/33/38/1275413338.db2.gz ZZYVNFPFAGEFNA-UHFFFAOYSA-N 0 1 365.401 0.766 20 30 FCEDMN CCOC(=O)N(C)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001578246306 1275550258 /nfs/dbraw/zinc/55/02/58/1275550258.db2.gz LELZOLDOLOHBKN-UHFFFAOYSA-N 0 1 357.378 0.585 20 30 FCEDMN CCO[C@@H]1C[C@H](O)C12CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 ZINC001578335503 1275683976 /nfs/dbraw/zinc/68/39/76/1275683976.db2.gz RNPSEJQQDWXUPJ-NWDGAFQWSA-N 0 1 356.390 0.285 20 30 FCEDMN COC[C@@]1(C(=O)N2CCCN(c3ccccc3C#N)CC2)CNCCO1 ZINC001578971969 1276518093 /nfs/dbraw/zinc/51/80/93/1276518093.db2.gz FNGZQUSHJYIPCY-LJQANCHMSA-N 0 1 358.442 0.602 20 30 FCEDMN COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CNC[C@H]2C#N)c1 ZINC001579073678 1276686891 /nfs/dbraw/zinc/68/68/91/1276686891.db2.gz RITNLULSLDAUBV-NYWJGDLRSA-N 0 1 350.444 0.815 20 30 FCEDMN COC(=O)c1ccc2c(c1)CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 ZINC001579486063 1277397014 /nfs/dbraw/zinc/39/70/14/1277397014.db2.gz GVWPFESSLYUORT-UHFFFAOYSA-N 0 1 362.353 0.878 20 30 FCEDMN COCC#CCN1CCC(C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579618498 1277664607 /nfs/dbraw/zinc/66/46/07/1277664607.db2.gz LKXZLJXUXNHZKK-UHFFFAOYSA-N 0 1 357.418 0.429 20 30 FCEDMN Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CNC[C@H]3C#N)CC2)cc1 ZINC001579678760 1277760234 /nfs/dbraw/zinc/76/02/34/1277760234.db2.gz IUEKUYJIKVQYFK-IAGOWNOFSA-N 0 1 355.442 0.503 20 30 FCEDMN Cc1cccc([C@H](CNC(=O)N[C@@H]2CNC[C@@H]2C#N)N2CCOCC2)c1 ZINC001579751076 1277862073 /nfs/dbraw/zinc/86/20/73/1277862073.db2.gz DQWKKSRHMGOYIA-KSZLIROESA-N 0 1 357.458 0.779 20 30 FCEDMN COc1ccc(OC)c([C@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001580048123 1277998636 /nfs/dbraw/zinc/99/86/36/1277998636.db2.gz FHDAHGFDRDJRHR-GFCCVEGCSA-N 0 1 368.357 0.691 20 30 FCEDMN CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 ZINC001603200680 1287328051 /nfs/dbraw/zinc/32/80/51/1287328051.db2.gz ITHMFVWZGKKJPW-CQSZACIVSA-N 0 1 355.402 0.878 20 30 FCEDMN Cc1cc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580975342 1279176470 /nfs/dbraw/zinc/17/64/70/1279176470.db2.gz DOQUHFNSMZGBKI-DMDPSCGWSA-N 0 1 354.418 0.918 20 30 FCEDMN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001580978474 1279179669 /nfs/dbraw/zinc/17/96/69/1279179669.db2.gz YCLRQBJJPDHTCJ-HYKPAMGXSA-N 0 1 352.402 0.956 20 30 FCEDMN CC(C)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001603215345 1287334356 /nfs/dbraw/zinc/33/43/56/1287334356.db2.gz JUKXJRJNHNUEEV-OAHLLOKOSA-N 0 1 365.401 0.750 20 30 FCEDMN Cc1cc(NCC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025902 1279257903 /nfs/dbraw/zinc/25/79/03/1279257903.db2.gz IOSVLYVKNHCXFQ-SNVBAGLBSA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cccc(OC[C@@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001581247139 1279523316 /nfs/dbraw/zinc/52/33/16/1279523316.db2.gz YPOWMQUSJZWQFK-NSHDSACASA-N 0 1 352.358 0.689 20 30 FCEDMN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(C#N)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001603457621 1287377243 /nfs/dbraw/zinc/37/72/43/1287377243.db2.gz JBTRSURAECCNQU-MNOVXSKESA-N 0 1 365.401 0.892 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC1=NS(=O)(=O)c2ccccc21 ZINC001581410492 1279875834 /nfs/dbraw/zinc/87/58/34/1279875834.db2.gz LFIKUOVCDWDMRQ-UHFFFAOYSA-N 0 1 354.355 0.435 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)c[nH]1 ZINC001581865462 1280621035 /nfs/dbraw/zinc/62/10/35/1280621035.db2.gz KDPZDIWUJNBOSR-OAHLLOKOSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1cccc2c1CCN2S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001581875692 1280629884 /nfs/dbraw/zinc/62/98/84/1280629884.db2.gz LACJMBFGUPGQAZ-UHFFFAOYSA-N 0 1 353.367 0.885 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879647 1280637197 /nfs/dbraw/zinc/63/71/97/1280637197.db2.gz SEQQTEHDAJVSLA-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879647 1280637205 /nfs/dbraw/zinc/63/72/05/1280637205.db2.gz SEQQTEHDAJVSLA-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879647 1280637212 /nfs/dbraw/zinc/63/72/12/1280637212.db2.gz SEQQTEHDAJVSLA-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879647 1280637220 /nfs/dbraw/zinc/63/72/20/1280637220.db2.gz SEQQTEHDAJVSLA-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cnc1-c1nnn[n-]1 ZINC001581879779 1280637387 /nfs/dbraw/zinc/63/73/87/1280637387.db2.gz XFEPUGHVEPNMEN-GFCCVEGCSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001581879779 1280637411 /nfs/dbraw/zinc/63/74/11/1280637411.db2.gz XFEPUGHVEPNMEN-GFCCVEGCSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1nc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001581879779 1280637421 /nfs/dbraw/zinc/63/74/21/1280637421.db2.gz XFEPUGHVEPNMEN-GFCCVEGCSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCN(C(=O)C3CCCCC3)CC2)nc1-c1nn[nH]n1 ZINC001581881827 1280641293 /nfs/dbraw/zinc/64/12/93/1280641293.db2.gz BNQQZPIMIBOWEF-UHFFFAOYSA-N 0 1 367.417 0.757 20 30 FCEDMN N#Cc1nc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cnc1-c1nnn[n-]1 ZINC001581881242 1280641336 /nfs/dbraw/zinc/64/13/36/1280641336.db2.gz RHBGCALEDOQYHW-JSGCOSHPSA-N 0 1 369.433 0.831 20 30 FCEDMN N#Cc1ncc(NCC2([NH+]3CCCC3)CCOCC2)nc1-c1nn[n-]n1 ZINC001581882532 1280643166 /nfs/dbraw/zinc/64/31/66/1280643166.db2.gz BWSUDSZZXOSODJ-UHFFFAOYSA-N 0 1 355.406 0.585 20 30 FCEDMN N#Cc1ncc(N2CC[C@](C(N)=O)(c3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581882169 1280644468 /nfs/dbraw/zinc/64/44/68/1280644468.db2.gz NOMYYNPVUKTYIJ-QGZVFWFLSA-N 0 1 361.369 0.162 20 30 FCEDMN N#Cc1ncc(N2CCN(C(=O)c3ccco3)CC2)nc1-c1nn[nH]n1 ZINC001581882204 1280645667 /nfs/dbraw/zinc/64/56/67/1280645667.db2.gz PHWHKGUWVSPJCQ-UHFFFAOYSA-N 0 1 351.330 0.084 20 30 FCEDMN N#Cc1ncc(NC[C@@H](O)COc2ccc(F)cc2)nc1-c1nn[nH]n1 ZINC001581883034 1280648130 /nfs/dbraw/zinc/64/81/30/1280648130.db2.gz NIFROONLUIDSRM-SNVBAGLBSA-N 0 1 356.321 0.519 20 30 FCEDMN N#Cc1ncc(NCC[C@]2(O)C(=O)Nc3ccccc32)nc1-c1nn[nH]n1 ZINC001581884063 1280648996 /nfs/dbraw/zinc/64/89/96/1280648996.db2.gz ITGYKJRNVWAOBT-MRXNPFEDSA-N 0 1 363.341 0.170 20 30 FCEDMN N#Cc1ncc(NC[C@H]2CCC3(CCOCC3)CO2)nc1-c1nn[nH]n1 ZINC001581884098 1280649209 /nfs/dbraw/zinc/64/92/09/1280649209.db2.gz KQQPKNHCCYSCNG-LLVKDONJSA-N 0 1 356.390 0.916 20 30 FCEDMN N#Cc1ncc(NC[C@H]2CS(=O)(=O)c3ccccc32)nc1-c1nn[nH]n1 ZINC001581883923 1280649879 /nfs/dbraw/zinc/64/98/79/1280649879.db2.gz CCXCBCFTMMGYSI-VIFPVBQESA-N 0 1 368.382 0.511 20 30 FCEDMN C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC001585296195 1282221401 /nfs/dbraw/zinc/22/14/01/1282221401.db2.gz RAIRKUPFYFPCSJ-CYBMUJFWSA-N 0 1 367.409 0.384 20 30 FCEDMN C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[N@H+]1CCc2ccccc2C1 ZINC001585296195 1282221410 /nfs/dbraw/zinc/22/14/10/1282221410.db2.gz RAIRKUPFYFPCSJ-CYBMUJFWSA-N 0 1 367.409 0.384 20 30 FCEDMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC001633528694 1282252098 /nfs/dbraw/zinc/25/20/98/1282252098.db2.gz GPEUSMLDOKTWAZ-HNNXBMFYSA-N 0 1 355.373 0.926 20 30 FCEDMN C#CC1(O)CN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C1 ZINC001588333382 1282425012 /nfs/dbraw/zinc/42/50/12/1282425012.db2.gz OQUODPICBUGVCQ-UHFFFAOYSA-N 0 1 361.408 0.450 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588336106 1282428785 /nfs/dbraw/zinc/42/87/85/1282428785.db2.gz HWBBVBRJXMKCKK-LBPRGKRZSA-N 0 1 362.459 0.641 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588336106 1282428791 /nfs/dbraw/zinc/42/87/91/1282428791.db2.gz HWBBVBRJXMKCKK-LBPRGKRZSA-N 0 1 362.459 0.641 20 30 FCEDMN C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335966 1282428824 /nfs/dbraw/zinc/42/88/24/1282428824.db2.gz DNKFCVKDJXKCLU-QWHCGFSZSA-N 0 1 354.418 0.389 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](CC)C1 ZINC001588336582 1282428870 /nfs/dbraw/zinc/42/88/70/1282428870.db2.gz QNCMVIIIGQDQBF-KBPBESRZSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588336129 1282428893 /nfs/dbraw/zinc/42/88/93/1282428893.db2.gz IHIWBIIIQWBPFI-CYBMUJFWSA-N 0 1 354.418 0.745 20 30 FCEDMN C#CCCCCC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588342664 1282438963 /nfs/dbraw/zinc/43/89/63/1282438963.db2.gz PFQLQZPPCQQKBQ-ZDUSSCGKSA-N 0 1 357.418 0.075 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588343880 1282440064 /nfs/dbraw/zinc/44/00/64/1282440064.db2.gz VIUYFUBWUKBQBG-ZIAGYGMSSA-N 0 1 368.445 0.779 20 30 FCEDMN C#CCCCCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588345288 1282440750 /nfs/dbraw/zinc/44/07/50/1282440750.db2.gz XWHASFSRCQBLSY-UHFFFAOYSA-N 0 1 354.418 0.723 20 30 FCEDMN C#CCCCCCC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344692 1282440965 /nfs/dbraw/zinc/44/09/65/1282440965.db2.gz AKOIRYGYTJYOPJ-HDJSIYSDSA-N 0 1 368.445 0.969 20 30 FCEDMN C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001588350410 1282445313 /nfs/dbraw/zinc/44/53/13/1282445313.db2.gz UPYBRRBXSUISPI-UHFFFAOYSA-N 0 1 357.370 0.989 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356093 1282457702 /nfs/dbraw/zinc/45/77/02/1282457702.db2.gz SKRURKOVPWSJLH-RDBSUJKOSA-N 0 1 367.413 0.398 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588357612 1282467111 /nfs/dbraw/zinc/46/71/11/1282467111.db2.gz MBFVEKNWCKINCW-QMMMGPOBSA-N 0 1 369.838 0.885 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588357803 1282467234 /nfs/dbraw/zinc/46/72/34/1282467234.db2.gz NKPFGFLCQHITDW-CHWSQXEVSA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCOCCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588360986 1282481201 /nfs/dbraw/zinc/48/12/01/1282481201.db2.gz ABVVIFCYYQEMSO-UHFFFAOYSA-N 0 1 355.402 0.093 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588361319 1282482836 /nfs/dbraw/zinc/48/28/36/1282482836.db2.gz JVYTWACCEBGWEU-ZDUSSCGKSA-N 0 1 370.417 0.172 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001588361517 1282484715 /nfs/dbraw/zinc/48/47/15/1282484715.db2.gz OVHRZAZZFNPWPX-OLZOCXBDSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588362399 1282486597 /nfs/dbraw/zinc/48/65/97/1282486597.db2.gz DTFBLCJTEUPSHX-VIKVFOODSA-N 0 1 372.454 0.515 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588362399 1282486600 /nfs/dbraw/zinc/48/66/00/1282486600.db2.gz DTFBLCJTEUPSHX-VIKVFOODSA-N 0 1 372.454 0.515 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001588368540 1282494157 /nfs/dbraw/zinc/49/41/57/1282494157.db2.gz VHRWCDNLRNKJJY-NSHDSACASA-N 0 1 363.385 0.288 20 30 FCEDMN C#Cc1cncc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001588379411 1282495040 /nfs/dbraw/zinc/49/50/40/1282495040.db2.gz GAYUVMNJLQIKQF-NSHDSACASA-N 0 1 363.385 0.075 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588380447 1282495114 /nfs/dbraw/zinc/49/51/14/1282495114.db2.gz FNGPSYMDGJTXCU-AWEZNQCLSA-N 0 1 374.408 0.894 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588379493 1282495926 /nfs/dbraw/zinc/49/59/26/1282495926.db2.gz IJWTUUSSTOWFSX-CTYIDZIISA-N 0 1 374.408 0.680 20 30 FCEDMN C=C(C)[C@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402308 1282499386 /nfs/dbraw/zinc/49/93/86/1282499386.db2.gz FBRMCLPUJDMXHX-STQMWFEESA-N 0 1 374.449 0.969 20 30 FCEDMN C=C(C)[C@H](CC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402764 1282499762 /nfs/dbraw/zinc/49/97/62/1282499762.db2.gz MSAHBERAXPOWEG-OLZOCXBDSA-N 0 1 374.449 0.969 20 30 FCEDMN C=C(C)[C@H](CC(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1)OCC ZINC001588403186 1282500467 /nfs/dbraw/zinc/50/04/67/1282500467.db2.gz WGSXNLNOMAAKMT-WFASDCNBSA-N 0 1 359.434 0.972 20 30 FCEDMN C=C(C)[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001588402768 1282500902 /nfs/dbraw/zinc/50/09/02/1282500902.db2.gz MSJXEMFOYQWVBN-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001588419412 1282505370 /nfs/dbraw/zinc/50/53/70/1282505370.db2.gz IFDLQNNNHZORBD-CVEARBPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=C(CC[NH+](C)C)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001588444388 1282506841 /nfs/dbraw/zinc/50/68/41/1282506841.db2.gz ZRVYUENKSWKBML-UHFFFAOYSA-N 0 1 353.390 0.894 20 30 FCEDMN C=C1CCC(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001588462176 1282511164 /nfs/dbraw/zinc/51/11/64/1282511164.db2.gz GYWIRCJJQIJONX-BETUJISGSA-N 0 1 354.418 0.884 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588455146 1282512106 /nfs/dbraw/zinc/51/21/06/1282512106.db2.gz ODDUPYSDWYGOFQ-NSHDSACASA-N 0 1 362.459 0.851 20 30 FCEDMN C=C[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588468567 1282514477 /nfs/dbraw/zinc/51/44/77/1282514477.db2.gz UJSPWILWCWLBRC-TZMCWYRMSA-N 0 1 364.413 0.965 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588474806 1282515013 /nfs/dbraw/zinc/51/50/13/1282515013.db2.gz JNJPOPCQBRUFNG-CQSZACIVSA-N 0 1 374.445 0.654 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588484522 1282518805 /nfs/dbraw/zinc/51/88/05/1282518805.db2.gz GNMCKZNLYMPZDB-LBPRGKRZSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588493667 1282521934 /nfs/dbraw/zinc/52/19/34/1282521934.db2.gz JVPOTZAEKHCZPR-SJKOYZFVSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588496948 1282526176 /nfs/dbraw/zinc/52/61/76/1282526176.db2.gz VFQJMNOHVGMYNS-QGZVFWFLSA-N 0 1 359.434 0.749 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501149 1282533962 /nfs/dbraw/zinc/53/39/62/1282533962.db2.gz KHVMQXADKRYBEY-BZNIZROVSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588501090 1282535502 /nfs/dbraw/zinc/53/55/02/1282535502.db2.gz JJEXVOYUKNIKAN-PXAZEXFGSA-N 0 1 374.449 0.349 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588502515 1282538488 /nfs/dbraw/zinc/53/84/88/1282538488.db2.gz SPIQOWVHFMWOEV-APPDUMDISA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588501679 1282538598 /nfs/dbraw/zinc/53/85/98/1282538598.db2.gz NYEUEADGZUUBRV-XWCIJXRUSA-N 0 1 370.417 0.021 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588503611 1282542062 /nfs/dbraw/zinc/54/20/62/1282542062.db2.gz AULOCYVVVXWRRI-MRXNPFEDSA-N 0 1 360.422 0.316 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588505221 1282545768 /nfs/dbraw/zinc/54/57/68/1282545768.db2.gz NPKPJYCIUMNPMX-MFGLSYLJSA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588505739 1282548319 /nfs/dbraw/zinc/54/83/19/1282548319.db2.gz WKTVVRGLQDSVHY-SCLBCKFNSA-N 0 1 371.445 0.982 20 30 FCEDMN C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588532367 1282561862 /nfs/dbraw/zinc/56/18/62/1282561862.db2.gz TYLNPMNPTVMBET-CYBMUJFWSA-N 0 1 373.461 0.826 20 30 FCEDMN C=CC[C@H](CO)NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588546075 1282563248 /nfs/dbraw/zinc/56/32/48/1282563248.db2.gz WOHWHSLQTJHXIH-GFCCVEGCSA-N 0 1 361.406 0.433 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001588552483 1282566251 /nfs/dbraw/zinc/56/62/51/1282566251.db2.gz XYVXDCQMPCIBLJ-GFCCVEGCSA-N 0 1 356.434 0.989 20 30 FCEDMN C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001588557166 1282566771 /nfs/dbraw/zinc/56/67/71/1282566771.db2.gz ZVFRROLHFYLSSQ-TXEJJXNPSA-N 0 1 354.418 0.884 20 30 FCEDMN C=CCC[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588579325 1282573907 /nfs/dbraw/zinc/57/39/07/1282573907.db2.gz LWEYYQGDKKGKMS-SECBINFHSA-N 0 1 368.375 0.380 20 30 FCEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588600432 1282580242 /nfs/dbraw/zinc/58/02/42/1282580242.db2.gz BCGLGAZBEUPMJK-KRWDZBQOSA-N 0 1 359.434 0.982 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588609053 1282583134 /nfs/dbraw/zinc/58/31/34/1282583134.db2.gz TYJAWMRGYYPSLQ-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588608900 1282583431 /nfs/dbraw/zinc/58/34/31/1282583431.db2.gz RWULIRQEBFYFIX-RYUDHWBXSA-N 0 1 360.422 0.319 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588611396 1282589497 /nfs/dbraw/zinc/58/94/97/1282589497.db2.gz SSGKUQDWOOUDAY-QGZVFWFLSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001588657660 1282607368 /nfs/dbraw/zinc/60/73/68/1282607368.db2.gz SFGILUJXCFBOOT-NSHDSACASA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001588657659 1282607598 /nfs/dbraw/zinc/60/75/98/1282607598.db2.gz SFGILUJXCFBOOT-LLVKDONJSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588667297 1282624344 /nfs/dbraw/zinc/62/43/44/1282624344.db2.gz UMDBUOHUNOWQBP-UHFFFAOYSA-N 0 1 372.433 0.534 20 30 FCEDMN C=CCOCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588671757 1282625878 /nfs/dbraw/zinc/62/58/78/1282625878.db2.gz MRRSDFXFSWGOKE-KRWDZBQOSA-N 0 1 357.418 0.858 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588674599 1282631753 /nfs/dbraw/zinc/63/17/53/1282631753.db2.gz QDQSTJSZBDATIC-QWHCGFSZSA-N 0 1 357.418 0.583 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@H](CC)C1 ZINC001588709854 1282656952 /nfs/dbraw/zinc/65/69/52/1282656952.db2.gz WYFNCFHTWFUTSS-NSHDSACASA-N 0 1 355.410 0.520 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588719048 1282663956 /nfs/dbraw/zinc/66/39/56/1282663956.db2.gz WKKOOGTWDQJLAD-XQQFMLRXSA-N 0 1 370.417 0.285 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588718705 1282664909 /nfs/dbraw/zinc/66/49/09/1282664909.db2.gz QWBBHAHJDDCYFV-NEPJUHHUSA-N 0 1 358.406 0.142 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588722913 1282671746 /nfs/dbraw/zinc/67/17/46/1282671746.db2.gz DSIVFOBKJVXVQL-UPJWGTAASA-N 0 1 372.433 0.222 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588740099 1282683202 /nfs/dbraw/zinc/68/32/02/1282683202.db2.gz GJLZKQFVNPRPCQ-ZDUSSCGKSA-N 0 1 357.418 0.075 20 30 FCEDMN CC#CCCCC(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588740121 1282683584 /nfs/dbraw/zinc/68/35/84/1282683584.db2.gz GUTPLUIOTMUUNT-GOSISDBHSA-N 0 1 368.445 0.969 20 30 FCEDMN C[C@@H](C#N)C(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001588929066 1282731067 /nfs/dbraw/zinc/73/10/67/1282731067.db2.gz HSMLIDYYKWENQH-ZDUSSCGKSA-N 0 1 369.433 0.050 20 30 FCEDMN C[C@H](C#N)OCCN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588933855 1282731937 /nfs/dbraw/zinc/73/19/37/1282731937.db2.gz AQKKKVWKNVHKNB-LLVKDONJSA-N 0 1 358.406 0.783 20 30 FCEDMN C[C@H](C(=O)OCCOc1ccccc1C#N)n1cnc(-c2nn[nH]n2)n1 ZINC001589029759 1282776372 /nfs/dbraw/zinc/77/63/72/1282776372.db2.gz GOVNEFGXGVTSEB-SNVBAGLBSA-N 0 1 354.330 0.513 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001589379895 1282854315 /nfs/dbraw/zinc/85/43/15/1282854315.db2.gz FJWMDOXMQABUCS-BETUJISGSA-N 0 1 352.402 0.496 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589379870 1282855651 /nfs/dbraw/zinc/85/56/51/1282855651.db2.gz DJUHPSIOMAPCNM-ZDUSSCGKSA-N 0 1 354.418 0.389 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001589380064 1282856571 /nfs/dbraw/zinc/85/65/71/1282856571.db2.gz KZALZYLTSLLGGL-KGLIPLIRSA-N 0 1 353.430 0.849 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001589386923 1282863619 /nfs/dbraw/zinc/86/36/19/1282863619.db2.gz FPFYCMMNPWQXCN-IRXDYDNUSA-N 0 1 368.441 0.578 20 30 FCEDMN CC(C)C#CC(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589387462 1282865052 /nfs/dbraw/zinc/86/50/52/1282865052.db2.gz LQULFOHUNSLZJY-UHFFFAOYSA-N 0 1 354.418 0.577 20 30 FCEDMN C[C@H](C[C@@H](C)Nc1ccncc1-c1nn[nH]n1)NC(=O)CSCC#N ZINC001589800239 1283014072 /nfs/dbraw/zinc/01/40/72/1283014072.db2.gz WHWOMFMMNRYBBR-GHMZBOCLSA-N 0 1 360.447 0.636 20 30 FCEDMN C[C@@H](CNC(=O)CSCC#N)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001589856343 1283093483 /nfs/dbraw/zinc/09/34/83/1283093483.db2.gz DKQZDQOXDDBJKY-JTQLQIEISA-N 0 1 363.422 0.857 20 30 FCEDMN CCOC(=O)[C@]1(CCn2c(C)nc(-c3nn[nH]n3)c2C#N)CCCC1=O ZINC001604367819 1287618042 /nfs/dbraw/zinc/61/80/42/1287618042.db2.gz UTDDNECQQHRADI-INIZCTEOSA-N 0 1 357.374 0.936 20 30 FCEDMN C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589911756 1283118314 /nfs/dbraw/zinc/11/83/14/1283118314.db2.gz DSRISZXWQKQCOL-JSGCOSHPSA-N 0 1 366.429 0.791 20 30 FCEDMN C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590144797 1283242419 /nfs/dbraw/zinc/24/24/19/1283242419.db2.gz XRSZERNTJPZHDW-INIZCTEOSA-N 0 1 364.373 0.255 20 30 FCEDMN C[C@@H]1CN(C[C@H](O)COc2ccccc2-c2nn[nH]n2)C[C@H](C)N1CC#N ZINC001590305955 1283448440 /nfs/dbraw/zinc/44/84/40/1283448440.db2.gz UUYVXIYJCJVURI-ZNMIVQPWSA-N 0 1 371.445 0.525 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)[C@@H](C#N)C1 ZINC001681433067 1283495546 /nfs/dbraw/zinc/49/55/46/1283495546.db2.gz BVFUULAUDKHTHP-IHRRRGAJSA-N 0 1 367.450 0.111 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC001681433066 1283495845 /nfs/dbraw/zinc/49/58/45/1283495845.db2.gz BVFUULAUDKHTHP-HZSPNIEDSA-N 0 1 367.450 0.111 20 30 FCEDMN CC[C@H](CNC(=O)CSCC#N)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001590441222 1283539844 /nfs/dbraw/zinc/53/98/44/1283539844.db2.gz HNDPPPFLTVAEMR-LLVKDONJSA-N 0 1 360.447 0.556 20 30 FCEDMN CCc1ccc(CN(C)C(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1 ZINC001604523219 1287650583 /nfs/dbraw/zinc/65/05/83/1287650583.db2.gz JAPWNDFKSUVTSW-UHFFFAOYSA-N 0 1 365.401 0.738 20 30 FCEDMN CN(C(=O)CSCC#N)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001590984233 1284039560 /nfs/dbraw/zinc/03/95/60/1284039560.db2.gz HRYDLVSHAMEWKD-UHFFFAOYSA-N 0 1 372.458 0.946 20 30 FCEDMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)c1cc(C#N)c[nH]1 ZINC001591083090 1284150746 /nfs/dbraw/zinc/15/07/46/1284150746.db2.gz DGPKWLGEABPBMJ-UHFFFAOYSA-N 0 1 351.374 0.458 20 30 FCEDMN CN(CCNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)CSCC#N ZINC001591103414 1284175825 /nfs/dbraw/zinc/17/58/25/1284175825.db2.gz PNGDJQXTGGDWLK-UHFFFAOYSA-N 0 1 363.422 0.811 20 30 FCEDMN CN(Cc1ccc(F)cc1)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001591139876 1284209676 /nfs/dbraw/zinc/20/96/76/1284209676.db2.gz GNCIPELJRGRBPR-UHFFFAOYSA-N 0 1 355.337 0.315 20 30 FCEDMN COCCN(C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)c1ccc(C#N)cc1 ZINC001591418847 1284568048 /nfs/dbraw/zinc/56/80/48/1284568048.db2.gz IXLXZNQMQAURMN-LLVKDONJSA-N 0 1 367.373 0.570 20 30 FCEDMN COc1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)C2)cc1-c1nn[nH]n1 ZINC001591588775 1284756307 /nfs/dbraw/zinc/75/63/07/1284756307.db2.gz BPBKMZKDGKUFRT-HNNXBMFYSA-N 0 1 366.425 0.979 20 30 FCEDMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001604754078 1287763037 /nfs/dbraw/zinc/76/30/37/1287763037.db2.gz GEJURLANQYKMEA-UHFFFAOYSA-N 0 1 351.374 0.458 20 30 FCEDMN N#CC1(C[C@H](O)CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)CCC1 ZINC001592668486 1285566051 /nfs/dbraw/zinc/56/60/51/1285566051.db2.gz LNXBIHSVIGJRGS-AWEZNQCLSA-N 0 1 368.445 0.829 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1cc(Cl)ccc1F ZINC001592682317 1285580886 /nfs/dbraw/zinc/58/08/86/1285580886.db2.gz WJJIRAWIZAXGJM-UHFFFAOYSA-N 0 1 361.728 0.948 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CCS(=O)(=O)c1ccc(F)cc1 ZINC001592683907 1285581158 /nfs/dbraw/zinc/58/11/58/1285581158.db2.gz GDJKCSOWNSOWJY-UHFFFAOYSA-N 0 1 362.350 0.130 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N[C@H]1CCOc2ccccc21 ZINC001592682124 1285581761 /nfs/dbraw/zinc/58/17/61/1285581761.db2.gz QCHGODZLZKHFMD-JTQLQIEISA-N 0 1 365.357 0.157 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CCOCC(F)(F)C(F)(F)F ZINC001592684109 1285584310 /nfs/dbraw/zinc/58/43/10/1285584310.db2.gz NWCSJBKQRXAADW-UHFFFAOYSA-N 0 1 352.227 0.731 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001592684119 1285584510 /nfs/dbraw/zinc/58/45/10/1285584510.db2.gz OHFQDRJGKTVCHA-UHFFFAOYSA-N 0 1 368.748 0.868 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(c3ccccc3F)C2=O)nc1-c1nn[nH]n1 ZINC001592710141 1285595472 /nfs/dbraw/zinc/59/54/72/1285595472.db2.gz HGHQEBKABFKMCO-SNVBAGLBSA-N 0 1 365.332 0.885 20 30 FCEDMN N#Cc1ncc(NC[C@H](O)C(F)(F)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001592710432 1285595489 /nfs/dbraw/zinc/59/54/89/1285595489.db2.gz OFONRTWQQOFYMM-YFKPBYRVSA-N 0 1 350.211 0.499 20 30 FCEDMN O=C(C#CC1CC1)NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592768298 1285693489 /nfs/dbraw/zinc/69/34/89/1285693489.db2.gz HDYXKHGNQWSJRC-UHFFFAOYSA-N 0 1 364.413 0.713 20 30 FCEDMN C#CCCCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602709379 1287067993 /nfs/dbraw/zinc/06/79/93/1287067993.db2.gz CRKAQHWQUHLUEF-CYBMUJFWSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001602713790 1287072379 /nfs/dbraw/zinc/07/23/79/1287072379.db2.gz UBVRIFOIESAYDG-UHFFFAOYSA-N 0 1 361.354 0.123 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C(F)(F)F ZINC001602722590 1287078407 /nfs/dbraw/zinc/07/84/07/1287078407.db2.gz ZWHPCGGFORWUCG-CMPLNLGQSA-N 0 1 367.335 0.811 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001602727577 1287095098 /nfs/dbraw/zinc/09/50/98/1287095098.db2.gz PWLGSVVJQUAKJP-OAHLLOKOSA-N 0 1 369.429 0.372 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602770061 1287108908 /nfs/dbraw/zinc/10/89/08/1287108908.db2.gz SSQPODYMPKHCDJ-QCQGSNGOSA-N 0 1 369.429 0.724 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602769828 1287109159 /nfs/dbraw/zinc/10/91/59/1287109159.db2.gz NIQAVXWNBNXDRL-AAEUAGOBSA-N 0 1 370.417 0.121 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602790957 1287116318 /nfs/dbraw/zinc/11/63/18/1287116318.db2.gz WKWXFBBKSKTOKX-PXAZEXFGSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001602792005 1287117115 /nfs/dbraw/zinc/11/71/15/1287117115.db2.gz CWSJBAZCXFAYCB-MRXNPFEDSA-N 0 1 357.418 0.380 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602790975 1287117375 /nfs/dbraw/zinc/11/73/75/1287117375.db2.gz WWHJYCYHSZFRBV-SJKOYZFVSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602825257 1287127336 /nfs/dbraw/zinc/12/73/36/1287127336.db2.gz VWRZUXBAZVAREG-CHWSQXEVSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CCN(CCOC)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC001602852528 1287136182 /nfs/dbraw/zinc/13/61/82/1287136182.db2.gz VHOPVCPEYFQBRZ-UHFFFAOYSA-N 0 1 350.404 0.964 20 30 FCEDMN C=CCN(CC(=O)OCC)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001602850819 1287136456 /nfs/dbraw/zinc/13/64/56/1287136456.db2.gz VCRJUUIMPWLJLF-UHFFFAOYSA-N 0 1 357.417 0.668 20 30 FCEDMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)n1 ZINC001707765693 1287139419 /nfs/dbraw/zinc/13/94/19/1287139419.db2.gz RLYAZDWEBMPNES-LLVKDONJSA-N 0 1 359.438 0.681 20 30 FCEDMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)[nH]1 ZINC001707765693 1287139421 /nfs/dbraw/zinc/13/94/21/1287139421.db2.gz RLYAZDWEBMPNES-LLVKDONJSA-N 0 1 359.438 0.681 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602867220 1287142833 /nfs/dbraw/zinc/14/28/33/1287142833.db2.gz ZNTMTXYSNLPHDE-ZIAGYGMSSA-N 0 1 371.445 0.783 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001602893952 1287151449 /nfs/dbraw/zinc/15/14/49/1287151449.db2.gz LYMUXLZZWORVRL-IAGOWNOFSA-N 0 1 368.441 0.722 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602982468 1287172499 /nfs/dbraw/zinc/17/24/99/1287172499.db2.gz WCEDVBIBZHSRCU-NSHDSACASA-N 0 1 355.406 0.491 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001602983679 1287173945 /nfs/dbraw/zinc/17/39/45/1287173945.db2.gz LXBGRFMCWRDGFG-ABAIWWIYSA-N 0 1 354.418 0.930 20 30 FCEDMN C[C@@H](C(=O)OC[C@H](C#N)Cc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001603032323 1287193090 /nfs/dbraw/zinc/19/30/90/1287193090.db2.gz PUWRQIOXKKOTOX-AAEUAGOBSA-N 0 1 352.358 0.945 20 30 FCEDMN COc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c(F)cc1C#N ZINC001605226218 1287913602 /nfs/dbraw/zinc/91/36/02/1287913602.db2.gz HUBGGVMTNWZIRP-ZETCQYMHSA-N 0 1 357.309 0.677 20 30 FCEDMN Cc1cc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605725549 1288062745 /nfs/dbraw/zinc/06/27/45/1288062745.db2.gz ZVOKEGDWAGSIIJ-CQSZACIVSA-N 0 1 351.414 0.808 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)NCc1ccccc1 ZINC001609445694 1289154951 /nfs/dbraw/zinc/15/49/51/1289154951.db2.gz QFLTXXDJDOQWGK-UHFFFAOYSA-N 0 1 365.357 0.269 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CCOc1cccc(S(C)(=O)=O)c1 ZINC001609445619 1289155628 /nfs/dbraw/zinc/15/56/28/1289155628.db2.gz NKCDCUMFMPGMSW-UHFFFAOYSA-N 0 1 373.398 0.726 20 30 FCEDMN C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@H](C(=O)[O-])C1 ZINC001606245072 1288230993 /nfs/dbraw/zinc/23/09/93/1288230993.db2.gz RWOODMFSBKHFSK-LLVKDONJSA-N 0 1 357.819 0.849 20 30 FCEDMN C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2Cl)C[C@H](C(=O)[O-])C1 ZINC001606245072 1288230999 /nfs/dbraw/zinc/23/09/99/1288230999.db2.gz RWOODMFSBKHFSK-LLVKDONJSA-N 0 1 357.819 0.849 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC001606356486 1288271839 /nfs/dbraw/zinc/27/18/39/1288271839.db2.gz UUDKUCAVYPKBCC-SSDOTTSWSA-N 0 1 368.279 0.057 20 30 FCEDMN O=C(C#CC1CC1)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606456904 1288327486 /nfs/dbraw/zinc/32/74/86/1288327486.db2.gz ALEKQMRURWSTLE-UHFFFAOYSA-N 0 1 352.402 0.190 20 30 FCEDMN N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1Cl ZINC001608208163 1288789832 /nfs/dbraw/zinc/78/98/32/1288789832.db2.gz HGBGSAWDNZYWDT-ZDUSSCGKSA-N 0 1 364.789 0.815 20 30 FCEDMN N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1Cl ZINC001608208163 1288789835 /nfs/dbraw/zinc/78/98/35/1288789835.db2.gz HGBGSAWDNZYWDT-ZDUSSCGKSA-N 0 1 364.789 0.815 20 30 FCEDMN C=C[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001609052621 1288888608 /nfs/dbraw/zinc/88/86/08/1288888608.db2.gz KHMOJQMDZCSFGH-SECBINFHSA-N 0 1 353.346 0.077 20 30 FCEDMN C=C[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001609052622 1288889477 /nfs/dbraw/zinc/88/94/77/1288889477.db2.gz KHMOJQMDZCSFGH-VIFPVBQESA-N 0 1 353.346 0.077 20 30 FCEDMN C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC001609175043 1288968821 /nfs/dbraw/zinc/96/88/21/1288968821.db2.gz YCEJWLNJNQSTDG-AWEZNQCLSA-N 0 1 373.409 0.645 20 30 FCEDMN N#CCCCOc1cccnc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001609495540 1289179763 /nfs/dbraw/zinc/17/97/63/1289179763.db2.gz VYETXPXDYVEESZ-UHFFFAOYSA-N 0 1 354.334 0.174 20 30 FCEDMN N#Cc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)c(F)c1 ZINC001609498702 1289180015 /nfs/dbraw/zinc/18/00/15/1289180015.db2.gz WYXVYMHXZCYNRY-UHFFFAOYSA-N 0 1 359.346 0.751 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC001609868543 1289320139 /nfs/dbraw/zinc/32/01/39/1289320139.db2.gz RCFRDSLTXLQLRD-NSHDSACASA-N 0 1 362.361 0.643 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC001609868543 1289320147 /nfs/dbraw/zinc/32/01/47/1289320147.db2.gz RCFRDSLTXLQLRD-NSHDSACASA-N 0 1 362.361 0.643 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1cnn(C)c1 ZINC001691963707 1289350866 /nfs/dbraw/zinc/35/08/66/1289350866.db2.gz GEHMMWVHLDBXLA-JKSUJKDBSA-N 0 1 357.414 0.513 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1C[C@@H](CNCc2nncs2)[C@H](OCC)C1 ZINC001692024312 1289368273 /nfs/dbraw/zinc/36/82/73/1289368273.db2.gz STVCKUPFVSFOQI-IOASZLSFSA-N 0 1 354.476 0.818 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2C1 ZINC001692056486 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/nfs/dbraw/zinc/61/23/88/1224612388.db2.gz ZDCLPELSYJZXGL-KGLIPLIRSA-N 0 1 359.474 0.957 20 30 FCEDMN CCOC(=O)CON=C(C(=O)Nc1ccc(C(N)=O)cc1C)c1ccn[nH]1 ZINC000770829724 1200502152 /nfs/dbraw/zinc/50/21/52/1200502152.db2.gz BOAOVYNIAXTJKG-UHFFFAOYSA-N 0 1 373.369 0.740 20 30 FCEDMN C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCCOC)nn1 ZINC001109820770 1200541124 /nfs/dbraw/zinc/54/11/24/1200541124.db2.gz UXWHWIAXRRRECB-VYDXJSESSA-N 0 1 363.462 0.852 20 30 FCEDMN C=CCOCCN1C[C@@H](NC(=O)COc2ccc(OC)c(C)c2)[C@@H](O)C1 ZINC001219800139 1224619967 /nfs/dbraw/zinc/61/99/67/1224619967.db2.gz HZEOXSDFFRSROQ-SJORKVTESA-N 0 1 364.442 0.746 20 30 FCEDMN C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001109971658 1200650560 /nfs/dbraw/zinc/65/05/60/1200650560.db2.gz CXKWIVBYCPPUBY-WOPDTQHZSA-N 0 1 364.402 0.434 20 30 FCEDMN C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001109971658 1200650565 /nfs/dbraw/zinc/65/05/65/1200650565.db2.gz CXKWIVBYCPPUBY-WOPDTQHZSA-N 0 1 364.402 0.434 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)nc1 ZINC001109997562 1200684981 /nfs/dbraw/zinc/68/49/81/1200684981.db2.gz BGXZCCCVKOUVOB-NEPXVJNWSA-N 0 1 373.453 0.422 20 30 FCEDMN C#CCN1CCC(C(=O)OCC(=O)Nc2nnc([C@@H]3CCCO3)o2)CC1 ZINC000772110094 1200701212 /nfs/dbraw/zinc/70/12/12/1200701212.db2.gz OFHIFBAEFQYSOK-ZDUSSCGKSA-N 0 1 362.386 0.748 20 30 FCEDMN CCOC(=O)CON=C(C(=O)N1CCC[C@@](CC)(CO)C1)c1cc[nH]n1 ZINC000772614266 1200755981 /nfs/dbraw/zinc/75/59/81/1200755981.db2.gz GBEFTQAQWDXAFJ-QGZVFWFLSA-N 0 1 366.418 0.705 20 30 FCEDMN CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001112546666 1200768103 /nfs/dbraw/zinc/76/81/03/1200768103.db2.gz XYCQIWPZMJCJQT-KXBFYZLASA-N 0 1 358.442 0.168 20 30 FCEDMN CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001112982630 1200983181 /nfs/dbraw/zinc/98/31/81/1200983181.db2.gz YWPJENQOLLUAQP-HUUCEWRRSA-N 0 1 358.446 0.420 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCOCC)C[C@@H]2n2ccnn2)nc1 ZINC001129393583 1201028042 /nfs/dbraw/zinc/02/80/42/1201028042.db2.gz OMMGEXBWXFWJRC-MSOLQXFVSA-N 0 1 368.441 0.736 20 30 FCEDMN CCOC(=O)CON=C(C(=O)N(C)Cc1c(C)noc1C)c1cc[nH]n1 ZINC000789953805 1201045051 /nfs/dbraw/zinc/04/50/51/1201045051.db2.gz WCWKFJXZGZNDLC-UHFFFAOYSA-N 0 1 363.374 0.957 20 30 FCEDMN CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001086621462 1201288005 /nfs/dbraw/zinc/28/80/05/1201288005.db2.gz WEOQGFRSFLNULA-LSDHHAIUSA-N 0 1 355.398 0.297 20 30 FCEDMN C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001086621046 1201288164 /nfs/dbraw/zinc/28/81/64/1201288164.db2.gz ACHJGVTZPUJNAE-LSDHHAIUSA-N 0 1 355.398 0.297 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)COc2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001129438665 1201317721 /nfs/dbraw/zinc/31/77/21/1201317721.db2.gz YSIKXRWCUYBQBU-CVEARBPZSA-N 0 1 369.425 0.731 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@@H]1n1ccnn1 ZINC001129558890 1201351096 /nfs/dbraw/zinc/35/10/96/1201351096.db2.gz BIIQDLFXICFEQD-KGLIPLIRSA-N 0 1 358.402 0.137 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](NCC(=O)NCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129666914 1201364644 /nfs/dbraw/zinc/36/46/44/1201364644.db2.gz MCWJDCAKVNPMMY-CVEARBPZSA-N 0 1 360.462 0.502 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](NCC(=O)NCC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129671364 1201365714 /nfs/dbraw/zinc/36/57/14/1201365714.db2.gz OVCPJYBDXGAYOL-CABCVRRESA-N 0 1 362.478 0.748 20 30 FCEDMN COC[C@H](C)C(=O)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129681256 1201369142 /nfs/dbraw/zinc/36/91/42/1201369142.db2.gz MECFDCFSGNHDSC-UHOSZYNNSA-N 0 1 367.453 0.954 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001129681434 1201369159 /nfs/dbraw/zinc/36/91/59/1201369159.db2.gz RFMBMHAGSKSOPD-BNOWGMLFSA-N 0 1 360.422 0.010 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129675771 1201374575 /nfs/dbraw/zinc/37/45/75/1201374575.db2.gz XQSNSGCHMDREGH-ZACQAIPSSA-N 0 1 361.446 0.251 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@@H](NCC#Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129677633 1201375457 /nfs/dbraw/zinc/37/54/57/1201375457.db2.gz JSWPULDJTHYUKW-OLMNPRSZSA-N 0 1 366.400 0.970 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2c(C)coc2C)C[C@@H]1n1ccnn1 ZINC001129803309 1201398092 /nfs/dbraw/zinc/39/80/92/1201398092.db2.gz FPIQFCVFDGENRO-CVEARBPZSA-N 0 1 357.414 0.793 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001129830174 1201403700 /nfs/dbraw/zinc/40/37/00/1201403700.db2.gz WVGUNDHILSJCDK-OLMNPRSZSA-N 0 1 371.416 0.997 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](NCc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129845648 1201404441 /nfs/dbraw/zinc/40/44/41/1201404441.db2.gz RDQXEXIPMQANJS-SJORKVTESA-N 0 1 354.414 0.255 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@@H]1n1ccnn1 ZINC001129854925 1201405684 /nfs/dbraw/zinc/40/56/84/1201405684.db2.gz CUHMMKMRJOUFPM-SJORKVTESA-N 0 1 363.425 0.913 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129833777 1201408889 /nfs/dbraw/zinc/40/88/89/1201408889.db2.gz DXEKXUXQZRQMLT-IMJJTQAJSA-N 0 1 358.446 0.090 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@@H]1n1ccnn1 ZINC001129892038 1201415030 /nfs/dbraw/zinc/41/50/30/1201415030.db2.gz DRJNYVJFMSUFGL-MSOLQXFVSA-N 0 1 361.409 0.900 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001129876135 1201419286 /nfs/dbraw/zinc/41/92/86/1201419286.db2.gz CERXRUZIGOTGTM-KGLIPLIRSA-N 0 1 358.450 0.849 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001129914947 1201426281 /nfs/dbraw/zinc/42/62/81/1201426281.db2.gz OPYVZYPTDKSCRW-BBWFWOEESA-N 0 1 367.457 0.410 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@@H]1n1ccnn1 ZINC001129917419 1201427944 /nfs/dbraw/zinc/42/79/44/1201427944.db2.gz RZYGLPFIKIEPQU-SJORKVTESA-N 0 1 353.430 0.417 20 30 FCEDMN C#CCC1(C(=O)N2C[C@@H](NCc3ccnn3C)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894678 1201428346 /nfs/dbraw/zinc/42/83/46/1201428346.db2.gz PBIQRJWSTNFILP-SJORKVTESA-N 0 1 367.457 0.747 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@@H]1n1ccnn1 ZINC001129931891 1201434300 /nfs/dbraw/zinc/43/43/00/1201434300.db2.gz FITDITBKNGKICC-KGLIPLIRSA-N 0 1 366.381 0.804 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@@H]1n1ccnn1 ZINC001129943044 1201436997 /nfs/dbraw/zinc/43/69/97/1201436997.db2.gz LEXVIIQEUTUBRL-SJORKVTESA-N 0 1 355.446 0.663 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@@H]1n1ccnn1 ZINC001129918788 1201440913 /nfs/dbraw/zinc/44/09/13/1201440913.db2.gz IXECANRXKQARRM-CVEARBPZSA-N 0 1 364.413 0.308 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@@H]1n1ccnn1 ZINC001129919373 1201441567 /nfs/dbraw/zinc/44/15/67/1201441567.db2.gz VQODHPQBVJYPLE-OAGGEKHMSA-N 0 1 353.430 0.102 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COCc2ccc(OC)cc2)C[C@@H]1n1ccnn1 ZINC001129923451 1201442894 /nfs/dbraw/zinc/44/28/94/1201442894.db2.gz CTCDTDMGBAHHCW-MSOLQXFVSA-N 0 1 369.425 0.478 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](NCC(=O)N(C)C)[C@@H](n3ccnn3)C2)cc1 ZINC001129951915 1201447378 /nfs/dbraw/zinc/44/73/78/1201447378.db2.gz AUMZPEVVZWYRNF-SJORKVTESA-N 0 1 366.425 0.003 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129956804 1201450480 /nfs/dbraw/zinc/45/04/80/1201450480.db2.gz OEKBGLNBAOJRDF-ZNMIVQPWSA-N 0 1 362.478 0.699 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129943303 1201453193 /nfs/dbraw/zinc/45/31/93/1201453193.db2.gz WFGHEGRCEMZRAT-BDXSIMOUSA-N 0 1 373.457 0.085 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129972766 1201459444 /nfs/dbraw/zinc/45/94/44/1201459444.db2.gz LVJJFJMABZXJIT-CVEARBPZSA-N 0 1 360.462 0.292 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129999336 1201466479 /nfs/dbraw/zinc/46/64/79/1201466479.db2.gz XLAXAOGNGYPJSO-VKJFTORMSA-N 0 1 362.478 0.700 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129986787 1201469009 /nfs/dbraw/zinc/46/90/09/1201469009.db2.gz MFPDLBVLILSJRL-CVEARBPZSA-N 0 1 360.462 0.598 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)CCC)C[C@@H]1n1ccnn1 ZINC001129989938 1201469455 /nfs/dbraw/zinc/46/94/55/1201469455.db2.gz DAUKORSPYRNRKL-CABCVRRESA-N 0 1 362.478 0.748 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](NCC(=O)NC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129990346 1201469910 /nfs/dbraw/zinc/46/99/10/1201469910.db2.gz ZSDJXQRUOZZGLQ-CABCVRRESA-N 0 1 362.478 0.891 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001130022519 1201475215 /nfs/dbraw/zinc/47/52/15/1201475215.db2.gz CORWETKJVGPZRN-CABCVRRESA-N 0 1 360.462 0.501 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@@H]1n1ccnn1 ZINC001130032844 1201481326 /nfs/dbraw/zinc/48/13/26/1201481326.db2.gz OKBUZPYZWCUDEK-CVEARBPZSA-N 0 1 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N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)[C@@H]2C1 ZINC001040711385 1214570548 /nfs/dbraw/zinc/57/05/48/1214570548.db2.gz LVRSJASOCREDGO-IIYDPXPESA-N 0 1 363.425 0.914 20 30 FCEDMN C=CCOCCN1CC[C@@H]2CN(C(=O)c3ccnc4nc(C)nn43)[C@@H]2C1 ZINC001221944452 1225545622 /nfs/dbraw/zinc/54/56/22/1225545622.db2.gz PGUNQOMYWWLGOD-GDBMZVCRSA-N 0 1 356.430 0.782 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001041039717 1214673392 /nfs/dbraw/zinc/67/33/92/1214673392.db2.gz HKAVLIUANMMJHM-ZVZYQTTQSA-N 0 1 362.430 0.013 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3ccc4[nH]nnc4c3)[C@@H](O)C2)C1 ZINC000962982824 1214702089 /nfs/dbraw/zinc/70/20/89/1214702089.db2.gz VTPKYHWEVCDIND-CABCVRRESA-N 0 1 355.398 0.616 20 30 FCEDMN C[C@H]1CCc2n[nH]c(C(=O)N[C@@H]3CN(c4cnc(C#N)cn4)C[C@H]3O)c2C1 ZINC001041150502 1214723248 /nfs/dbraw/zinc/72/32/48/1214723248.db2.gz QHPHXOHHNCPMCV-COLVAYQJSA-N 0 1 367.413 0.176 20 30 FCEDMN C[C@H]1CCc2n[nH]c(C(=O)N[C@@H]3CN(c4nccnc4C#N)C[C@H]3O)c2C1 ZINC001041150158 1214723541 /nfs/dbraw/zinc/72/35/41/1214723541.db2.gz JYRUOUFTCSIYSC-COLVAYQJSA-N 0 1 367.413 0.176 20 30 FCEDMN COc1ccc(CN2CC[C@@H](NC(=O)NCC#CCN(C)C)C2=O)cc1 ZINC001221957349 1225553454 /nfs/dbraw/zinc/55/34/54/1225553454.db2.gz APPHVKUZYFZCEO-QGZVFWFLSA-N 0 1 358.442 0.660 20 30 FCEDMN C#CCOc1ccc(C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)cc1 ZINC000963527464 1214818418 /nfs/dbraw/zinc/81/84/18/1214818418.db2.gz WAKYDJJXXIEDPY-MSOLQXFVSA-N 0 1 371.437 0.096 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[nH]1 ZINC000964159762 1214903419 /nfs/dbraw/zinc/90/34/19/1214903419.db2.gz KWSDZHUAHIEUPH-BFHYXJOUSA-N 0 1 368.397 0.370 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1cnc(C)[nH]1 ZINC000964204754 1214910306 /nfs/dbraw/zinc/91/03/06/1214910306.db2.gz WWPVVAROASZWIL-YCPHGPKFSA-N 0 1 362.430 0.657 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000965203919 1215032633 /nfs/dbraw/zinc/03/26/33/1215032633.db2.gz ZOMZIGGPRUBIMZ-BMFZPTHFSA-N 0 1 361.446 0.826 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000965203919 1215032639 /nfs/dbraw/zinc/03/26/39/1215032639.db2.gz ZOMZIGGPRUBIMZ-BMFZPTHFSA-N 0 1 361.446 0.826 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCCN3CC)[C@@H](O)C2)cn1 ZINC000966081512 1215162242 /nfs/dbraw/zinc/16/22/42/1215162242.db2.gz LIBLCXMORWUVQL-KURKYZTESA-N 0 1 370.453 0.239 20 30 FCEDMN C#CCN1CCC(C(=O)N(CC)C2CN(C(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC000968037672 1215277183 /nfs/dbraw/zinc/27/71/83/1215277183.db2.gz BAVMZCLFSUSAHY-QAPCUYQASA-N 0 1 361.486 0.816 20 30 FCEDMN CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)COC)C[C@@H]21 ZINC001222422264 1225623451 /nfs/dbraw/zinc/62/34/51/1225623451.db2.gz IWZXDEWLPHETPL-ZACQAIPSSA-N 0 1 364.490 0.954 20 30 FCEDMN CCN(CCC#N)C(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](C)COC)C[C@@H]21 ZINC001222422264 1225623455 /nfs/dbraw/zinc/62/34/55/1225623455.db2.gz IWZXDEWLPHETPL-ZACQAIPSSA-N 0 1 364.490 0.954 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H]2CCN(CC(=O)N3CCO[C@H](C)C3)[C@H]2C1 ZINC001222452770 1225626189 /nfs/dbraw/zinc/62/61/89/1225626189.db2.gz UXAVUFRDEUDDKE-ZACQAIPSSA-N 0 1 365.474 0.359 20 30 FCEDMN C=C(C)C[C@@H](C)C(=O)NCCN1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001055620421 1215891948 /nfs/dbraw/zinc/89/19/48/1215891948.db2.gz QKPILCAUHNBABP-BMFZPTHFSA-N 0 1 364.490 0.407 20 30 FCEDMN C=CCOCC(=O)NC1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001055652840 1215900717 /nfs/dbraw/zinc/90/07/17/1215900717.db2.gz POEKYTHXCHTIPS-ZACQAIPSSA-N 0 1 365.474 0.453 20 30 FCEDMN O=C(C#CC1CC1)NC1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001055652892 1215900847 /nfs/dbraw/zinc/90/08/47/1215900847.db2.gz RIVYFIYCBYAGTL-KURKYZTESA-N 0 1 359.470 0.664 20 30 FCEDMN O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001055939519 1215925363 /nfs/dbraw/zinc/92/53/63/1215925363.db2.gz BJKQCTMOFCYRRQ-SPYBWZPUSA-N 0 1 356.426 0.396 20 30 FCEDMN C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccnn3C)nn2)C1 ZINC001000001917 1215986546 /nfs/dbraw/zinc/98/65/46/1215986546.db2.gz PKRDZSOEJMZVKH-BZUAXINKSA-N 0 1 353.430 0.312 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)CN2CCOCC2)C1 ZINC001000018831 1215994941 /nfs/dbraw/zinc/99/49/41/1215994941.db2.gz TYPRAIKILTVGCP-CVEARBPZSA-N 0 1 365.474 0.263 20 30 FCEDMN C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)nn2)C1 ZINC001000026739 1215998673 /nfs/dbraw/zinc/99/86/73/1215998673.db2.gz VGBZSANHGVGHHL-OKZBNKHCSA-N 0 1 350.426 0.973 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C[C@@H]21 ZINC001222699382 1225647014 /nfs/dbraw/zinc/64/70/14/1225647014.db2.gz BQNQFRLIIOWLAQ-UXLLHSPISA-N 0 1 359.474 0.749 20 30 FCEDMN C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnccn2)C3)CC1 ZINC001001124067 1216131530 /nfs/dbraw/zinc/13/15/30/1216131530.db2.gz XQSHFSPQGDVTAA-NUJGCVRESA-N 0 1 367.453 0.684 20 30 FCEDMN C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn[nH]2)C3)CC1 ZINC001001449312 1216208850 /nfs/dbraw/zinc/20/88/50/1216208850.db2.gz GEWMCHGPNKCNOF-OIISXLGYSA-N 0 1 355.442 0.617 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)CCN1c1nccnc1C#N ZINC001050601089 1216341022 /nfs/dbraw/zinc/34/10/22/1216341022.db2.gz VCQUGPSCURCXPO-UPJWGTAASA-N 0 1 351.414 0.960 20 30 FCEDMN COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21 ZINC001222948755 1225669998 /nfs/dbraw/zinc/66/99/98/1225669998.db2.gz CHUMVSARPXGIFM-CVEARBPZSA-N 0 1 368.441 0.619 20 30 FCEDMN COCC#CCN1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21 ZINC001222948755 1225669999 /nfs/dbraw/zinc/66/99/99/1225669999.db2.gz CHUMVSARPXGIFM-CVEARBPZSA-N 0 1 368.441 0.619 20 30 FCEDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1n1ccnn1 ZINC001051423397 1216439925 /nfs/dbraw/zinc/43/99/25/1216439925.db2.gz FTEHZQZUIPRWON-OAGGEKHMSA-N 0 1 366.429 0.185 20 30 FCEDMN N#Cc1ccccc1CNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCO1 ZINC001051828005 1216481988 /nfs/dbraw/zinc/48/19/88/1216481988.db2.gz WDPMKXZAIDHYKY-VKJFTORMSA-N 0 1 370.453 0.777 20 30 FCEDMN C[C@]12CN(C(=O)CCc3nc[nH]n3)C[C@H]1CN(c1ccnc(C#N)n1)C2 ZINC001052272715 1216506147 /nfs/dbraw/zinc/50/61/47/1216506147.db2.gz JILINXWKOBNFBN-PXAZEXFGSA-N 0 1 352.402 0.384 20 30 FCEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 ZINC001057711179 1216507894 /nfs/dbraw/zinc/50/78/94/1216507894.db2.gz LOUPEYJDPFPEEY-RDJZCZTQSA-N 0 1 364.446 0.261 20 30 FCEDMN Cc1nn[nH]c1C(=O)N1C[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@@]2(C)C1 ZINC001052512276 1216565477 /nfs/dbraw/zinc/56/54/77/1216565477.db2.gz XLRXHJMSTDYMOE-YVEFUNNKSA-N 0 1 352.402 0.682 20 30 FCEDMN CCc1nc(C#N)cc(N2C[C@@H]3CN(C(=O)c4[nH]nnc4C)C[C@]3(C)C2)n1 ZINC001052512200 1216565800 /nfs/dbraw/zinc/56/58/00/1216565800.db2.gz VWSWYBRKBUOOIC-XIKOKIGWSA-N 0 1 366.429 0.936 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C[C@@H]21 ZINC001223080193 1225680277 /nfs/dbraw/zinc/68/02/77/1225680277.db2.gz XCCQDHKMNCPDMR-OAGGEKHMSA-N 0 1 362.474 0.270 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)CCc1cnc[nH]1 ZINC001057900980 1216602750 /nfs/dbraw/zinc/60/27/50/1216602750.db2.gz BRXSUMPWFXJUFF-CVEARBPZSA-N 0 1 364.446 0.261 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001068862383 1216763497 /nfs/dbraw/zinc/76/34/97/1216763497.db2.gz CXGJOXRISBLGLG-RBSFLKMASA-N 0 1 354.410 0.413 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001069933324 1216850992 /nfs/dbraw/zinc/85/09/92/1216850992.db2.gz PNENPHYORJCRJK-CABCVRRESA-N 0 1 352.402 0.781 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069945773 1216859141 /nfs/dbraw/zinc/85/91/41/1216859141.db2.gz VTTUHVWIZXBVTC-PMPSAXMXSA-N 0 1 353.430 0.417 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cnc3nccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069946992 1216859776 /nfs/dbraw/zinc/85/97/76/1216859776.db2.gz DLTUHMFNZAUNIV-CVEARBPZSA-N 0 1 364.413 0.848 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001069946495 1216860125 /nfs/dbraw/zinc/86/01/25/1216860125.db2.gz UFTXMWQETYQBJJ-SJORKVTESA-N 0 1 354.414 0.751 20 30 FCEDMN N#Cc1cccc(CN2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](n3ccnn3)C2)c1 ZINC001069967331 1216873651 /nfs/dbraw/zinc/87/36/51/1216873651.db2.gz ZTHOHSSHRNPANP-CVEARBPZSA-N 0 1 363.385 0.123 20 30 FCEDMN N#CCN1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@@H](n2ccnn2)C1 ZINC001069968266 1216874778 /nfs/dbraw/zinc/87/47/78/1216874778.db2.gz QNSIXXYHAKDGHT-CVEARBPZSA-N 0 1 363.381 0.298 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069990216 1216886387 /nfs/dbraw/zinc/88/63/87/1216886387.db2.gz JAGBAQUFNRFUAY-SJORKVTESA-N 0 1 355.446 0.236 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2n2ccnn2)cc1 ZINC001069993519 1216887921 /nfs/dbraw/zinc/88/79/21/1216887921.db2.gz BKWSFBMEVDJLAD-OLMNPRSZSA-N 0 1 353.426 0.950 20 30 FCEDMN C=CCCn1cc(C(=O)N[C@@H]2CN(CCCC)C[C@@H]2n2ccnn2)nn1 ZINC001070048176 1216923028 /nfs/dbraw/zinc/92/30/28/1216923028.db2.gz CCRNQFSCVVFMJD-ZBFHGGJFSA-N 0 1 358.450 0.901 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)C[C@@H]21 ZINC001223580033 1225718063 /nfs/dbraw/zinc/71/80/63/1225718063.db2.gz JTKSBWCTVOKFQQ-BBWFWOEESA-N 0 1 357.458 0.506 20 30 FCEDMN N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccc4cncn4c3)C2)c(F)c1 ZINC001041251083 1217255807 /nfs/dbraw/zinc/25/58/07/1217255807.db2.gz WLPURYZVGWPCTA-HZPDHXFCSA-N 0 1 366.356 0.720 20 30 FCEDMN N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCc4[nH]cnc43)C2)c(F)c1 ZINC001041330849 1217283502 /nfs/dbraw/zinc/28/35/02/1217283502.db2.gz LFAQJVNGJHMBHF-NILFDRSVSA-N 0 1 370.388 0.601 20 30 FCEDMN CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001041430748 1217329316 /nfs/dbraw/zinc/32/93/16/1217329316.db2.gz ZCBMHKWRVNNADR-RBSFLKMASA-N 0 1 358.446 0.061 20 30 FCEDMN Cc1ccc2[nH]nc(C(=O)N[C@@H]3CN(c4nccnc4C#N)C[C@H]3O)c2c1 ZINC001041437678 1217333325 /nfs/dbraw/zinc/33/33/25/1217333325.db2.gz HIDQTCSRXQBPIM-HUUCEWRRSA-N 0 1 363.381 0.513 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001223879052 1225742286 /nfs/dbraw/zinc/74/22/86/1225742286.db2.gz MFMOUIASPQQMML-ZIVXASGVSA-N 0 1 361.486 0.929 20 30 FCEDMN CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC001042782116 1217459976 /nfs/dbraw/zinc/45/99/76/1217459976.db2.gz AHTSBDAUQQRBEA-ZIAGYGMSSA-N 0 1 355.402 0.630 20 30 FCEDMN COCC#CCN1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001223903880 1225744772 /nfs/dbraw/zinc/74/47/72/1225744772.db2.gz LHNNCJWBWHOJMF-ZBFHGGJFSA-N 0 1 369.425 0.621 20 30 FCEDMN CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)Cc1n[nH]c(C)n1 ZINC001042818875 1217472330 /nfs/dbraw/zinc/47/23/30/1217472330.db2.gz ZUOARLOIPQZHGA-CHWSQXEVSA-N 0 1 359.365 0.081 20 30 FCEDMN CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001042961446 1217531110 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20 30 FCEDMN C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1 ZINC001043675159 1217700286 /nfs/dbraw/zinc/70/02/86/1217700286.db2.gz SVPZMMZIXNECGL-HZPDHXFCSA-N 0 1 364.405 0.498 20 30 FCEDMN Cc1ccc(C#N)c(N2C[C@H]3OCCN(C(=O)Cc4ccn[nH]4)[C@H]3C2)n1 ZINC001043687584 1217706283 /nfs/dbraw/zinc/70/62/83/1217706283.db2.gz BYSMKEFUWGZIEM-JKSUJKDBSA-N 0 1 352.398 0.644 20 30 FCEDMN N#Cc1c(F)cccc1N1C[C@H]2OCCN(C(=O)CCc3nc[nH]n3)[C@H]2C1 ZINC001043692831 1217706824 /nfs/dbraw/zinc/70/68/24/1217706824.db2.gz AGNAFBDAHDICTI-JKSUJKDBSA-N 0 1 370.388 0.864 20 30 FCEDMN N#Cc1ccc(N2C[C@H]3OCCN(C(=O)CCc4c[nH]nn4)[C@H]3C2)nc1 ZINC001043796039 1217746678 /nfs/dbraw/zinc/74/66/78/1217746678.db2.gz ZWVYBKLZVUMHLD-LSDHHAIUSA-N 0 1 353.386 0.120 20 30 FCEDMN N#Cc1ccc(N2C[C@H]3OCCN(C(=O)CCc4cnn[nH]4)[C@H]3C2)nc1 ZINC001043796039 1217746681 /nfs/dbraw/zinc/74/66/81/1217746681.db2.gz ZWVYBKLZVUMHLD-LSDHHAIUSA-N 0 1 353.386 0.120 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21 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FCEDMN Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@@H]32)n1 ZINC001045231825 1217913717 /nfs/dbraw/zinc/91/37/17/1217913717.db2.gz SQYAUFPFZFAQQC-BBRMVZONSA-N 0 1 366.429 0.835 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)CCc4cnn[nH]4)C[C@@H]32)n1 ZINC001045231825 1217913724 /nfs/dbraw/zinc/91/37/24/1217913724.db2.gz SQYAUFPFZFAQQC-BBRMVZONSA-N 0 1 366.429 0.835 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCc3[nH]nnc3C2)n1 ZINC001045537809 1217938216 /nfs/dbraw/zinc/93/82/16/1217938216.db2.gz SHFHXMRRZAUGAL-JHJVBQTASA-N 0 1 366.429 0.533 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCc3nn[nH]c3C2)n1 ZINC001045537809 1217938219 /nfs/dbraw/zinc/93/82/19/1217938219.db2.gz SHFHXMRRZAUGAL-JHJVBQTASA-N 0 1 366.429 0.533 20 30 FCEDMN O=C(CO[C@H]1COCCN(Cc2ccccc2)C1)ON1C(=O)CCC1=O ZINC001224532893 1225782440 /nfs/dbraw/zinc/78/24/40/1225782440.db2.gz WOSQOWRTYBKJLT-OAHLLOKOSA-N 0 1 362.382 0.511 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001224546344 1225782908 /nfs/dbraw/zinc/78/29/08/1225782908.db2.gz KPBTYEHSPLFEGF-CWRNSKLLSA-N 0 1 364.490 0.230 20 30 FCEDMN C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccn(C)c(=O)c2)nn1 ZINC001096125503 1218071835 /nfs/dbraw/zinc/07/18/35/1218071835.db2.gz RAXGAYOVTLPNIK-VYDXJSESSA-N 0 1 368.441 0.698 20 30 FCEDMN N#Cc1cnc(N2C[C@@H](c3ccccc3)[C@H](NC(=O)c3cnn[nH]3)C2)cn1 ZINC001047156655 1218118180 /nfs/dbraw/zinc/11/81/80/1218118180.db2.gz VVANHKJISVXLAR-GOEBONIOSA-N 0 1 360.381 0.869 20 30 FCEDMN N#Cc1cnccc1N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001047348764 1218133766 /nfs/dbraw/zinc/13/37/66/1218133766.db2.gz KOGPCVDFVJDYJC-KCQAQPDRSA-N 0 1 365.441 0.995 20 30 FCEDMN N#Cc1cnccc1N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001047348764 1218133770 /nfs/dbraw/zinc/13/37/70/1218133770.db2.gz KOGPCVDFVJDYJC-KCQAQPDRSA-N 0 1 365.441 0.995 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC001047653874 1218171227 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C=CCCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575087891 1271715842 /nfs/dbraw/zinc/71/58/42/1271715842.db2.gz PHDHYPDSNMUPRW-DZKIICNBSA-N 0 1 360.462 0.746 20 30 FCEDMN C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575093874 1271717180 /nfs/dbraw/zinc/71/71/80/1271717180.db2.gz QJTNGJJHDGUECY-GOSISDBHSA-N 0 1 363.462 0.953 20 30 FCEDMN C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575093874 1271717188 /nfs/dbraw/zinc/71/71/88/1271717188.db2.gz QJTNGJJHDGUECY-GOSISDBHSA-N 0 1 363.462 0.953 20 30 FCEDMN C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(CCc3cn[nH]n3)C2)nn1 ZINC001575099948 1271718161 /nfs/dbraw/zinc/71/81/61/1271718161.db2.gz GYBXXKGNCSYCIS-HIFRSBDPSA-N 0 1 358.450 0.798 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H]2CN(C(=O)CCCc3c[nH]nn3)C[C@H]21 ZINC001575099839 1271719241 /nfs/dbraw/zinc/71/92/41/1271719241.db2.gz FOIRCBVMXBOYAJ-GOEBONIOSA-N 0 1 361.446 0.779 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@H]21 ZINC001575099839 1271719242 /nfs/dbraw/zinc/71/92/42/1271719242.db2.gz FOIRCBVMXBOYAJ-GOEBONIOSA-N 0 1 361.446 0.779 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CN(Cc2c[nH]nn2)CC2(CCOCC2)C1 ZINC001575100724 1271719250 /nfs/dbraw/zinc/71/92/50/1271719250.db2.gz VPBKUZXJLQIBTR-OAHLLOKOSA-N 0 1 363.462 0.885 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(CCc2cn[nH]n2)CCCO1 ZINC001575100862 1271720254 /nfs/dbraw/zinc/72/02/54/1271720254.db2.gz XYQNWEKJPGXDRX-GDBMZVCRSA-N 0 1 351.451 0.536 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C[C@@H]1C ZINC001575107746 1271721597 /nfs/dbraw/zinc/72/15/97/1271721597.db2.gz AFINJVNFRJRZJX-JSGCOSHPSA-N 0 1 370.413 0.789 20 30 FCEDMN C=CCOCC(=O)N1CCCC2(CN(C(=O)CCCc3c[nH]nn3)C2)C1 ZINC001575107778 1271721986 /nfs/dbraw/zinc/72/19/86/1271721986.db2.gz ARSVDAVYBVRSDO-UHFFFAOYSA-N 0 1 361.446 0.781 20 30 FCEDMN C=CCOCC(=O)N1CCCC2(CN(C(=O)CCCc3cnn[nH]3)C2)C1 ZINC001575107778 1271721993 /nfs/dbraw/zinc/72/19/93/1271721993.db2.gz ARSVDAVYBVRSDO-UHFFFAOYSA-N 0 1 361.446 0.781 20 30 FCEDMN C=CCOCC(=O)NC[C@H](C)NC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575110544 1271723930 /nfs/dbraw/zinc/72/39/30/1271723930.db2.gz SYKNPDVGDQHAAI-ZDUSSCGKSA-N 0 1 357.414 0.838 20 30 FCEDMN CC#CCCCC(=O)NCC[C@@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001575116948 1271729138 /nfs/dbraw/zinc/72/91/38/1271729138.db2.gz CVTITHKQZXWMSB-OAHLLOKOSA-N 0 1 367.475 0.104 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(C)n1C[C@@H]1NC(=O)CC1(C)C ZINC001575122129 1271732869 /nfs/dbraw/zinc/73/28/69/1271732869.db2.gz SRDXPPFIYLIGQK-AWEZNQCLSA-N 0 1 356.434 0.649 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575175499 1271763777 /nfs/dbraw/zinc/76/37/77/1271763777.db2.gz AQOWOFLCMVRECD-AAEUAGOBSA-N 0 1 353.386 0.747 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCOCc1c[nH]nn1 ZINC001575175535 1271763902 /nfs/dbraw/zinc/76/39/02/1271763902.db2.gz BAQPEQXTICGOBO-BPLDGKMQSA-N 0 1 360.418 0.463 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575176757 1271764525 /nfs/dbraw/zinc/76/45/25/1271764525.db2.gz HLIFCSKUZUMFCL-JSGCOSHPSA-N 0 1 370.413 0.109 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575176661 1271765561 /nfs/dbraw/zinc/76/55/61/1271765561.db2.gz GXDBGFQFURJSSR-RYUDHWBXSA-N 0 1 353.386 0.605 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575176621 1271765690 /nfs/dbraw/zinc/76/56/90/1271765690.db2.gz GMASVXXFXSTXKE-STQMWFEESA-N 0 1 367.413 0.947 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575177173 1271765828 /nfs/dbraw/zinc/76/58/28/1271765828.db2.gz KFEMEGKEZNAEEP-OLZOCXBDSA-N 0 1 367.413 0.995 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCCCc2cn[nH]n2)CC1 ZINC001575179430 1271769752 /nfs/dbraw/zinc/76/97/52/1271769752.db2.gz VDWJLXCOYMJXFY-CYBMUJFWSA-N 0 1 362.434 0.147 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001575179939 1271770529 /nfs/dbraw/zinc/77/05/29/1271770529.db2.gz XLVMWZHTERXKEG-ZFWWWQNUSA-N 0 1 374.445 0.363 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001575179939 1271770534 /nfs/dbraw/zinc/77/05/34/1271770534.db2.gz XLVMWZHTERXKEG-ZFWWWQNUSA-N 0 1 374.445 0.363 20 30 FCEDMN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](N)Cc2ccccn2)[C@H](C#N)C1 ZINC001575194840 1271778732 /nfs/dbraw/zinc/77/87/32/1271778732.db2.gz HBWVZQIIXJIZTC-HUUCEWRRSA-N 0 1 359.430 0.923 20 30 FCEDMN CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575318998 1271920957 /nfs/dbraw/zinc/92/09/57/1271920957.db2.gz VEBFINSLWRDCBJ-ZBFHGGJFSA-N 0 1 361.446 0.819 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CCCCCN1CC(=O)NCc1c[nH]nn1 ZINC001575319000 1271922157 /nfs/dbraw/zinc/92/21/57/1271922157.db2.gz VGQMOPWJMRRURT-INIZCTEOSA-N 0 1 360.462 0.441 20 30 FCEDMN C[C@@H](CNC(=O)C#CC1CC1)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575566228 1272202064 /nfs/dbraw/zinc/20/20/64/1272202064.db2.gz HJHZPLJTIOJMSA-LBPRGKRZSA-N 0 1 352.398 0.762 20 30 FCEDMN C[C@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)CSCC#N ZINC001575603447 1272229260 /nfs/dbraw/zinc/22/92/60/1272229260.db2.gz PWUPWFBWCPDSNS-SNVBAGLBSA-N 0 1 359.415 0.358 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001575717376 1272363338 /nfs/dbraw/zinc/36/33/38/1272363338.db2.gz DCLMFMIUWWKTJF-GFCCVEGCSA-N 0 1 370.417 0.499 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](N(C)c2ccncc2C#N)C1 ZINC001575742627 1272412113 /nfs/dbraw/zinc/41/21/13/1272412113.db2.gz PGKOISMAQVEGQL-SWLSCSKDSA-N 0 1 355.402 0.714 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001575827744 1272493360 /nfs/dbraw/zinc/49/33/60/1272493360.db2.gz QYDRUHDEJJHNRI-OLZOCXBDSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@@H](NC(=O)[C@@H](C)OCc1c[nH]nn1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575841071 1272512107 /nfs/dbraw/zinc/51/21/07/1272512107.db2.gz SJBODDZNXNXSSZ-GHMZBOCLSA-N 0 1 371.401 0.186 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575851671 1272524476 /nfs/dbraw/zinc/52/44/76/1272524476.db2.gz CZGBJFOKXGTELU-BMIGLBTASA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001575880066 1272545109 /nfs/dbraw/zinc/54/51/09/1272545109.db2.gz RMYGGABHWOLLTA-VHDGCEQUSA-N 0 1 359.430 0.524 20 30 FCEDMN C[C@@]1(CCC(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)CCC(=O)N1 ZINC001575974427 1272630194 /nfs/dbraw/zinc/63/01/94/1272630194.db2.gz VBFFJTLMWRCEFW-SFHVURJKSA-N 0 1 373.461 0.570 20 30 FCEDMN C[C@]1(CNc2ccc(C#N)nn2)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575988851 1272648524 /nfs/dbraw/zinc/64/85/24/1272648524.db2.gz YXLJPAZVUQFEBK-QGZVFWFLSA-N 0 1 370.417 0.724 20 30 FCEDMN C[C@H]1[C@H](NC(=O)CCOCc2c[nH]nn2)CCCN1c1cncc(C#N)n1 ZINC001576021443 1272723337 /nfs/dbraw/zinc/72/33/37/1272723337.db2.gz MNPSKOMHSDHCNA-SWLSCSKDSA-N 0 1 370.417 0.547 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576026751 1272729038 /nfs/dbraw/zinc/72/90/38/1272729038.db2.gz MFTNJXFWYKHSLT-FZMZJTMJSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576051793 1272782718 /nfs/dbraw/zinc/78/27/18/1272782718.db2.gz IPRRKOKUXPCZJE-ZWNOBZJWSA-N 0 1 363.385 0.598 20 30 FCEDMN CCN(CCNC(=O)C#CC1CC1)C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001576528608 1273415171 /nfs/dbraw/zinc/41/51/71/1273415171.db2.gz DZWPRXGVBLTLMJ-UHFFFAOYSA-N 0 1 352.398 0.858 20 30 FCEDMN CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001576543558 1273428357 /nfs/dbraw/zinc/42/83/57/1273428357.db2.gz PETYVUQBCGQDDM-HNNXBMFYSA-N 0 1 369.433 0.391 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001576738670 1273608361 /nfs/dbraw/zinc/60/83/61/1273608361.db2.gz ROVCSUHCEPTLNS-CQSZACIVSA-N 0 1 355.402 0.700 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001576738670 1273608367 /nfs/dbraw/zinc/60/83/67/1273608367.db2.gz ROVCSUHCEPTLNS-CQSZACIVSA-N 0 1 355.402 0.700 20 30 FCEDMN CN(CCOCCNC(=O)CCCc1c[nH]nn1)C(=O)C#CC(C)(C)C ZINC001576834212 1273761752 /nfs/dbraw/zinc/76/17/52/1273761752.db2.gz PHTZLPNILUUWHJ-UHFFFAOYSA-N 0 1 363.462 0.768 20 30 FCEDMN CN(CCOCCNC(=O)CCCc1cnn[nH]1)C(=O)C#CC(C)(C)C ZINC001576834212 1273761759 /nfs/dbraw/zinc/76/17/59/1273761759.db2.gz PHTZLPNILUUWHJ-UHFFFAOYSA-N 0 1 363.462 0.768 20 30 FCEDMN COCC#CCN1CCCO[C@@H](CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001576952079 1273971621 /nfs/dbraw/zinc/97/16/21/1273971621.db2.gz DWUWWTWMPCZTRJ-KRWDZBQOSA-N 0 1 363.462 0.374 20 30 FCEDMN Cc1cc(N[C@@H](C)CN(C)C(=O)CCOCc2c[nH]nn2)c(C#N)cn1 ZINC001577343944 1274355222 /nfs/dbraw/zinc/35/52/22/1274355222.db2.gz PYDRMPKGUCZWKI-ZDUSSCGKSA-N 0 1 357.418 0.667 20 30 FCEDMN Cc1nc(N[C@@H]2CCN(C(=O)[C@@H](C)OCc3c[nH]nn3)C2)ccc1C#N ZINC001577557549 1274501049 /nfs/dbraw/zinc/50/10/49/1274501049.db2.gz LCHXHALASIYHNZ-TZMCWYRMSA-N 0 1 355.402 0.998 20 30 FCEDMN Cn1cc([C@@H]2C[C@H]2C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)cn1 ZINC001577658648 1274669005 /nfs/dbraw/zinc/66/90/05/1274669005.db2.gz JMPLENCBIQXYLB-DLBZAZTESA-N 0 1 368.445 0.658 20 30 FCEDMN N#Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c[nH]1 ZINC001577712586 1274774525 /nfs/dbraw/zinc/77/45/25/1274774525.db2.gz RKCUICBQUZVIKR-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c[nH]1 ZINC001577712586 1274774533 /nfs/dbraw/zinc/77/45/33/1274774533.db2.gz RKCUICBQUZVIKR-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1nccc(N2CCOC[C@H]2CNC(=O)CCCCc2cn[nH]n2)n1 ZINC001577718991 1274782208 /nfs/dbraw/zinc/78/22/08/1274782208.db2.gz DLYMKZWPOVKGHK-CQSZACIVSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1cnc(N2CC[C@@H](NC(=O)c3cncc(-c4cn[nH]n4)c3)C2)cn1 ZINC001577719014 1274782483 /nfs/dbraw/zinc/78/24/83/1274782483.db2.gz FNHIRXSLAMLVKB-CYBMUJFWSA-N 0 1 361.369 0.537 20 30 FCEDMN N#Cc1nccnc1N1CCC(NC(=O)CCOCc2c[nH]nn2)CC1 ZINC001577719029 1274783085 /nfs/dbraw/zinc/78/30/85/1274783085.db2.gz GBBWHDMTMJMEPI-UHFFFAOYSA-N 0 1 356.390 0.158 20 30 FCEDMN N#Cc1cnccc1N[C@@H]1CCCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577719048 1274783161 /nfs/dbraw/zinc/78/31/61/1274783161.db2.gz GQNHGBITJCUQFB-CQSZACIVSA-N 0 1 355.402 0.503 20 30 FCEDMN O=C(CCOCc1c[nH]nn1)NCCC1CCN(C(=O)C#CC2CC2)CC1 ZINC001577887612 1275092015 /nfs/dbraw/zinc/09/20/15/1275092015.db2.gz LYHWKDISUDRGQU-UHFFFAOYSA-N 0 1 373.457 0.870 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577995362 1275245602 /nfs/dbraw/zinc/24/56/02/1275245602.db2.gz AVABQSFMVGBFOK-AWEZNQCLSA-N 0 1 364.409 0.858 20 30 FCEDMN CCOC(=O)C1([C@@H](C)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCOCC1 ZINC001578242653 1275544558 /nfs/dbraw/zinc/54/45/58/1275544558.db2.gz MECWCOUSFKLDJI-SNVBAGLBSA-N 0 1 372.389 0.689 20 30 FCEDMN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2C#N)cc1Cl ZINC001578829049 1276339830 /nfs/dbraw/zinc/33/98/30/1276339830.db2.gz BHKARDVRJMBFAB-PRHODGIISA-N 0 1 358.807 0.908 20 30 FCEDMN C[NH+](C)CCOc1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)ccn1 ZINC001578992539 1276567364 /nfs/dbraw/zinc/56/73/64/1276567364.db2.gz YZUHEOOEFZCDKD-UHFFFAOYSA-N 0 1 366.389 0.476 20 30 FCEDMN CN(CCOCCNC(=O)C#CC(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001579227997 1277037750 /nfs/dbraw/zinc/03/77/50/1277037750.db2.gz UPQSJBYLRRGONK-UHFFFAOYSA-N 0 1 372.433 0.275 20 30 FCEDMN CN(CCOCCNC(=O)C#CC(C)(C)C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579227997 1277037752 /nfs/dbraw/zinc/03/77/52/1277037752.db2.gz UPQSJBYLRRGONK-UHFFFAOYSA-N 0 1 372.433 0.275 20 30 FCEDMN COc1cccc([C@H]2CNCCN2C(=O)NCCn2cnc(C#N)n2)c1 ZINC001579267931 1277065433 /nfs/dbraw/zinc/06/54/33/1277065433.db2.gz JMMGAGDCORPKPW-OAHLLOKOSA-N 0 1 355.402 0.514 20 30 FCEDMN C[N@H+]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)[C@H](Cc2ccccc2)C1 ZINC001579377203 1277255536 /nfs/dbraw/zinc/25/55/36/1277255536.db2.gz KQQCUHRSKJBHTB-CQSZACIVSA-N 0 1 361.413 0.891 20 30 FCEDMN C[N@@H+]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H](Cc2ccccc2)C1 ZINC001579377203 1277255555 /nfs/dbraw/zinc/25/55/55/1277255555.db2.gz KQQCUHRSKJBHTB-CQSZACIVSA-N 0 1 361.413 0.891 20 30 FCEDMN C[N@H+]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H](Cc2ccccc2)C1 ZINC001579377203 1277255561 /nfs/dbraw/zinc/25/55/61/1277255561.db2.gz KQQCUHRSKJBHTB-CQSZACIVSA-N 0 1 361.413 0.891 20 30 FCEDMN COC(=O)CCN(C[C@@H]1CCCO1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579447336 1277337809 /nfs/dbraw/zinc/33/78/09/1277337809.db2.gz JEQKPDKXJGDKKQ-JTQLQIEISA-N 0 1 358.362 0.077 20 30 FCEDMN COC(=O)c1cc(C(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c(C)[nH]1 ZINC001579477166 1277383235 /nfs/dbraw/zinc/38/32/35/1277383235.db2.gz BXJYGDBEAKBTDA-UHFFFAOYSA-N 0 1 354.330 0.549 20 30 FCEDMN CC(C)(C)OC(=O)N[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001603098819 1287308602 /nfs/dbraw/zinc/30/86/02/1287308602.db2.gz FXWCQJJYBALILJ-VIFPVBQESA-N 0 1 357.378 0.632 20 30 FCEDMN COc1c(C)[nH]cc(CN(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)c1=O ZINC001579875265 1277946090 /nfs/dbraw/zinc/94/60/90/1277946090.db2.gz VEHCUHLIWGBGBJ-UHFFFAOYSA-N 0 1 353.346 0.170 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001579939264 1277970598 /nfs/dbraw/zinc/97/05/98/1277970598.db2.gz NVIXZQPZKGNSSY-NEPJUHHUSA-N 0 1 357.418 0.971 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603189993 1287326516 /nfs/dbraw/zinc/32/65/16/1287326516.db2.gz SXONYDJEBGWSNA-ZIAGYGMSSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603189989 1287326793 /nfs/dbraw/zinc/32/67/93/1287326793.db2.gz SXONYDJEBGWSNA-KGLIPLIRSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001603190085 1287326849 /nfs/dbraw/zinc/32/68/49/1287326849.db2.gz VNJCXJKBVAAKHW-ZIAGYGMSSA-N 0 1 368.445 0.635 20 30 FCEDMN Cc1cc(NC[C@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581012327 1279238778 /nfs/dbraw/zinc/23/87/78/1279238778.db2.gz UOXISERIGMOERE-NSHDSACASA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cccc(C)c1OC[C@@H](O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001581234929 1279521946 /nfs/dbraw/zinc/52/19/46/1279521946.db2.gz MGEWIVRJLKBRLU-LBPRGKRZSA-N 0 1 366.385 0.997 20 30 FCEDMN CCN(CCC#N)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2C1 ZINC001717013123 1287401859 /nfs/dbraw/zinc/40/18/59/1287401859.db2.gz WFWBMPIVJRDQJI-ILOCAZANSA-N 0 1 374.485 0.706 20 30 FCEDMN N#CC[C@@]1(O)CCN(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001581858145 1280608130 /nfs/dbraw/zinc/60/81/30/1280608130.db2.gz SGASIICWQNPUJE-LLVKDONJSA-N 0 1 354.783 0.859 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@H](O)c1cc(Br)no1 ZINC001581860587 1280613400 /nfs/dbraw/zinc/61/34/00/1280613400.db2.gz IHPJKVBEXWAXRG-YFKPBYRVSA-N 0 1 366.139 0.001 20 30 FCEDMN N#Cc1cc(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)c[nH]1 ZINC001581864655 1280619261 /nfs/dbraw/zinc/61/92/61/1280619261.db2.gz GWFMQDDGMMNQBI-UHFFFAOYSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001581868627 1280624950 /nfs/dbraw/zinc/62/49/50/1280624950.db2.gz ZPWIJJLRDZCFLP-GFCCVEGCSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1nc(N2CC[NH+](CC3CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581879546 1280637558 /nfs/dbraw/zinc/63/75/58/1280637558.db2.gz OZSBRXYOBAKOFY-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN N#Cc1nc(N2CC[NH+](CC3CCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581879546 1280637568 /nfs/dbraw/zinc/63/75/68/1280637568.db2.gz OZSBRXYOBAKOFY-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN N#Cc1ncc(N2CCC(OC[C@@H]3CCOC3)CC2)nc1-c1nn[nH]n1 ZINC001581881900 1280640649 /nfs/dbraw/zinc/64/06/49/1280640649.db2.gz DQDXTLXTSHNLHB-LLVKDONJSA-N 0 1 356.390 0.550 20 30 FCEDMN N#Cc1ncc(N2CCOC[C@H]2CC2CCOCC2)nc1-c1nn[nH]n1 ZINC001581882497 1280643197 /nfs/dbraw/zinc/64/31/97/1280643197.db2.gz AYOADTIOYFJXCY-GFCCVEGCSA-N 0 1 356.390 0.550 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCCN(CC(F)(F)F)C2=O)nc1-c1nn[nH]n1 ZINC001581882513 1280643256 /nfs/dbraw/zinc/64/32/56/1280643256.db2.gz BRLCEKKCJRMKMD-ZETCQYMHSA-N 0 1 367.295 0.494 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(Cc3ccccc3)C2=O)nc1-c1nn[nH]n1 ZINC001581883354 1280646504 /nfs/dbraw/zinc/64/65/04/1280646504.db2.gz XILIHFJOSDIHLN-GFCCVEGCSA-N 0 1 361.369 0.741 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(c3ncccc3F)C2)nc1-c1nn[nH]n1 ZINC001581883127 1280647509 /nfs/dbraw/zinc/64/75/09/1280647509.db2.gz OUFPYUVTKNBSQI-VIFPVBQESA-N 0 1 352.337 0.753 20 30 FCEDMN N#Cc1sc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)nc1Cl ZINC001581886093 1280654595 /nfs/dbraw/zinc/65/45/95/1280654595.db2.gz YUKQHINUFMUAST-UHFFFAOYSA-N 0 1 365.770 0.261 20 30 FCEDMN O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001581912721 1280716711 /nfs/dbraw/zinc/71/67/11/1280716711.db2.gz VZSSTHSCSFNYIG-FZKQIMNGSA-N 0 1 364.413 0.688 20 30 FCEDMN C#CCCCC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588338358 1282430515 /nfs/dbraw/zinc/43/05/15/1282430515.db2.gz KAJMLQUSDIJLAJ-UHFFFAOYSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588338661 1282432509 /nfs/dbraw/zinc/43/25/09/1282432509.db2.gz NTJSIGZSPPFHLV-CHWSQXEVSA-N 0 1 354.418 0.934 20 30 FCEDMN C#CCCCCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588342187 1282438785 /nfs/dbraw/zinc/43/87/85/1282438785.db2.gz HHGDDTUELALMOG-ZDUSSCGKSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344693 1282440536 /nfs/dbraw/zinc/44/05/36/1282440536.db2.gz AKOIRYGYTJYOPJ-OKILXGFUSA-N 0 1 368.445 0.969 20 30 FCEDMN C#CCCCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344219 1282440852 /nfs/dbraw/zinc/44/08/52/1282440852.db2.gz ILBQTUVPQMKISJ-CYBMUJFWSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588348371 1282442014 /nfs/dbraw/zinc/44/20/14/1282442014.db2.gz SLZREYFQOKEZED-OCCSQVGLSA-N 0 1 366.429 0.743 20 30 FCEDMN C#CCN(CC)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC(=C)C ZINC001588350753 1282444254 /nfs/dbraw/zinc/44/42/54/1282444254.db2.gz OOYZVVIUZZCIGR-UHFFFAOYSA-N 0 1 353.394 0.134 20 30 FCEDMN C#CCN(CC#CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CC1CC1 ZINC001588350187 1282444527 /nfs/dbraw/zinc/44/45/27/1282444527.db2.gz HMVGKPRFBOCBIV-UHFFFAOYSA-N 0 1 362.401 0.721 20 30 FCEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588351038 1282446099 /nfs/dbraw/zinc/44/60/99/1282446099.db2.gz ZCEKIMQCXCGBTE-NSHDSACASA-N 0 1 354.349 0.820 20 30 FCEDMN C#CC[NH+]1CCC(C(=O)NCCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588351626 1282447335 /nfs/dbraw/zinc/44/73/35/1282447335.db2.gz BLCJMUAUNCMCJL-UHFFFAOYSA-N 0 1 354.418 0.135 20 30 FCEDMN C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@@H]1CCOC1 ZINC001588351056 1282447826 /nfs/dbraw/zinc/44/78/26/1282447826.db2.gz ZHWBYWROXKBKSA-NSHDSACASA-N 0 1 368.405 0.344 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588355715 1282455985 /nfs/dbraw/zinc/45/59/85/1282455985.db2.gz LODFWHSKQPBMCN-IUODEOHRSA-N 0 1 372.404 0.735 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001588356640 1282460715 /nfs/dbraw/zinc/46/07/15/1282460715.db2.gz YWBDBZRNSHRYTH-KBPBESRZSA-N 0 1 371.445 0.665 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588356882 1282462293 /nfs/dbraw/zinc/46/22/93/1282462293.db2.gz HAEPCBKUDMDGJN-IYXRBSQSSA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588356881 1282463122 /nfs/dbraw/zinc/46/31/22/1282463122.db2.gz HAEPCBKUDMDGJN-IHRRRGAJSA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588357648 1282467326 /nfs/dbraw/zinc/46/73/26/1282467326.db2.gz ODYKFTWCVDTQMF-ZYOFXKKJSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588357648 1282467332 /nfs/dbraw/zinc/46/73/32/1282467332.db2.gz ODYKFTWCVDTQMF-ZYOFXKKJSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001588360607 1282478826 /nfs/dbraw/zinc/47/88/26/1282478826.db2.gz RZEQRALIPOHTRZ-UYHMYPTGSA-N 0 1 367.413 0.159 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361976 1282486496 /nfs/dbraw/zinc/48/64/96/1282486496.db2.gz VIJQVIHBFAEWCS-CYBMUJFWSA-N 0 1 357.418 0.339 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588362812 1282488925 /nfs/dbraw/zinc/48/89/25/1282488925.db2.gz VUYYQZDTTHHLRM-BETUJISGSA-N 0 1 374.470 0.953 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588362812 1282488932 /nfs/dbraw/zinc/48/89/32/1282488932.db2.gz VUYYQZDTTHHLRM-BETUJISGSA-N 0 1 374.470 0.953 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCCNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001588364418 1282491075 /nfs/dbraw/zinc/49/10/75/1282491075.db2.gz DZVSSAAMYOWJFJ-UHFFFAOYSA-N 0 1 363.385 0.029 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](CC)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001588368706 1282493626 /nfs/dbraw/zinc/49/36/26/1282493626.db2.gz XFBGLCUTKCDOJS-LBPRGKRZSA-N 0 1 363.385 0.075 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)c1 ZINC001588380398 1282495551 /nfs/dbraw/zinc/49/55/51/1282495551.db2.gz DLJVWSHPKXKWQP-LBPRGKRZSA-N 0 1 362.397 0.893 20 30 FCEDMN C#Cc1cncc(C(=O)NCCNCc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001588379212 1282495974 /nfs/dbraw/zinc/49/59/74/1282495974.db2.gz BZFROWMFRWKZSA-UHFFFAOYSA-N 0 1 365.372 0.902 20 30 FCEDMN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)OCC ZINC001588410164 1282503122 /nfs/dbraw/zinc/50/31/22/1282503122.db2.gz MQQSHQVMOQVKOP-SECBINFHSA-N 0 1 355.376 0.636 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468526 1282514339 /nfs/dbraw/zinc/51/43/39/1282514339.db2.gz LUSOTROOKXYBHG-VXGBXAGGSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588468703 1282515037 /nfs/dbraw/zinc/51/50/37/1282515037.db2.gz NRRZUNVZFIRCEC-LBPRGKRZSA-N 0 1 359.434 0.729 20 30 FCEDMN C=CC(C)(C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001588474916 1282517593 /nfs/dbraw/zinc/51/75/93/1282517593.db2.gz KXSRZFPEPIEJAV-UHFFFAOYSA-N 0 1 371.445 0.973 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588498479 1282525021 /nfs/dbraw/zinc/52/50/21/1282525021.db2.gz AIABQOMAMIFXAO-PXAZEXFGSA-N 0 1 372.433 0.269 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588495656 1282526023 /nfs/dbraw/zinc/52/60/23/1282526023.db2.gz HRCAQWJTFVMGHJ-SJKOYZFVSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501030 1282535881 /nfs/dbraw/zinc/53/58/81/1282535881.db2.gz IKAAIZGQVWVYET-SJKOYZFVSA-N 0 1 372.433 0.411 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588501923 1282537485 /nfs/dbraw/zinc/53/74/85/1282537485.db2.gz PINIWBZIICAUDY-FZKQIMNGSA-N 0 1 371.445 0.804 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588501857 1282538405 /nfs/dbraw/zinc/53/84/05/1282538405.db2.gz OOUOJRXBUGIOQU-PZDGAKPMSA-N 0 1 371.445 0.578 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588501930 1282538932 /nfs/dbraw/zinc/53/89/32/1282538932.db2.gz PMZADIMTGJIROG-SJCJKPOMSA-N 0 1 372.433 0.199 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588502516 1282541263 /nfs/dbraw/zinc/54/12/63/1282541263.db2.gz SPIQOWVHFMWOEV-DIFFPNOSSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588505208 1282546981 /nfs/dbraw/zinc/54/69/81/1282546981.db2.gz NPKPJYCIUMNPMX-BWACUDIHSA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588505769 1282547515 /nfs/dbraw/zinc/54/75/15/1282547515.db2.gz XDKUXNYRQZNYHB-INIZCTEOSA-N 0 1 372.433 0.247 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588519332 1282556711 /nfs/dbraw/zinc/55/67/11/1282556711.db2.gz XTMQQEOEKPXORR-STQMWFEESA-N 0 1 359.434 0.517 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588531490 1282560820 /nfs/dbraw/zinc/56/08/20/1282560820.db2.gz CWSUXUXREVDEIC-VXGBXAGGSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588531487 1282562540 /nfs/dbraw/zinc/56/25/40/1282562540.db2.gz CWSUXUXREVDEIC-NEPJUHHUSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC[C@@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC[NH2+]1 ZINC001588552075 1282565870 /nfs/dbraw/zinc/56/58/70/1282565870.db2.gz MXGPRWKPASAHAH-SFHVURJKSA-N 0 1 368.445 0.609 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](OCC)C1 ZINC001588571256 1282568443 /nfs/dbraw/zinc/56/84/43/1282568443.db2.gz IFRDTDCXRMCINT-CHWSQXEVSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CCCCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588588075 1282575960 /nfs/dbraw/zinc/57/59/60/1282575960.db2.gz CKRRMUHWMRIIPQ-CYBMUJFWSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001588590412 1282577646 /nfs/dbraw/zinc/57/76/46/1282577646.db2.gz LXFZDXRCIISCTI-CVEARBPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001588611476 1282590128 /nfs/dbraw/zinc/59/01/28/1282590128.db2.gz TYAWONLGBVVBES-HIFRSBDPSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588615863 1282592449 /nfs/dbraw/zinc/59/24/49/1282592449.db2.gz LCIFUCHMPXGBFE-ZDUSSCGKSA-N 0 1 357.418 0.858 20 30 FCEDMN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588627659 1282603395 /nfs/dbraw/zinc/60/33/95/1282603395.db2.gz DWZNJBWTOWZIIQ-MNOVXSKESA-N 0 1 360.378 0.152 20 30 FCEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@H](C)O2 ZINC001588657760 1282609575 /nfs/dbraw/zinc/60/95/75/1282609575.db2.gz WARSEJNAPMQOGE-YVEFUNNKSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001588659715 1282614335 /nfs/dbraw/zinc/61/43/35/1282614335.db2.gz QHWBGVKYKQVVNB-ZDUSSCGKSA-N 0 1 372.433 0.081 20 30 FCEDMN C=CCOCC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001588672423 1282627153 /nfs/dbraw/zinc/62/71/53/1282627153.db2.gz VNDKCEUBYNMBIC-ACJLOTCBSA-N 0 1 369.429 0.749 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001588674168 1282630393 /nfs/dbraw/zinc/63/03/93/1282630393.db2.gz JZPWXEXFXMHBQK-GFCCVEGCSA-N 0 1 370.417 0.334 20 30 FCEDMN C=CCOCCCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588680792 1282637381 /nfs/dbraw/zinc/63/73/81/1282637381.db2.gz DOFFKJRNYQFFMO-QGZVFWFLSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCOCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682737 1282643696 /nfs/dbraw/zinc/64/36/96/1282643696.db2.gz RQXVFCLTWCIOGP-GFCCVEGCSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCn1cc(C(=O)NCCNCc2cc(-c3nn[nH]n3)ccc2F)nn1 ZINC001588713186 1282660197 /nfs/dbraw/zinc/66/01/97/1282660197.db2.gz HMNLJCQQJDIZCS-UHFFFAOYSA-N 0 1 371.380 0.303 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001588723307 1282673383 /nfs/dbraw/zinc/67/33/83/1282673383.db2.gz KSQPKWFXSWJWBC-KCXAZCMYSA-N 0 1 371.445 0.827 20 30 FCEDMN CC#CCCCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588743914 1282684872 /nfs/dbraw/zinc/68/48/72/1282684872.db2.gz OCEXBVJVAYZWBR-ZDUSSCGKSA-N 0 1 370.417 0.172 20 30 FCEDMN CC#CCCCC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588744360 1282686844 /nfs/dbraw/zinc/68/68/44/1282686844.db2.gz XXQJITRUEKLFDB-UHFFFAOYSA-N 0 1 354.418 0.935 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)CCOCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588926610 1282726813 /nfs/dbraw/zinc/72/68/13/1282726813.db2.gz IFBMDYDGQHWBRI-GFCCVEGCSA-N 0 1 358.406 0.333 20 30 FCEDMN C[C@H](C#N)C(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001588929065 1282729708 /nfs/dbraw/zinc/72/97/08/1282729708.db2.gz HSMLIDYYKWENQH-CYBMUJFWSA-N 0 1 369.433 0.050 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589068676 1282791983 /nfs/dbraw/zinc/79/19/83/1282791983.db2.gz WABZVLDWGJWMQQ-UHFFFAOYSA-N 0 1 354.418 0.531 20 30 FCEDMN CC(C)(C)C#CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001589068588 1282792293 /nfs/dbraw/zinc/79/22/93/1282792293.db2.gz TYMVNVYQOUXCBK-LBPRGKRZSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001589379884 1282854610 /nfs/dbraw/zinc/85/46/10/1282854610.db2.gz FARMEMQZBQSSQD-OAHLLOKOSA-N 0 1 353.430 0.992 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589380166 1282858129 /nfs/dbraw/zinc/85/81/29/1282858129.db2.gz OCTUQTRFFHZEAI-QWHCGFSZSA-N 0 1 354.418 0.387 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589384673 1282860975 /nfs/dbraw/zinc/86/09/75/1282860975.db2.gz NENYGWSDCOFLPN-KBPBESRZSA-N 0 1 368.445 0.777 20 30 FCEDMN CC(C)C#CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001589386885 1282864454 /nfs/dbraw/zinc/86/44/54/1282864454.db2.gz DEYBQTQHDUBPGG-UHFFFAOYSA-N 0 1 366.429 0.577 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001589388315 1282865965 /nfs/dbraw/zinc/86/59/65/1282865965.db2.gz VVQJNSXTLGATSN-IRXDYDNUSA-N 0 1 368.441 0.578 20 30 FCEDMN CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccncc1-c1nn[nH]n1 ZINC001604306082 1287604366 /nfs/dbraw/zinc/60/43/66/1287604366.db2.gz HMEZGTWJLUWWKG-UHFFFAOYSA-N 0 1 351.374 0.718 20 30 FCEDMN Cn1c(=O)[n-]c(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c(C#N)c1=O ZINC001642555123 1283020004 /nfs/dbraw/zinc/02/00/04/1283020004.db2.gz NALDJZGXEFSJPQ-UHFFFAOYSA-N 0 1 369.425 0.818 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590169833 1283265249 /nfs/dbraw/zinc/26/52/49/1283265249.db2.gz DNQXVYRKKLGGGG-QWRGUYRKSA-N 0 1 373.446 0.387 20 30 FCEDMN CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001591055843 1284113372 /nfs/dbraw/zinc/11/33/72/1284113372.db2.gz IPBUXGJYIYNPCM-ZDUSSCGKSA-N 0 1 352.402 0.497 20 30 FCEDMN COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001591362813 1284499614 /nfs/dbraw/zinc/49/96/14/1284499614.db2.gz XYQOWXFTXRDIBF-UGSOOPFHSA-N 0 1 369.429 0.429 20 30 FCEDMN COCC#CCN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001591362988 1284499978 /nfs/dbraw/zinc/49/99/78/1284499978.db2.gz YOTOQNYLPVPWET-QWHCGFSZSA-N 0 1 357.418 0.427 20 30 FCEDMN COCC[C@@H](NC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC ZINC001591398897 1284538051 /nfs/dbraw/zinc/53/80/51/1284538051.db2.gz MFVQCDVTBNMQCF-UONOGXRCSA-N 0 1 372.385 0.243 20 30 FCEDMN COc1cc(C#N)ccc1OCCn1c(=O)ccc(-c2nn[nH]n2)c1OC ZINC001591509211 1284697706 /nfs/dbraw/zinc/69/77/06/1284697706.db2.gz RYNRBIHYEVDULL-UHFFFAOYSA-N 0 1 368.353 0.996 20 30 FCEDMN Cc1cc(N2CCCN(C(=O)CSCC#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592006108 1285054466 /nfs/dbraw/zinc/05/44/66/1285054466.db2.gz PIISHGBYSWQERP-UHFFFAOYSA-N 0 1 372.458 0.866 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)o1 ZINC001592335617 1285244128 /nfs/dbraw/zinc/24/41/28/1285244128.db2.gz FQMJNQHYWDTVOJ-LBPRGKRZSA-N 0 1 372.389 0.131 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC001592335203 1285245541 /nfs/dbraw/zinc/24/55/41/1285245541.db2.gz OTKFHNLYMSINGJ-KOLCDFICSA-N 0 1 371.405 0.648 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)c1ccc2c(c1)CC(=O)N2C ZINC001592335508 1285245872 /nfs/dbraw/zinc/24/58/72/1285245872.db2.gz RKMSJICACXKUHG-UHFFFAOYSA-N 0 1 362.353 0.645 20 30 FCEDMN N#C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592673154 1285567617 /nfs/dbraw/zinc/56/76/17/1285567617.db2.gz VFVPUOIOGCZMAZ-VIFPVBQESA-N 0 1 363.359 0.699 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679528 1285576039 /nfs/dbraw/zinc/57/60/39/1285576039.db2.gz SUYZTFRWTZCULV-QWRGUYRKSA-N 0 1 373.446 0.032 20 30 FCEDMN N#CCSCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592680815 1285579832 /nfs/dbraw/zinc/57/98/32/1285579832.db2.gz ZZYADODSDXWBGN-LLVKDONJSA-N 0 1 373.446 0.128 20 30 FCEDMN N#Cc1ccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)cn1 ZINC001592691077 1285585360 /nfs/dbraw/zinc/58/53/60/1285585360.db2.gz FGDXTIATCAIWQJ-UHFFFAOYSA-N 0 1 358.325 0.966 20 30 FCEDMN N#Cc1ncc(N2CCc3c(nnn3-c3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001592708498 1285592545 /nfs/dbraw/zinc/59/25/45/1285592545.db2.gz VOEQTNAQQKJMBT-UHFFFAOYSA-N 0 1 371.368 0.672 20 30 FCEDMN N#Cc1ncc(NCCNC(=O)c2c(F)cccc2F)nc1-c1nn[nH]n1 ZINC001592710182 1285596645 /nfs/dbraw/zinc/59/66/45/1285596645.db2.gz IXTGRFFJXFPDBS-UHFFFAOYSA-N 0 1 371.311 0.648 20 30 FCEDMN O=C(C#CC1CC1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592766931 1285688152 /nfs/dbraw/zinc/68/81/52/1285688152.db2.gz WJBVCFJKUGSCSD-AWEZNQCLSA-N 0 1 366.429 0.675 20 30 FCEDMN O=C(C#CC1CC1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592766889 1285689308 /nfs/dbraw/zinc/68/93/08/1285689308.db2.gz VFVXJMIMYNPRHC-CQSZACIVSA-N 0 1 366.429 0.675 20 30 FCEDMN O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001592768078 1285690970 /nfs/dbraw/zinc/69/09/70/1285690970.db2.gz ZKDYVBAAUOYFOQ-UGSOOPFHSA-N 0 1 364.413 0.545 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592769350 1285694983 /nfs/dbraw/zinc/69/49/83/1285694983.db2.gz UFQXNURBPOIZDM-STQMWFEESA-N 0 1 352.402 0.331 20 30 FCEDMN Cc1nc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)ccc1C#N ZINC001600710722 1286530656 /nfs/dbraw/zinc/53/06/56/1286530656.db2.gz NPNLMVAQBDPQPW-LLVKDONJSA-N 0 1 359.386 0.208 20 30 FCEDMN N#Cc1c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cccc1C(=O)[O-] ZINC001601081420 1286628867 /nfs/dbraw/zinc/62/88/67/1286628867.db2.gz LFVHUTVTNHSCDB-UHFFFAOYSA-N 0 1 354.370 0.784 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001602713502 1287070814 /nfs/dbraw/zinc/07/08/14/1287070814.db2.gz GVUJZTBXOKEOBO-CYBMUJFWSA-N 0 1 355.435 0.816 20 30 FCEDMN C#CCNC(=O)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001602722513 1287077217 /nfs/dbraw/zinc/07/72/17/1287077217.db2.gz VRBHGMMODOJXIA-UHFFFAOYSA-N 0 1 369.385 0.736 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001602726153 1287086714 /nfs/dbraw/zinc/08/67/14/1287086714.db2.gz PPMLLQBSDBWXIL-ZDUSSCGKSA-N 0 1 357.418 0.585 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602727065 1287091389 /nfs/dbraw/zinc/09/13/89/1287091389.db2.gz KLDHFJSBIIDRIB-ZDUSSCGKSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602727122 1287092758 /nfs/dbraw/zinc/09/27/58/1287092758.db2.gz VBUHWXZEGSBJAL-KGLIPLIRSA-N 0 1 369.429 0.372 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001602737464 1287098866 /nfs/dbraw/zinc/09/88/66/1287098866.db2.gz SAPPPSVNQZVVMF-CYBMUJFWSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1ccc(C(=O)NCCCNc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1 ZINC001602740032 1287100934 /nfs/dbraw/zinc/10/09/34/1287100934.db2.gz VCAQBJKKMPRMLW-UHFFFAOYSA-N 0 1 362.397 0.600 20 30 FCEDMN C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@](C)(Cn2cccn2)C(=O)[O-])c1 ZINC001602742972 1287102525 /nfs/dbraw/zinc/10/25/25/1287102525.db2.gz FKWPFLUBCHTMOB-GOSISDBHSA-N 0 1 369.381 0.646 20 30 FCEDMN C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001602756268 1287104928 /nfs/dbraw/zinc/10/49/28/1287104928.db2.gz ISQGWEOYZHUIIL-AWEZNQCLSA-N 0 1 372.433 0.285 20 30 FCEDMN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001602753281 1287104976 /nfs/dbraw/zinc/10/49/76/1287104976.db2.gz NKOOFNQIVZRXQZ-AVGNSLFASA-N 0 1 372.433 0.509 20 30 FCEDMN C=C1CC(C)(C(=O)N(C)C[C@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602770721 1287110639 /nfs/dbraw/zinc/11/06/39/1287110639.db2.gz VINOCWCXVCUYPN-GFCCVEGCSA-N 0 1 372.433 0.269 20 30 FCEDMN C=C1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602770767 1287111115 /nfs/dbraw/zinc/11/11/15/1287111115.db2.gz VINOCWCXVCUYPN-LBPRGKRZSA-N 0 1 372.433 0.269 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001602791764 1287116479 /nfs/dbraw/zinc/11/64/79/1287116479.db2.gz APKNOXALUVPPIQ-YXPOGWMNSA-N 0 1 370.417 0.210 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602793964 1287118068 /nfs/dbraw/zinc/11/80/68/1287118068.db2.gz HGBVGZQHJJSHTN-SJKOYZFVSA-N 0 1 359.434 0.829 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602793965 1287118528 /nfs/dbraw/zinc/11/85/28/1287118528.db2.gz HGBVGZQHJJSHTN-YVEFUNNKSA-N 0 1 359.434 0.829 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602793476 1287118878 /nfs/dbraw/zinc/11/88/78/1287118878.db2.gz BQRYXHROMLFVPE-QGZVFWFLSA-N 0 1 372.433 0.534 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602793962 1287119375 /nfs/dbraw/zinc/11/93/75/1287119375.db2.gz HGBVGZQHJJSHTN-PXAZEXFGSA-N 0 1 359.434 0.829 20 30 FCEDMN C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001602803976 1287122298 /nfs/dbraw/zinc/12/22/98/1287122298.db2.gz QQTJBAAZBVQOJY-XNRPHZJLSA-N 0 1 371.445 0.838 20 30 FCEDMN C=CCCOCC(=O)N(CC)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602845149 1287134255 /nfs/dbraw/zinc/13/42/55/1287134255.db2.gz XCNVRMDVIFRLIL-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)n1 ZINC001707765256 1287138537 /nfs/dbraw/zinc/13/85/37/1287138537.db2.gz LBQAGDSNUAWFQU-GFCCVEGCSA-N 0 1 371.449 0.922 20 30 FCEDMN Cc1nnc(CCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)[nH]1 ZINC001707765256 1287138545 /nfs/dbraw/zinc/13/85/45/1287138545.db2.gz LBQAGDSNUAWFQU-GFCCVEGCSA-N 0 1 371.449 0.922 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602867218 1287141697 /nfs/dbraw/zinc/14/16/97/1287141697.db2.gz ZNTMTXYSNLPHDE-KGLIPLIRSA-N 0 1 371.445 0.783 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001602868955 1287143945 /nfs/dbraw/zinc/14/39/45/1287143945.db2.gz ZHIIWYIJAGPRCH-STQMWFEESA-N 0 1 370.417 0.429 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001602880456 1287147566 /nfs/dbraw/zinc/14/75/66/1287147566.db2.gz XJZWZCZOJZTBCA-GFCCVEGCSA-N 0 1 367.421 0.520 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001602879506 1287147823 /nfs/dbraw/zinc/14/78/23/1287147823.db2.gz ITYVMMZARYIOQO-VXGBXAGGSA-N 0 1 369.437 0.909 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001602879152 1287148043 /nfs/dbraw/zinc/14/80/43/1287148043.db2.gz MMVIASLWYPJDPT-LBPRGKRZSA-N 0 1 370.421 0.896 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001602982173 1287172816 /nfs/dbraw/zinc/17/28/16/1287172816.db2.gz PTHNTBZRVHTSAO-BDJLRTHQSA-N 0 1 353.390 0.245 20 30 FCEDMN COCC#CCN1CC=C(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001605036231 1287845334 /nfs/dbraw/zinc/84/53/34/1287845334.db2.gz FZRCOXTXEJWECV-UHFFFAOYSA-N 0 1 369.429 0.597 20 30 FCEDMN COCCN1CC[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001605104598 1287881368 /nfs/dbraw/zinc/88/13/68/1287881368.db2.gz HATXHUCKMGMCMC-HZPDHXFCSA-N 0 1 369.429 0.386 20 30 FCEDMN Cc1cc(NC2CCC(NC(=O)[C@@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605722549 1288061760 /nfs/dbraw/zinc/06/17/60/1288061760.db2.gz DVKIEEXEBJFARN-PKSQDBQZSA-N 0 1 354.418 0.991 20 30 FCEDMN Cc1cc(N[C@H]2CCCN(C(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605725544 1288062714 /nfs/dbraw/zinc/06/27/14/1288062714.db2.gz ZVOKEGDWAGSIIJ-AWEZNQCLSA-N 0 1 351.414 0.808 20 30 FCEDMN Cc1nc2sccn2c(=O)c1CCn1cnc(-c2nn[nH]n2)c1C#N ZINC001609455450 1289159425 /nfs/dbraw/zinc/15/94/25/1289159425.db2.gz XOVIJHMQCABTDI-UHFFFAOYSA-N 0 1 353.371 0.555 20 30 FCEDMN N#Cc1ncc(NCc2cnn(CC(F)(F)F)c2)nc1-c1nn[nH]n1 ZINC001606398121 1288286813 /nfs/dbraw/zinc/28/68/13/1288286813.db2.gz MXYURYBZMRUCLW-UHFFFAOYSA-N 0 1 350.268 0.899 20 30 FCEDMN COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H]1C(=O)[O-] ZINC001606431925 1288312885 /nfs/dbraw/zinc/31/28/85/1288312885.db2.gz WTILJJLGUDFDRV-VNQPRFMTSA-N 0 1 362.382 0.298 20 30 FCEDMN N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001608223493 1288793030 /nfs/dbraw/zinc/79/30/30/1288793030.db2.gz DHKHGRTUUZJMBZ-CQSZACIVSA-N 0 1 359.430 0.860 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001609059591 1288892489 /nfs/dbraw/zinc/89/24/89/1288892489.db2.gz ZJLZNPPARLUGNG-MFKMUULPSA-N 0 1 352.358 0.977 20 30 FCEDMN CC(=O)NCCc1ccc(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001609064102 1288895620 /nfs/dbraw/zinc/89/56/20/1288895620.db2.gz ZCUYZBIEGVKILD-UHFFFAOYSA-N 0 1 364.369 0.496 20 30 FCEDMN C[C@H](NC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N)c1ccc(F)cc1 ZINC001609119795 1288931562 /nfs/dbraw/zinc/93/15/62/1288931562.db2.gz KSAFRMGWUWRNJB-QMMMGPOBSA-N 0 1 355.337 0.534 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1cnn(C)c1 ZINC001691963742 1289350142 /nfs/dbraw/zinc/35/01/42/1289350142.db2.gz HWTRUTZGKBHJDH-UONOGXRCSA-N 0 1 351.426 0.354 20 30 FCEDMN COCCCNC(=O)CN1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C1 ZINC001692061647 1289381107 /nfs/dbraw/zinc/38/11/07/1289381107.db2.gz FHXFSNCOTDUODE-SJORKVTESA-N 0 1 363.502 0.969 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@@H]2C1 ZINC001692080999 1289387385 /nfs/dbraw/zinc/38/73/85/1289387385.db2.gz YSURSSHVPMDNLU-CABCVRRESA-N 0 1 357.458 0.983 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCN(C[C@H]2CCCS(=O)(=O)C2)[C@@H]1CC ZINC001692182296 1289420627 /nfs/dbraw/zinc/42/06/27/1289420627.db2.gz CSIXFFXSNGTSKK-IXDOHACOSA-N 0 1 370.515 0.820 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCc3ccncn3)C[C@@H]2C1 ZINC001692265058 1289439908 /nfs/dbraw/zinc/43/99/08/1289439908.db2.gz QAJGCUBQQDDHKG-BBWFWOEESA-N 0 1 369.469 0.327 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3ccn(C)c3C)C[C@@H]2C1 ZINC001692281236 1289441123 /nfs/dbraw/zinc/44/11/23/1289441123.db2.gz WXURDICDWPGQQA-BBWFWOEESA-N 0 1 356.470 0.865 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCc3cnccn3)C[C@@H]2C1 ZINC001692286922 1289444931 /nfs/dbraw/zinc/44/49/31/1289444931.db2.gz WBRAHWOUATZKEZ-CVEARBPZSA-N 0 1 357.458 0.492 20 30 FCEDMN 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C=CCCC(=O)N1C[C@@H](N[C@H]2CCN(CC=C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129667214 1201364593 /nfs/dbraw/zinc/36/45/93/1201364593.db2.gz RKUQXQPGIGRHEI-XHSDSOJGSA-N 0 1 358.446 0.373 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)CCC)C[C@@H]1n1ccnn1 ZINC001129671694 1201365334 /nfs/dbraw/zinc/36/53/34/1201365334.db2.gz WUCKFYHVJWHSRN-OAGGEKHMSA-N 0 1 360.462 0.195 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](NCC(=O)NC(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129677321 1201374436 /nfs/dbraw/zinc/37/44/36/1201374436.db2.gz DYNARYBZAOXBKB-CVEARBPZSA-N 0 1 362.478 0.891 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@@H]1n1ccnn1 ZINC001129717179 1201376082 /nfs/dbraw/zinc/37/60/82/1201376082.db2.gz HUCSPKHBOFPSPO-JJCGBMNWSA-N 0 1 358.446 0.277 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@@H]1n1ccnn1 ZINC001129737846 1201381595 /nfs/dbraw/zinc/38/15/95/1201381595.db2.gz UYBOVTKVYVABEP-MJBXVCDLSA-N 0 1 362.409 0.021 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1n1ccnn1 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/nfs/dbraw/zinc/40/66/95/1201406695.db2.gz SKZRDTCISNHCKG-XHSDSOJGSA-N 0 1 353.430 0.486 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(CC)n2)[C@@H](n2ccnn2)C1 ZINC001129834573 1201409765 /nfs/dbraw/zinc/40/97/65/1201409765.db2.gz ZRMYAIBZPLSBKE-ZNMIVQPWSA-N 0 1 370.461 0.865 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](NCc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129837785 1201410742 /nfs/dbraw/zinc/41/07/42/1201410742.db2.gz LNWWNZBLHQZGQI-MSOLQXFVSA-N 0 1 371.416 0.999 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc(C)nc2OC)C[C@@H]1n1ccnn1 ZINC001129892237 1201416405 /nfs/dbraw/zinc/41/64/05/1201416405.db2.gz NZKNPUHCQRSKOH-CABCVRRESA-N 0 1 355.402 0.064 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)Cn2ccc(C)n2)C[C@@H]1n1ccnn1 ZINC001129867644 1201416842 /nfs/dbraw/zinc/41/68/42/1201416842.db2.gz VTUACKNYFXDAEX-OIISXLGYSA-N 0 1 355.446 0.484 20 30 FCEDMN C=CCC(CC=C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129867813 1201416994 /nfs/dbraw/zinc/41/69/94/1201416994.db2.gz XYIGMCHLFRNPNO-CVEARBPZSA-N 0 1 371.445 0.028 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@@H]1n1ccnn1 ZINC001129906868 1201421786 /nfs/dbraw/zinc/42/17/86/1201421786.db2.gz DOBYEXXVSBKOBC-ZACQAIPSSA-N 0 1 357.458 0.850 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129906995 1201421820 /nfs/dbraw/zinc/42/18/20/1201421820.db2.gz KOCNNEQZYRNDBD-CVEARBPZSA-N 0 1 358.402 0.156 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129910227 1201422298 /nfs/dbraw/zinc/42/22/98/1201422298.db2.gz JSPUZLZHOBXRMT-ZNMIVQPWSA-N 0 1 360.462 0.051 20 30 FCEDMN C#C[C@](C)(N)C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219896546 1224672484 /nfs/dbraw/zinc/67/24/84/1224672484.db2.gz XUFZXGUKJUBGCK-BEFAXECRSA-N 0 1 353.426 0.069 20 30 FCEDMN CCc1cccnc1C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129921021 1201442537 /nfs/dbraw/zinc/44/25/37/1201442537.db2.gz LDSHXBMOLBKBMP-SJORKVTESA-N 0 1 368.441 0.541 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)C[C@@H]1n1ccnn1 ZINC001129949336 1201447456 /nfs/dbraw/zinc/44/74/56/1201447456.db2.gz XVJSWHWHWBWHNF-CABCVRRESA-N 0 1 371.445 0.782 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@H](OC)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129952140 1201447983 /nfs/dbraw/zinc/44/79/83/1201447983.db2.gz JQDIPLCIQUNHQL-IXDOHACOSA-N 0 1 361.446 0.085 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H](OCC)C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129954403 1201449134 /nfs/dbraw/zinc/44/91/34/1201449134.db2.gz LVPJIGOUQGHGEW-IXDOHACOSA-N 0 1 361.446 0.085 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@@H]1n1ccnn1 ZINC001129956638 1201450261 /nfs/dbraw/zinc/45/02/61/1201450261.db2.gz MKYKZKVUKXZXQB-SJORKVTESA-N 0 1 368.441 0.285 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129964156 1201453086 /nfs/dbraw/zinc/45/30/86/1201453086.db2.gz YVXMVRLYVKCUAD-CABCVRRESA-N 0 1 360.462 0.358 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129963995 1201453330 /nfs/dbraw/zinc/45/33/30/1201453330.db2.gz QMLPGPPVWRBFEC-CABCVRRESA-N 0 1 362.478 0.700 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@@H]1n1ccnn1 ZINC001129945478 1201453913 /nfs/dbraw/zinc/45/39/13/1201453913.db2.gz NVNZVKUXPJGLNT-SJORKVTESA-N 0 1 369.425 0.665 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@@H]1n1ccnn1 ZINC001129966211 1201455349 /nfs/dbraw/zinc/45/53/49/1201455349.db2.gz HBWGHIWHAGACHY-PDHGXYMESA-N 0 1 370.457 0.280 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129978089 1201460390 /nfs/dbraw/zinc/46/03/90/1201460390.db2.gz QEQQOVXYXLOCSW-OAGGEKHMSA-N 0 1 362.478 0.700 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1 ZINC001129983319 1201462977 /nfs/dbraw/zinc/46/29/77/1201462977.db2.gz XDPVMCJLWRUJMC-QGTPRVQTSA-N 0 1 367.457 0.497 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1 ZINC001129983318 1201463194 /nfs/dbraw/zinc/46/31/94/1201463194.db2.gz XDPVMCJLWRUJMC-OLMNPRSZSA-N 0 1 367.457 0.497 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(CC)CC2)C[C@@H]1n1ccnn1 ZINC001129995790 1201465175 /nfs/dbraw/zinc/46/51/75/1201465175.db2.gz JHPBHGFDJUVCMT-KFWWJZLASA-N 0 1 360.462 0.501 20 30 FCEDMN CCc1nocc1C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129995789 1201465195 /nfs/dbraw/zinc/46/51/95/1201465195.db2.gz JEJKNBCRSGEJPG-CVEARBPZSA-N 0 1 358.402 0.134 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129986654 1201468270 /nfs/dbraw/zinc/46/82/70/1201468270.db2.gz HUJLGVSFJCFUBY-CVEARBPZSA-N 0 1 360.462 0.502 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@@H]1n1ccnn1 ZINC001129990009 1201469816 /nfs/dbraw/zinc/46/98/16/1201469816.db2.gz HGUAAQPKPSJEFU-CABCVRRESA-N 0 1 358.446 0.278 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@@H]1n1ccnn1 ZINC001130022506 1201474479 /nfs/dbraw/zinc/47/44/79/1201474479.db2.gz CFIDFSSQCYQKMO-ZNMIVQPWSA-N 0 1 358.446 0.112 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2Cc3ccncc3C2)C[C@@H]1n1ccnn1 ZINC001130007725 1201477077 /nfs/dbraw/zinc/47/70/77/1201477077.db2.gz SKOWBMGGWXLSEY-JQHSSLGASA-N 0 1 350.426 0.453 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H]1n1ccnn1 ZINC001130024604 1201478929 /nfs/dbraw/zinc/47/89/29/1201478929.db2.gz YJOCOGMZGWEVFS-RYRKJORJSA-N 0 1 369.400 0.786 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@@H]1n1ccnn1 ZINC001130032565 1201481659 /nfs/dbraw/zinc/48/16/59/1201481659.db2.gz HTGIGXCDQDKURK-ZBFHGGJFSA-N 0 1 370.413 0.449 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130043893 1201484865 /nfs/dbraw/zinc/48/48/65/1201484865.db2.gz FMIVEWLKLAZFSR-CVEARBPZSA-N 0 1 369.473 0.988 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1 ZINC001130043917 1201484978 /nfs/dbraw/zinc/48/49/78/1201484978.db2.gz GYCLQXOYVFOJNM-WQVCFCJDSA-N 0 1 355.446 0.787 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@@H]1n1ccnn1 ZINC001130084091 1201494335 /nfs/dbraw/zinc/49/43/35/1201494335.db2.gz ZGESXMHWEQMVQL-SJORKVTESA-N 0 1 370.461 0.332 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)Oc2ccccn2)C[C@@H]1n1ccnn1 ZINC001130089015 1201497425 /nfs/dbraw/zinc/49/74/25/1201497425.db2.gz UQJUUIMRPRIODP-XHSDSOJGSA-N 0 1 354.414 0.505 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@@H]1n1ccnn1 ZINC001130102021 1201499182 /nfs/dbraw/zinc/49/91/82/1201499182.db2.gz CRJVBFROCCEDHN-CVEARBPZSA-N 0 1 369.425 0.974 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CO[C@H](C)c2nccn2C)C[C@@H]1n1ccnn1 ZINC001130110138 1201503507 /nfs/dbraw/zinc/50/35/07/1201503507.db2.gz WXSKRQLJWNNIJD-OAGGEKHMSA-N 0 1 371.445 0.154 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H](C)COc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130125270 1201506556 /nfs/dbraw/zinc/50/65/56/1201506556.db2.gz FLLSKQPYXYRUCQ-NXHRZFHOSA-N 0 1 353.426 0.968 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)OC)C[C@@H]1n1ccnn1 ZINC001130127630 1201507088 /nfs/dbraw/zinc/50/70/88/1201507088.db2.gz 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/nfs/dbraw/zinc/72/69/73/1271726973.db2.gz VCJYCRBZEVZGML-CQSZACIVSA-N 0 1 372.433 0.326 20 30 FCEDMN CC#CCCCC(=O)N(Cc1c[nH]nn1)C1CCN([C@H](C)C(N)=O)CC1 ZINC001575117896 1271732008 /nfs/dbraw/zinc/73/20/08/1271732008.db2.gz SFFHYTBSCPTDLR-CQSZACIVSA-N 0 1 360.462 0.665 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc([C@H]2CCOC2)n1CCOCC ZINC001575121510 1271732064 /nfs/dbraw/zinc/73/20/64/1271732064.db2.gz HWDSRGPLFFTYJL-AWEZNQCLSA-N 0 1 359.434 0.967 20 30 FCEDMN CC(C)(C)OC(=O)CN1CCC(NC(=O)N[C@H]2CNC[C@@H]2C#N)CC1 ZINC001575160004 1271756238 /nfs/dbraw/zinc/75/62/38/1271756238.db2.gz BWTCBEZRLQGXLR-JSGCOSHPSA-N 0 1 351.451 0.203 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001575175569 1271763940 /nfs/dbraw/zinc/76/39/40/1271763940.db2.gz BPOJYMRJBXWROM-CXAGYDPISA-N 0 1 362.434 0.147 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001575175532 1271763982 /nfs/dbraw/zinc/76/39/82/1271763982.db2.gz AWQNNBMCRLKJMC-YXWQFLTLSA-N 0 1 373.461 0.472 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(OCc2c[nH]nn2)cc1 ZINC001575176848 1271765391 /nfs/dbraw/zinc/76/53/91/1271765391.db2.gz IEYVHBJDZDHLNT-GFCCVEGCSA-N 0 1 356.386 0.732 20 30 FCEDMN C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001575177369 1271765686 /nfs/dbraw/zinc/76/56/86/1271765686.db2.gz KTAIUZHTRWMBFC-CYBMUJFWSA-N 0 1 354.414 0.697 20 30 FCEDMN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(Cc3c[nH]nn3)CCCCC2)C1 ZINC001575179794 1271770203 /nfs/dbraw/zinc/77/02/03/1271770203.db2.gz WWAQUMUNDRRXPG-ZDUSSCGKSA-N 0 1 374.445 0.147 20 30 FCEDMN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(Cc3cnn[nH]3)CCCCC2)C1 ZINC001575179794 1271770206 /nfs/dbraw/zinc/77/02/06/1271770206.db2.gz WWAQUMUNDRRXPG-ZDUSSCGKSA-N 0 1 374.445 0.147 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCc2c[nH]nn2)CCO1 ZINC001575246184 1271851471 /nfs/dbraw/zinc/85/14/71/1271851471.db2.gz LGDBMAIGJWOLSU-HNNXBMFYSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCc2cnn[nH]2)CCO1 ZINC001575246184 1271851481 /nfs/dbraw/zinc/85/14/81/1271851481.db2.gz LGDBMAIGJWOLSU-HNNXBMFYSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)C#CC(=O)NCCC1(CNC(=O)[C@H](C)OCc2c[nH]nn2)CC1 ZINC001575317686 1271915511 /nfs/dbraw/zinc/91/55/11/1271915511.db2.gz COJBCYCLVWCXKP-AWEZNQCLSA-N 0 1 361.446 0.772 20 30 FCEDMN CC(C)C#CC(=O)N1CCCC2(CN(C(=O)CCOCc3c[nH]nn3)C2)C1 ZINC001575318987 1271917329 /nfs/dbraw/zinc/91/73/29/1271917329.db2.gz UZDMRGZDQICOJO-UHFFFAOYSA-N 0 1 373.457 0.822 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)CC1(C)C ZINC001575318785 1271917364 /nfs/dbraw/zinc/91/73/64/1271917364.db2.gz QLSARWCZFFRWSF-OAHLLOKOSA-N 0 1 361.446 0.724 20 30 FCEDMN CC(C)C#CC(=O)NCCCN(C(=O)CCOCc1c[nH]nn1)C1CC1 ZINC001575318668 1271917930 /nfs/dbraw/zinc/91/79/30/1271917930.db2.gz NUGNAWNTJJFAIK-UHFFFAOYSA-N 0 1 361.446 0.868 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575318620 1271918053 /nfs/dbraw/zinc/91/80/53/1271918053.db2.gz NHKAUKQCBHWGED-CQSZACIVSA-N 0 1 352.398 0.857 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575318890 1271920102 /nfs/dbraw/zinc/92/01/02/1271920102.db2.gz SEDWRTWRJCEVFV-OAHLLOKOSA-N 0 1 369.425 0.267 20 30 FCEDMN CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCCc1c[nH]nn1 ZINC001575359541 1271995181 /nfs/dbraw/zinc/99/51/81/1271995181.db2.gz AOVOFVWGJBNZBD-AWEZNQCLSA-N 0 1 356.434 0.854 20 30 FCEDMN CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCCc1cnn[nH]1 ZINC001575359541 1271995188 /nfs/dbraw/zinc/99/51/88/1271995188.db2.gz AOVOFVWGJBNZBD-AWEZNQCLSA-N 0 1 356.434 0.854 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H](C)CCCNc1cncc(C#N)n1 ZINC001575529739 1272180801 /nfs/dbraw/zinc/18/08/01/1272180801.db2.gz MQHKVNLMGMQZLE-NWDGAFQWSA-N 0 1 358.406 0.768 20 30 FCEDMN C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001575538778 1272185329 /nfs/dbraw/zinc/18/53/29/1272185329.db2.gz AWURVTYKTWZIRH-GHMZBOCLSA-N 0 1 359.390 0.234 20 30 FCEDMN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575602111 1272226525 /nfs/dbraw/zinc/22/65/25/1272226525.db2.gz JXLZAXSKAHWJOX-JTQLQIEISA-N 0 1 364.369 0.615 20 30 FCEDMN C[C@@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)N(C)C(=O)C#CC1CC1 ZINC001575600871 1272227189 /nfs/dbraw/zinc/22/71/89/1272227189.db2.gz FXLKAEJDNYWOHF-LBPRGKRZSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)CCCNC(=O)c1ccc(C#N)[nH]1 ZINC001575728847 1272396492 /nfs/dbraw/zinc/39/64/92/1272396492.db2.gz MNLTVWRNMDZUAV-LLVKDONJSA-N 0 1 359.390 0.188 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001575740739 1272410447 /nfs/dbraw/zinc/41/04/47/1272410447.db2.gz GASHHAXGPXIKLJ-NVXWUHKLSA-N 0 1 353.426 0.952 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001575833729 1272500237 /nfs/dbraw/zinc/50/02/37/1272500237.db2.gz AAKFRJBCKUFCHV-DUVNUKRYSA-N 0 1 357.414 0.183 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575841074 1272510910 /nfs/dbraw/zinc/51/09/10/1272510910.db2.gz SJBODDZNXNXSSZ-WDEREUQCSA-N 0 1 371.401 0.186 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C ZINC001575880455 1272545053 /nfs/dbraw/zinc/54/50/53/1272545053.db2.gz VHKGEFFDGCHXDW-FRRDWIJNSA-N 0 1 370.417 0.260 20 30 FCEDMN CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)CCCc1c[nH]nn1 ZINC001575962717 1272613680 /nfs/dbraw/zinc/61/36/80/1272613680.db2.gz KKOUNBXMQNLKRM-AWEZNQCLSA-N 0 1 354.418 0.820 20 30 FCEDMN CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)CCCc1cnn[nH]1 ZINC001575962717 1272613682 /nfs/dbraw/zinc/61/36/82/1272613682.db2.gz KKOUNBXMQNLKRM-AWEZNQCLSA-N 0 1 354.418 0.820 20 30 FCEDMN C[C@@]1(CNC(=O)CCCc2c[nH]nn2)CN(c2nccnc2C#N)CCO1 ZINC001575980272 1272638715 /nfs/dbraw/zinc/63/87/15/1272638715.db2.gz QLKHSHCDGLGGJD-QGZVFWFLSA-N 0 1 370.417 0.201 20 30 FCEDMN C[C@@]1(CNC(=O)CCCc2cnn[nH]2)CN(c2nccnc2C#N)CCO1 ZINC001575980272 1272638725 /nfs/dbraw/zinc/63/87/25/1272638725.db2.gz QLKHSHCDGLGGJD-QGZVFWFLSA-N 0 1 370.417 0.201 20 30 FCEDMN C[C@@]1(NC(=O)CCOCc2c[nH]nn2)CCN(c2ccc(C#N)nn2)C1 ZINC001575999602 1272677513 /nfs/dbraw/zinc/67/75/13/1272677513.db2.gz QBDFCSPARXFYBC-MRXNPFEDSA-N 0 1 356.390 0.158 20 30 FCEDMN C[C@@]1(NC(=O)CCOCc2c[nH]nn2)CCN(c2ccc(C#N)cn2)C1 ZINC001576000177 1272679715 /nfs/dbraw/zinc/67/97/15/1272679715.db2.gz UWTAGJWERZXLMV-QGZVFWFLSA-N 0 1 355.402 0.763 20 30 FCEDMN C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576026755 1272730273 /nfs/dbraw/zinc/73/02/73/1272730273.db2.gz MFTNJXFWYKHSLT-SMDDNHRTSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576049305 1272777917 /nfs/dbraw/zinc/77/79/17/1272777917.db2.gz ZYAONWDQHGLRBX-YPMHNXCESA-N 0 1 371.401 0.331 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)CCCc2c[nH]nn2)C1)C(=O)CSCC#N ZINC001576780268 1273667238 /nfs/dbraw/zinc/66/72/38/1273667238.db2.gz KATYCWOUGKXARS-ZDUSSCGKSA-N 0 1 364.475 0.691 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)CCCc2cnn[nH]2)C1)C(=O)CSCC#N ZINC001576780268 1273667242 /nfs/dbraw/zinc/66/72/42/1273667242.db2.gz KATYCWOUGKXARS-ZDUSSCGKSA-N 0 1 364.475 0.691 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)CCCc1c[nH]nn1 ZINC001576782949 1273670839 /nfs/dbraw/zinc/67/08/39/1273670839.db2.gz MXUGDNAHAXHPAF-ZDUSSCGKSA-N 0 1 369.429 0.948 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)CCCc1cnn[nH]1 ZINC001576782949 1273670854 /nfs/dbraw/zinc/67/08/54/1273670854.db2.gz MXUGDNAHAXHPAF-ZDUSSCGKSA-N 0 1 369.429 0.948 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1C(=O)CCCCc1cn[nH]n1 ZINC001577183867 1274234454 /nfs/dbraw/zinc/23/44/54/1274234454.db2.gz XJFZKAOSFQIBPQ-OCCSQVGLSA-N 0 1 364.475 0.880 20 30 FCEDMN Cc1cc(C#N)nc(NCCCN(C)C(=O)[C@@H](C)OCc2c[nH]nn2)n1 ZINC001577256296 1274283468 /nfs/dbraw/zinc/28/34/68/1274283468.db2.gz LQYRGWUYEXDHKX-GFCCVEGCSA-N 0 1 358.406 0.641 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H](C)OCc3c[nH]nn3)C2)n1 ZINC001577256441 1274285610 /nfs/dbraw/zinc/28/56/10/1274285610.db2.gz QDASWCVKEOHBOV-NWDGAFQWSA-N 0 1 356.390 0.075 20 30 FCEDMN Cc1nc(N2CCN(C(=O)[C@@H](C)OCc3c[nH]nn3)CC2)ccc1C#N ZINC001577557797 1274500992 /nfs/dbraw/zinc/50/09/92/1274500992.db2.gz RRHBSGXFURKZFT-CYBMUJFWSA-N 0 1 355.402 0.634 20 30 FCEDMN Cc1nonc1CN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](C)C#N)CC1 ZINC001577625665 1274607914 /nfs/dbraw/zinc/60/79/14/1274607914.db2.gz QFZUWGRZYFJZAB-NSHDSACASA-N 0 1 358.406 0.649 20 30 FCEDMN N#CCN1CC[C@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)CC[C@@H]21 ZINC001577706924 1274767141 /nfs/dbraw/zinc/76/71/41/1274767141.db2.gz YSVDKXDYWMDYJJ-RDJZCZTQSA-N 0 1 357.462 0.463 20 30 FCEDMN N#CCN1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1-c1cn[nH]n1)CO2 ZINC001577706413 1274767176 /nfs/dbraw/zinc/76/71/76/1274767176.db2.gz GGDPTKPULUNYRF-CQSZACIVSA-N 0 1 352.398 0.497 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(Cc3c[nH]nn3)C2)c1 ZINC001577710002 1274769528 /nfs/dbraw/zinc/76/95/28/1274769528.db2.gz LSBUHQYBRWQWEC-QEWYBTABSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)CCCc3c[nH]nn3)C2)c1 ZINC001577710199 1274771721 /nfs/dbraw/zinc/77/17/21/1274771721.db2.gz RTHNUKUBPHGPDO-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)CCCc3cnn[nH]3)C2)c1 ZINC001577710199 1274771735 /nfs/dbraw/zinc/77/17/35/1274771735.db2.gz RTHNUKUBPHGPDO-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCN(C(=O)C3(Cc4c[nH]nn4)CCC3)CC2)[nH]1 ZINC001577712154 1274772501 /nfs/dbraw/zinc/77/25/01/1274772501.db2.gz BZYREWNEFUJJHV-UHFFFAOYSA-N 0 1 367.413 0.702 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCN(C(=O)C3(Cc4cnn[nH]4)CCC3)CC2)[nH]1 ZINC001577712154 1274772508 /nfs/dbraw/zinc/77/25/08/1274772508.db2.gz BZYREWNEFUJJHV-UHFFFAOYSA-N 0 1 367.413 0.702 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H](CNC(=O)CCCc2c[nH]nn2)C2CC2)c[nH]1 ZINC001577712603 1274773553 /nfs/dbraw/zinc/77/35/53/1274773553.db2.gz RVMKWDXICBQMBN-HNNXBMFYSA-N 0 1 355.402 0.652 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H](CNC(=O)CCCc2cnn[nH]2)C2CC2)c[nH]1 ZINC001577712603 1274773566 /nfs/dbraw/zinc/77/35/66/1274773566.db2.gz RVMKWDXICBQMBN-HNNXBMFYSA-N 0 1 355.402 0.652 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)c1 ZINC001577712605 1274774147 /nfs/dbraw/zinc/77/41/47/1274774147.db2.gz RWSNUPOAZDMENO-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)CCCc2cnn[nH]2)c1 ZINC001577712605 1274774158 /nfs/dbraw/zinc/77/41/58/1274774158.db2.gz RWSNUPOAZDMENO-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@H]2CN(Cc3c[nH]nn3)CC3(CCOCC3)C2)[nH]1 ZINC001577712393 1274774751 /nfs/dbraw/zinc/77/47/51/1274774751.db2.gz LGTRVRBLSACUOR-CQSZACIVSA-N 0 1 369.429 0.806 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)[nH]1 ZINC001577712594 1274775166 /nfs/dbraw/zinc/77/51/66/1274775166.db2.gz RPORRJKCWMSCDZ-ZDUSSCGKSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)[nH]1 ZINC001577712594 1274775174 /nfs/dbraw/zinc/77/51/74/1274775174.db2.gz RPORRJKCWMSCDZ-ZDUSSCGKSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1nccc(N[C@H]2CCN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C2)n1 ZINC001577719083 1274783147 /nfs/dbraw/zinc/78/31/47/1274783147.db2.gz IDDRDFARWPFZFQ-LBPRGKRZSA-N 0 1 361.369 0.277 20 30 FCEDMN N#Cc1nccnc1NCC=CCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577721500 1274787772 /nfs/dbraw/zinc/78/77/72/1274787772.db2.gz LVCPWTUKGQNACK-YLSAJCSVSA-N 0 1 367.417 0.215 20 30 FCEDMN O=C(C#CC1CC1)N1CCC(N(Cc2c[nH]nn2)C(=O)C(F)F)CC1 ZINC001577743075 1274820081 /nfs/dbraw/zinc/82/00/81/1274820081.db2.gz PCBPVGHDAQLYHE-UHFFFAOYSA-N 0 1 351.357 0.803 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H]2[C@@H](CCN2C(=O)CCCc2c[nH]nn2)C1 ZINC001577746181 1274821590 /nfs/dbraw/zinc/82/15/90/1274821590.db2.gz RBJCFLFLLFSCSV-RDJZCZTQSA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H]2[C@@H](CCN2C(=O)CCCc2cnn[nH]2)C1 ZINC001577746181 1274821600 /nfs/dbraw/zinc/82/16/00/1274821600.db2.gz RBJCFLFLLFSCSV-RDJZCZTQSA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)NC1(CCO)CN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001577746315 1274821972 /nfs/dbraw/zinc/82/19/72/1274821972.db2.gz VSCVCIMDTMPFNS-UHFFFAOYSA-N 0 1 373.457 0.401 20 30 FCEDMN O=C(C#CC1CC1)N1CC(CCO)(NC(=O)CCCCc2cn[nH]n2)C1 ZINC001577812601 1274918218 /nfs/dbraw/zinc/91/82/18/1274918218.db2.gz POXZUQNWNUFKDA-UHFFFAOYSA-N 0 1 359.430 0.011 20 30 FCEDMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001577868367 1275050049 /nfs/dbraw/zinc/05/00/49/1275050049.db2.gz QXMRWFDDNUCXHJ-MSOLQXFVSA-N 0 1 371.416 0.480 20 30 FCEDMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001577868367 1275050054 /nfs/dbraw/zinc/05/00/54/1275050054.db2.gz QXMRWFDDNUCXHJ-MSOLQXFVSA-N 0 1 371.416 0.480 20 30 FCEDMN CCN(CC(=O)N1CCCCCC1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001577874384 1275066278 /nfs/dbraw/zinc/06/62/78/1275066278.db2.gz SCNYBVBLPDIPHG-UHFFFAOYSA-N 0 1 355.406 0.757 20 30 FCEDMN CCN(CCNC(=O)[C@@H](C)C#N)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001577924111 1275133985 /nfs/dbraw/zinc/13/39/85/1275133985.db2.gz TXSAZYNQFQNRKS-LBPRGKRZSA-N 0 1 357.418 0.973 20 30 FCEDMN COC(=O)C1(C#N)CCN(C(=O)Cn2c(CN)nc3ccccc32)CC1 ZINC001578777536 1276260411 /nfs/dbraw/zinc/26/04/11/1276260411.db2.gz LQGYITFBFLXEJI-UHFFFAOYSA-N 0 1 355.398 0.800 20 30 FCEDMN CN(C[C@@H](O)COCc1ccccc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579063207 1276671547 /nfs/dbraw/zinc/67/15/47/1276671547.db2.gz VATBYBAVTOWSCV-CYBMUJFWSA-N 0 1 366.385 0.542 20 30 FCEDMN COCc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H]1CNC[C@@H]1C#N ZINC001579091536 1276727530 /nfs/dbraw/zinc/72/75/30/1276727530.db2.gz SZCFJSIECITLGT-STQMWFEESA-N 0 1 353.400 0.009 20 30 FCEDMN CN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579192343 1276966080 /nfs/dbraw/zinc/96/60/80/1276966080.db2.gz XKCPHOBWPWDHNV-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN CN(Cc1ccc2c(c1)OCCO2)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579253290 1277051232 /nfs/dbraw/zinc/05/12/32/1277051232.db2.gz LIUZYVBGPKTHCL-UHFFFAOYSA-N 0 1 350.342 0.936 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001579286988 1277109962 /nfs/dbraw/zinc/10/99/62/1277109962.db2.gz QXIQTHJEEOANDQ-SNVBAGLBSA-N 0 1 371.405 0.974 20 30 FCEDMN C[NH+]1CCC(n2cc(Nc3cnc(C#N)c(-c4nn[n-]n4)n3)cn2)CC1 ZINC001579352029 1277209368 /nfs/dbraw/zinc/20/93/68/1277209368.db2.gz YOFARMOSVIDYCH-UHFFFAOYSA-N 0 1 351.378 0.735 20 30 FCEDMN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579433673 1277301824 /nfs/dbraw/zinc/30/18/24/1277301824.db2.gz MIOCCDRZTRQDAO-UWVGGRQHSA-N 0 1 358.362 0.299 20 30 FCEDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC001579433959 1277303685 /nfs/dbraw/zinc/30/36/85/1277303685.db2.gz ATDMVVYGEZAWMO-XJFOESAGSA-N 0 1 351.451 0.900 20 30 FCEDMN COCCN(CCNC(=O)[C@H](C)C#N)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579793296 1277914971 /nfs/dbraw/zinc/91/49/71/1277914971.db2.gz RMYDKVYMONJIIN-CYBMUJFWSA-N 0 1 357.418 0.591 20 30 FCEDMN COCCN(CCNC(=O)[C@@H](C)C#N)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579793671 1277915579 /nfs/dbraw/zinc/91/55/79/1277915579.db2.gz XGJBGVSSJFYDCR-NSHDSACASA-N 0 1 358.406 0.299 20 30 FCEDMN CS(=O)(=O)C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)c1ccccc1 ZINC001580158659 1278021806 /nfs/dbraw/zinc/02/18/06/1278021806.db2.gz MVOQTJWXGIAFGM-LBPRGKRZSA-N 0 1 370.398 0.726 20 30 FCEDMN Cc1cc(NCC2(NC(=O)[C@@H](C)C#N)CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581019300 1279249524 /nfs/dbraw/zinc/24/95/24/1279249524.db2.gz UXMGWLBUFFMIMM-NSHDSACASA-N 0 1 370.417 0.229 20 30 FCEDMN Cn1ncc(Br)c1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001581824838 1280570406 /nfs/dbraw/zinc/57/04/06/1280570406.db2.gz LRZUJDBHVBNBJR-UHFFFAOYSA-N 0 1 361.167 0.636 20 30 FCEDMN N#Cc1cccc([C@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)c1 ZINC001581875136 1280630217 /nfs/dbraw/zinc/63/02/17/1280630217.db2.gz WZNGLRNZFLYFNA-CQSZACIVSA-N 0 1 359.353 0.978 20 30 FCEDMN N#Cc1ncc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)nc1-c1nn[nH]n1 ZINC001581881859 1280640933 /nfs/dbraw/zinc/64/09/33/1280640933.db2.gz CQYUUYARQXCPRF-PXAZEXFGSA-N 0 1 366.360 0.833 20 30 FCEDMN N#Cc1ncc(N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)nc1-c1nn[nH]n1 ZINC001581882906 1280643956 /nfs/dbraw/zinc/64/39/56/1280643956.db2.gz LHGHGHKCDHAGDZ-JTQLQIEISA-N 0 1 369.776 0.690 20 30 FCEDMN N#Cc1ncc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001581882867 1280644974 /nfs/dbraw/zinc/64/49/74/1280644974.db2.gz KEMADSRBVUVWKA-LLVKDONJSA-N 0 1 355.406 0.441 20 30 FCEDMN N#Cc1ncc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)nc1-c1nn[nH]n1 ZINC001581883397 1280646884 /nfs/dbraw/zinc/64/68/84/1280646884.db2.gz YKLSFYWUYMWMFI-CMPLNLGQSA-N 0 1 368.357 0.450 20 30 FCEDMN N#Cc1ncc(NCC[C@@H](O)COCc2ccccc2)nc1-c1nn[nH]n1 ZINC001581883977 1280651304 /nfs/dbraw/zinc/65/13/04/1280651304.db2.gz FQWKKSMUNROWNL-CYBMUJFWSA-N 0 1 366.385 0.908 20 30 FCEDMN C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603921736 1287538868 /nfs/dbraw/zinc/53/88/68/1287538868.db2.gz UWWRYTVNZZTVKQ-WCQYABFASA-N 0 1 372.458 0.589 20 30 FCEDMN C#CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 ZINC001588333217 1282425028 /nfs/dbraw/zinc/42/50/28/1282425028.db2.gz HAUAVVJISNTGRF-UHFFFAOYSA-N 0 1 362.371 0.999 20 30 FCEDMN C#CCC1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC001588335743 1282427922 /nfs/dbraw/zinc/42/79/22/1282427922.db2.gz WEEUSWCMYNOLBC-UHFFFAOYSA-N 0 1 374.426 0.680 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588338236 1282430908 /nfs/dbraw/zinc/43/09/08/1282430908.db2.gz IJPJTDMSEQMLSS-GDBMZVCRSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588338466 1282430977 /nfs/dbraw/zinc/43/09/77/1282430977.db2.gz LOEUVGALCXGDHT-OLZOCXBDSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338318 1282431047 /nfs/dbraw/zinc/43/10/47/1282431047.db2.gz JOJWBOVCTYJQBK-QWHCGFSZSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338316 1282431132 /nfs/dbraw/zinc/43/11/32/1282431132.db2.gz JOJWBOVCTYJQBK-OLZOCXBDSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588338903 1282432158 /nfs/dbraw/zinc/43/21/58/1282432158.db2.gz IYBYFVPFOJSCHK-CYBMUJFWSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588338906 1282433363 /nfs/dbraw/zinc/43/33/63/1282433363.db2.gz IYBYFVPFOJSCHK-ZDUSSCGKSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCCC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588341354 1282436307 /nfs/dbraw/zinc/43/63/07/1282436307.db2.gz FHVHWHIZWMADQH-UHFFFAOYSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCCCCC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588342414 1282439041 /nfs/dbraw/zinc/43/90/41/1282439041.db2.gz YLFVVLZNHWHQEX-ZDUSSCGKSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCCCCCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344671 1282439896 /nfs/dbraw/zinc/43/98/96/1282439896.db2.gz ZKLXEUIQFKPGLT-UONOGXRCSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344401 1282440203 /nfs/dbraw/zinc/44/02/03/1282440203.db2.gz OMYBFYSJUAJCPW-CQSZACIVSA-N 0 1 368.445 0.923 20 30 FCEDMN N#CCCN1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC001635905999 1282440851 /nfs/dbraw/zinc/44/08/51/1282440851.db2.gz SUUCXMJKGXKYMP-UHFFFAOYSA-N 0 1 354.414 0.741 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588349330 1282441457 /nfs/dbraw/zinc/44/14/57/1282441457.db2.gz MWQKWMFHDIMJKL-UHFFFAOYSA-N 0 1 368.850 0.754 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588349330 1282441461 /nfs/dbraw/zinc/44/14/61/1282441461.db2.gz MWQKWMFHDIMJKL-UHFFFAOYSA-N 0 1 368.850 0.754 20 30 FCEDMN C#CCN(C(=O)C(C)C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588347504 1282442939 /nfs/dbraw/zinc/44/29/39/1282442939.db2.gz QXMTUMPNNHIWLG-UHFFFAOYSA-N 0 1 354.418 0.743 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588355081 1282450680 /nfs/dbraw/zinc/45/06/80/1282450680.db2.gz FDKQGCOWOBYQAL-DZGCQCFKSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588354884 1282451640 /nfs/dbraw/zinc/45/16/40/1282451640.db2.gz BYFRGBCPLCYTGA-OAHLLOKOSA-N 0 1 368.441 0.939 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588356536 1282461220 /nfs/dbraw/zinc/46/12/20/1282461220.db2.gz DAQALVUVIXGRKE-GFCCVEGCSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356599 1282461515 /nfs/dbraw/zinc/46/15/15/1282461515.db2.gz YEVXPTQMVXFJLZ-STQMWFEESA-N 0 1 357.418 0.549 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001588356494 1282461831 /nfs/dbraw/zinc/46/18/31/1282461831.db2.gz XTRNMYBGXCVSQN-RISCZKNCSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001588356494 1282461836 /nfs/dbraw/zinc/46/18/36/1282461836.db2.gz XTRNMYBGXCVSQN-RISCZKNCSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588357315 1282465325 /nfs/dbraw/zinc/46/53/25/1282465325.db2.gz LCMQJOLOZLVWMM-STQMWFEESA-N 0 1 370.417 0.028 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588358646 1282470045 /nfs/dbraw/zinc/47/00/45/1282470045.db2.gz UMVAIQNXAABRMA-KGLIPLIRSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359381 1282474300 /nfs/dbraw/zinc/47/43/00/1282474300.db2.gz MSSGHVGATLPJRT-AWEZNQCLSA-N 0 1 369.429 0.647 20 30 FCEDMN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588359784 1282476590 /nfs/dbraw/zinc/47/65/90/1282476590.db2.gz YIRKTSJGNNEVSY-OLZOCXBDSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001588361515 1282484100 /nfs/dbraw/zinc/48/41/00/1282484100.db2.gz OVHRZAZZFNPWPX-CHWSQXEVSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588362382 1282487111 /nfs/dbraw/zinc/48/71/11/1282487111.db2.gz CMLAZQDPPLLCPX-HDJSIYSDSA-N 0 1 369.429 0.563 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588391118 1282497702 /nfs/dbraw/zinc/49/77/02/1282497702.db2.gz FUMILDZPVRWDIU-ZDUSSCGKSA-N 0 1 373.461 0.826 20 30 FCEDMN C=C(C)C[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588406247 1282499593 /nfs/dbraw/zinc/49/95/93/1282499593.db2.gz SEXFRMMMKGPFQA-SECBINFHSA-N 0 1 368.375 0.380 20 30 FCEDMN C=C(C)[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)OCC ZINC001588402243 1282500309 /nfs/dbraw/zinc/50/03/09/1282500309.db2.gz DGONOZRXNXHYFX-LBPRGKRZSA-N 0 1 372.433 0.511 20 30 FCEDMN C=C(C)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588415053 1282505881 /nfs/dbraw/zinc/50/58/81/1282505881.db2.gz BEAVRCPYKMHKNR-NWDGAFQWSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)C1 ZINC001588448840 1282508518 /nfs/dbraw/zinc/50/85/18/1282508518.db2.gz GETZTNDNGGESQL-RYUDHWBXSA-N 0 1 354.418 0.694 20 30 FCEDMN C=C(Cl)CNCCOCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001588447400 1282509157 /nfs/dbraw/zinc/50/91/57/1282509157.db2.gz FATZZJYJEYOVHT-UHFFFAOYSA-N 0 1 353.814 0.626 20 30 FCEDMN C=C[C@@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588468555 1282514109 /nfs/dbraw/zinc/51/41/09/1282514109.db2.gz UJSPWILWCWLBRC-GXTWGEPZSA-N 0 1 364.413 0.965 20 30 FCEDMN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001588478052 1282516778 /nfs/dbraw/zinc/51/67/78/1282516778.db2.gz RREZLXLYZPVKFG-CABCVRRESA-N 0 1 356.430 0.740 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588476223 1282518272 /nfs/dbraw/zinc/51/82/72/1282518272.db2.gz UHDUHIUFMJMHRU-GOSISDBHSA-N 0 1 371.445 0.661 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588483438 1282519269 /nfs/dbraw/zinc/51/92/69/1282519269.db2.gz KCLOBAAUVPXOBV-GFCCVEGCSA-N 0 1 359.434 0.483 20 30 FCEDMN C=CC(C)(C)CC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588480977 1282521429 /nfs/dbraw/zinc/52/14/29/1282521429.db2.gz GSXNQPWSYJDTNU-UHFFFAOYSA-N 0 1 373.461 0.827 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588498480 1282526924 /nfs/dbraw/zinc/52/69/24/1282526924.db2.gz AIABQOMAMIFXAO-SJCJKPOMSA-N 0 1 372.433 0.269 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588499587 1282531415 /nfs/dbraw/zinc/53/14/15/1282531415.db2.gz KOOKVMQEGCVHLB-ACJLOTCBSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588501210 1282533899 /nfs/dbraw/zinc/53/38/99/1282533899.db2.gz LEWGVQBBLFJBSB-GTNSWQLSSA-N 0 1 372.433 0.315 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588501092 1282535473 /nfs/dbraw/zinc/53/54/73/1282535473.db2.gz JJEXVOYUKNIKAN-SJKOYZFVSA-N 0 1 374.449 0.349 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588501209 1282535822 /nfs/dbraw/zinc/53/58/22/1282535822.db2.gz LEWGVQBBLFJBSB-DIFFPNOSSA-N 0 1 372.433 0.315 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588502133 1282537918 /nfs/dbraw/zinc/53/79/18/1282537918.db2.gz QLRTXAWWNMLENJ-SJCJKPOMSA-N 0 1 357.418 0.414 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588503021 1282540427 /nfs/dbraw/zinc/54/04/27/1282540427.db2.gz WFUCGPVNVPPWHV-ZUZCIYMTSA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588503021 1282540437 /nfs/dbraw/zinc/54/04/37/1282540437.db2.gz WFUCGPVNVPPWHV-ZUZCIYMTSA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588504981 1282544940 /nfs/dbraw/zinc/54/49/40/1282544940.db2.gz NDPPCHUKNCPITC-BZNIZROVSA-N 0 1 360.422 0.315 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588520780 1282556354 /nfs/dbraw/zinc/55/63/54/1282556354.db2.gz DZLQGWDZXGQYII-STQMWFEESA-N 0 1 372.433 0.320 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001588551895 1282566222 /nfs/dbraw/zinc/56/62/22/1282566222.db2.gz KOWDLFJDQCLZNR-CYBMUJFWSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCCC(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588572674 1282569902 /nfs/dbraw/zinc/56/99/02/1282569902.db2.gz NYRGEFAOGGJSAX-CYBMUJFWSA-N 0 1 357.418 0.858 20 30 FCEDMN C=CCCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001588571259 1282571017 /nfs/dbraw/zinc/57/10/17/1282571017.db2.gz VWDVCPMEIGMJGG-UHFFFAOYSA-N 0 1 354.418 0.884 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608710 1282583406 /nfs/dbraw/zinc/58/34/06/1282583406.db2.gz PJEIHXSCAZLMJL-OLZOCXBDSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609449 1282588110 /nfs/dbraw/zinc/58/81/10/1282588110.db2.gz XHHCJHPHUXPJSM-OLZOCXBDSA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCCOCC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588611082 1282591224 /nfs/dbraw/zinc/59/12/24/1282591224.db2.gz QLQLJGXIIZRXPL-UHFFFAOYSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588617707 1282597532 /nfs/dbraw/zinc/59/75/32/1282597532.db2.gz YEILZTWVMCYSEX-STQMWFEESA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588616884 1282598479 /nfs/dbraw/zinc/59/84/79/1282598479.db2.gz OOETTYGBODFEQO-KBPBESRZSA-N 0 1 369.429 0.952 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588617674 1282599223 /nfs/dbraw/zinc/59/92/23/1282599223.db2.gz XNYIHKVLSCTJAW-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCN(Cc1ccccc1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588653535 1282604344 /nfs/dbraw/zinc/60/43/44/1282604344.db2.gz KZACYDKKQDJYQE-UHFFFAOYSA-N 0 1 353.390 0.856 20 30 FCEDMN C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001588658605 1282613922 /nfs/dbraw/zinc/61/39/22/1282613922.db2.gz BYYDSCIPQRMKTI-AAEUAGOBSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001588666148 1282619941 /nfs/dbraw/zinc/61/99/41/1282619941.db2.gz AZVVMUFUOMISBV-JSGCOSHPSA-N 0 1 357.418 0.535 20 30 FCEDMN C=CCOCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CCC1 ZINC001588674156 1282629846 /nfs/dbraw/zinc/62/98/46/1282629846.db2.gz JXFOPSREYQGLMF-UHFFFAOYSA-N 0 1 357.418 0.645 20 30 FCEDMN C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001588683533 1282648288 /nfs/dbraw/zinc/64/82/88/1282648288.db2.gz XKUFBRLPSUGGSH-CHWSQXEVSA-N 0 1 359.434 0.695 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCC[C@H](OC)C1 ZINC001588699402 1282653385 /nfs/dbraw/zinc/65/33/85/1282653385.db2.gz IRQGIVCXDUDVPI-JTQLQIEISA-N 0 1 356.394 0.650 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001588699178 1282654026 /nfs/dbraw/zinc/65/40/26/1282654026.db2.gz FFIKODGFOVMNAY-GHMZBOCLSA-N 0 1 356.394 0.648 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001588708598 1282655219 /nfs/dbraw/zinc/65/52/19/1282655219.db2.gz JKLUUYANVVRNHO-MNOVXSKESA-N 0 1 373.400 0.468 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC(C)=C(C)C1 ZINC001588709493 1282656807 /nfs/dbraw/zinc/65/68/07/1282656807.db2.gz SXPFQJWLCOIDJE-UHFFFAOYSA-N 0 1 367.421 0.831 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588722821 1282667368 /nfs/dbraw/zinc/66/73/68/1282667368.db2.gz COVBAGOXMICMAJ-DOMZBBRYSA-N 0 1 357.418 0.795 20 30 FCEDMN C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001638313845 1282682313 /nfs/dbraw/zinc/68/23/13/1282682313.db2.gz YOIGADIRCSXIIY-KBPBESRZSA-N 0 1 373.457 0.980 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2cccc(S(N)(=O)=O)c2)o1 ZINC001588781942 1282698586 /nfs/dbraw/zinc/69/85/86/1282698586.db2.gz MVYHVDSVHQNGCJ-UHFFFAOYSA-N 0 1 362.375 0.647 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588928544 1282730785 /nfs/dbraw/zinc/73/07/85/1282730785.db2.gz GVFMCNOZQHPRAW-VBHSOAQHSA-N 0 1 366.429 0.884 20 30 FCEDMN C[C@H](C(=O)NCCOc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588991397 1282759479 /nfs/dbraw/zinc/75/94/79/1282759479.db2.gz GBIDYPUOQXLMCP-SNVBAGLBSA-N 0 1 353.346 0.086 20 30 FCEDMN C[C@H](C(=O)NCc1ccc(OCC#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588998340 1282763501 /nfs/dbraw/zinc/76/35/01/1282763501.db2.gz SJBOGFVSGBXAFD-SNVBAGLBSA-N 0 1 353.346 0.238 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C#N)C1 ZINC001589157461 1282811346 /nfs/dbraw/zinc/81/13/46/1282811346.db2.gz BNYURLCPNYXQNY-UWVGGRQHSA-N 0 1 357.378 0.250 20 30 FCEDMN C[N@@H+]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H](Cc2ccccc2)C1 ZINC001639818475 1282816662 /nfs/dbraw/zinc/81/66/62/1282816662.db2.gz KDKOTMXZSRGIFF-MRXNPFEDSA-N 0 1 367.409 0.206 20 30 FCEDMN C[N@H+]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H](Cc2ccccc2)C1 ZINC001639818475 1282816668 /nfs/dbraw/zinc/81/66/68/1282816668.db2.gz KDKOTMXZSRGIFF-MRXNPFEDSA-N 0 1 367.409 0.206 20 30 FCEDMN CC(C)C#CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589388468 1282865882 /nfs/dbraw/zinc/86/58/82/1282865882.db2.gz XUOQTFASISJFOJ-UHFFFAOYSA-N 0 1 354.418 0.791 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001589390038 1282871919 /nfs/dbraw/zinc/87/19/19/1282871919.db2.gz YEEMNZNGXNZWSF-ZDUSSCGKSA-N 0 1 370.417 0.028 20 30 FCEDMN CCN(C[C@@H](C)C#N)C(=O)CSc1nc(O)cc(=O)n1CCOC ZINC001641459339 1282952966 /nfs/dbraw/zinc/95/29/66/1282952966.db2.gz XSOBBAWZFZINEB-NSHDSACASA-N 0 1 354.432 0.696 20 30 FCEDMN C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001590256018 1283378713 /nfs/dbraw/zinc/37/87/13/1283378713.db2.gz ZDNNJKFVJXNZLK-DGCLKSJQSA-N 0 1 358.406 0.646 20 30 FCEDMN C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590256514 1283379355 /nfs/dbraw/zinc/37/93/55/1283379355.db2.gz FXXVKMDLYVYYLX-TZMCWYRMSA-N 0 1 366.429 0.531 20 30 FCEDMN CCc1ccc([C@H](C#N)NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001604522566 1287651089 /nfs/dbraw/zinc/65/10/89/1287651089.db2.gz ZRDYBPJURWXASN-GWCFXTLKSA-N 0 1 351.374 0.963 20 30 FCEDMN CN1CC[C@@H](N2CCC(Nc3c(C#N)cccc3-c3nn[nH]n3)CC2)C1=O ZINC001591181466 1284282419 /nfs/dbraw/zinc/28/24/19/1284282419.db2.gz WRIXCROQHCBVOM-OAHLLOKOSA-N 0 1 366.429 0.845 20 30 FCEDMN COCC#CCN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001591363010 1284498913 /nfs/dbraw/zinc/49/89/13/1284498913.db2.gz YPTBLXJZKXPCRJ-TZMCWYRMSA-N 0 1 357.418 0.427 20 30 FCEDMN Cc1cc(N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008899 1285057509 /nfs/dbraw/zinc/05/75/09/1285057509.db2.gz NAHHQMNDOWJMJP-AWEZNQCLSA-N 0 1 367.413 0.305 20 30 FCEDMN Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036313 1285080355 /nfs/dbraw/zinc/08/03/55/1285080355.db2.gz QNOJQHYPXJGJPY-NEPJUHHUSA-N 0 1 372.458 0.650 20 30 FCEDMN Cc1cc(NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592045296 1285086319 /nfs/dbraw/zinc/08/63/19/1285086319.db2.gz CRIWIQKCAOEUML-AAEUAGOBSA-N 0 1 354.418 0.802 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](CNC(=O)C#CC(C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055208 1285097891 /nfs/dbraw/zinc/09/78/91/1285097891.db2.gz AYBMYFCDDQZZHO-HDJSIYSDSA-N 0 1 353.430 0.958 20 30 FCEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001604788458 1287780775 /nfs/dbraw/zinc/78/07/75/1287780775.db2.gz MWZSXDVLZNJIPA-CYBMUJFWSA-N 0 1 350.419 0.146 20 30 FCEDMN Cc1nc([C@@H](C)NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001592440974 1285371950 /nfs/dbraw/zinc/37/19/50/1285371950.db2.gz JTFWAFSPYNTQGP-RNCFNFMXSA-N 0 1 351.374 0.853 20 30 FCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001604788458 1287780779 /nfs/dbraw/zinc/78/07/79/1287780779.db2.gz MWZSXDVLZNJIPA-CYBMUJFWSA-N 0 1 350.419 0.146 20 30 FCEDMN CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001604794219 1287783728 /nfs/dbraw/zinc/78/37/28/1287783728.db2.gz FMBIOVQTWUGBFY-CQSZACIVSA-N 0 1 366.429 0.887 20 30 FCEDMN Cn1cc([C@@H](O)C[C@@H]2CCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 ZINC001592567731 1285481890 /nfs/dbraw/zinc/48/18/90/1285481890.db2.gz OQYYAASKYFQJEV-AAEUAGOBSA-N 0 1 366.389 0.354 20 30 FCEDMN N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCc1nc[nH]n1 ZINC001592666782 1285563165 /nfs/dbraw/zinc/56/31/65/1285563165.db2.gz QPXKUHZFSKXPIV-ZDUSSCGKSA-N 0 1 351.374 0.416 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001592679100 1285574013 /nfs/dbraw/zinc/57/40/13/1285574013.db2.gz GADODOSZHUJLLI-ZIAGYGMSSA-N 0 1 372.458 0.780 20 30 FCEDMN N#CCSCC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592679226 1285575025 /nfs/dbraw/zinc/57/50/25/1285575025.db2.gz JGDBLWYAEHVDQK-UHFFFAOYSA-N 0 1 373.446 0.034 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679527 1285575978 /nfs/dbraw/zinc/57/59/78/1285575978.db2.gz SUYZTFRWTZCULV-MNOVXSKESA-N 0 1 373.446 0.032 20 30 FCEDMN N#CCSCC(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001592680802 1285579659 /nfs/dbraw/zinc/57/96/59/1285579659.db2.gz ZSQIMIPEQDLYMU-UHFFFAOYSA-N 0 1 372.458 0.591 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCCCOc1ccccc1F ZINC001592683914 1285580757 /nfs/dbraw/zinc/58/07/57/1285580757.db2.gz GSLQZMIDOUFEPY-UHFFFAOYSA-N 0 1 370.348 0.659 20 30 FCEDMN N#Cc1ccc([C@@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)cc1 ZINC001592692047 1285586983 /nfs/dbraw/zinc/58/69/83/1285586983.db2.gz PYRCIPJLJAXQKQ-AWEZNQCLSA-N 0 1 359.353 0.978 20 30 FCEDMN N#Cc1ccc(N[C@@H]2CCCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)nc1 ZINC001592696206 1285587747 /nfs/dbraw/zinc/58/77/47/1285587747.db2.gz PFGLKXHUOBOBHE-GFCCVEGCSA-N 0 1 373.384 0.876 20 30 FCEDMN N#Cc1ncc(NCCNC(=O)NC2CCCCC2)nc1-c1nn[nH]n1 ZINC001592710767 1285596583 /nfs/dbraw/zinc/59/65/83/1285596583.db2.gz YSGUJZVAWRWPCS-UHFFFAOYSA-N 0 1 356.394 0.572 20 30 FCEDMN O=C(C#CC1CC1)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001592769271 1285694307 /nfs/dbraw/zinc/69/43/07/1285694307.db2.gz TWXGOBAKWHIWRH-UHFFFAOYSA-N 0 1 351.414 0.795 20 30 FCEDMN Cc1ccccc1C[NH+]1CCN(C(=O)CN(CC#N)CCC(=O)[O-])CC1 ZINC001600580139 1286509165 /nfs/dbraw/zinc/50/91/65/1286509165.db2.gz CXMIBAURXJVMRF-UHFFFAOYSA-N 0 1 358.442 0.940 20 30 FCEDMN N#CCOc1cccc(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001601075567 1286627165 /nfs/dbraw/zinc/62/71/65/1286627165.db2.gz LFBHNSCFDLXTDR-GOSISDBHSA-N 0 1 374.397 0.982 20 30 FCEDMN N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001601077026 1286627938 /nfs/dbraw/zinc/62/79/38/1286627938.db2.gz HVECCEAFHUXXJH-LSDHHAIUSA-N 0 1 371.397 0.729 20 30 FCEDMN N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCCN(CCC(=O)[O-])C3=O)C2)nc1 ZINC001601109140 1286635505 /nfs/dbraw/zinc/63/55/05/1286635505.db2.gz GRDSSAVSMGGWCP-LSDHHAIUSA-N 0 1 358.398 0.872 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)CC[N@H+](CCC(=O)[O-])C2CCOCC2)nc1 ZINC001601111346 1286636513 /nfs/dbraw/zinc/63/65/13/1286636513.db2.gz XVGIIRFDEIQHRS-UHFFFAOYSA-N 0 1 367.427 0.683 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C(=O)[O-])c2cccc(O)c2)nc1 ZINC001601111382 1286637201 /nfs/dbraw/zinc/63/72/01/1286637201.db2.gz ZULOEBQUGLLFKG-OAHLLOKOSA-N 0 1 361.379 0.848 20 30 FCEDMN N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001601122094 1286639088 /nfs/dbraw/zinc/63/90/88/1286639088.db2.gz CLPXZSHHQGSGLJ-AWEZNQCLSA-N 0 1 354.370 0.411 20 30 FCEDMN N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001601122094 1286639097 /nfs/dbraw/zinc/63/90/97/1286639097.db2.gz CLPXZSHHQGSGLJ-AWEZNQCLSA-N 0 1 354.370 0.411 20 30 FCEDMN O=C([O-])[C@]1([NH+]2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)CCOC1 ZINC001601224575 1286703406 /nfs/dbraw/zinc/70/34/06/1286703406.db2.gz WURMKFBLPJRTHR-IBGZPJMESA-N 0 1 372.377 0.155 20 30 FCEDMN COc1cccc(CN(C)C(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001609361474 1289117954 /nfs/dbraw/zinc/11/79/54/1289117954.db2.gz CEYFHYJOOLBNFV-UHFFFAOYSA-N 0 1 366.385 0.911 20 30 FCEDMN C#CCN(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CC[NH+](C)CC1 ZINC001602718301 1287074948 /nfs/dbraw/zinc/07/49/48/1287074948.db2.gz QXHPKAPBCHCMEH-UHFFFAOYSA-N 0 1 367.457 0.504 20 30 FCEDMN C#CCN1CCC(NC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001602721552 1287079418 /nfs/dbraw/zinc/07/94/18/1287079418.db2.gz NRJUQTSVPDPHIE-UHFFFAOYSA-N 0 1 369.433 0.070 20 30 FCEDMN C#CCNC(=O)C[N@@H+]1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)[O-])C1 ZINC001602724550 1287082148 /nfs/dbraw/zinc/08/21/48/1287082148.db2.gz BJQRBZKSALJEKT-FHSNZYRGSA-N 0 1 365.430 0.426 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602725646 1287083488 /nfs/dbraw/zinc/08/34/88/1287083488.db2.gz LNSDFSUUBNKCSL-STQMWFEESA-N 0 1 355.402 0.125 20 30 FCEDMN C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602725964 1287086552 /nfs/dbraw/zinc/08/65/52/1287086552.db2.gz AJIUAFIUKUIMOD-QGZVFWFLSA-N 0 1 368.441 0.939 20 30 FCEDMN C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602725961 1287087263 /nfs/dbraw/zinc/08/72/63/1287087263.db2.gz AJIUAFIUKUIMOD-KRWDZBQOSA-N 0 1 368.441 0.939 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001602726839 1287089581 /nfs/dbraw/zinc/08/95/81/1287089581.db2.gz TYYBAYQLDSRAPW-CYBMUJFWSA-N 0 1 369.429 0.633 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602729286 1287097579 /nfs/dbraw/zinc/09/75/79/1287097579.db2.gz NDVWUOOSLSKGTO-KBPBESRZSA-N 0 1 369.429 0.563 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602769997 1287109370 /nfs/dbraw/zinc/10/93/70/1287109370.db2.gz QJRVXZUDVZHNGE-OBJOEFQTSA-N 0 1 370.417 0.073 20 30 FCEDMN C=CC1CCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CCOC)CC1 ZINC001602806885 1287123186 /nfs/dbraw/zinc/12/31/86/1287123186.db2.gz AMASLMYFHSUKCC-UHFFFAOYSA-N 0 1 370.421 0.897 20 30 FCEDMN C=CCCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602824076 1287126888 /nfs/dbraw/zinc/12/68/88/1287126888.db2.gz IOEQELBOUAUVFE-LBPRGKRZSA-N 0 1 358.406 0.074 20 30 FCEDMN C=CCCC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)OC ZINC001602834426 1287128644 /nfs/dbraw/zinc/12/86/44/1287128644.db2.gz SRJMJHFJZCUWDM-VIFPVBQESA-N 0 1 355.376 0.636 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602841339 1287130701 /nfs/dbraw/zinc/13/07/01/1287130701.db2.gz VBCGIGCFKKIXHQ-DVOMOZLQSA-N 0 1 371.445 0.924 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001602840633 1287130908 /nfs/dbraw/zinc/13/09/08/1287130908.db2.gz ATKSBBAIJDSANN-LBPRGKRZSA-N 0 1 372.433 0.511 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602844133 1287132042 /nfs/dbraw/zinc/13/20/42/1287132042.db2.gz JVEBNAKDUONUBR-GFCCVEGCSA-N 0 1 358.406 0.074 20 30 FCEDMN C=CCCOCC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602844364 1287135156 /nfs/dbraw/zinc/13/51/56/1287135156.db2.gz ONUWZSFUGGLCGD-UHFFFAOYSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001602850715 1287136128 /nfs/dbraw/zinc/13/61/28/1287136128.db2.gz SUTFKYFIQBSTPD-KGLIPLIRSA-N 0 1 373.465 0.834 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001602868223 1287142488 /nfs/dbraw/zinc/14/24/88/1287142488.db2.gz JPJOIQMQNUYTNW-ZIAGYGMSSA-N 0 1 371.445 0.783 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001602982174 1287173039 /nfs/dbraw/zinc/17/30/39/1287173039.db2.gz PTHNTBZRVHTSAO-BZNIZROVSA-N 0 1 353.390 0.245 20 30 FCEDMN C[C@@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)n1cnc(-c2nn[nH]n2)n1 ZINC001603033276 1287194004 /nfs/dbraw/zinc/19/40/04/1287194004.db2.gz WNEAUMMSOVLFFZ-QMMMGPOBSA-N 0 1 355.366 0.481 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001603051725 1287198364 /nfs/dbraw/zinc/19/83/64/1287198364.db2.gz VLHIZRWGPRKKCN-GFCCVEGCSA-N 0 1 370.417 0.028 20 30 FCEDMN COCCCN(Cc1ccncc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001605089490 1287876710 /nfs/dbraw/zinc/87/67/10/1287876710.db2.gz ZFGOVXDCMNAYJI-UHFFFAOYSA-N 0 1 351.374 0.966 20 30 FCEDMN N#CCOc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)cc1 ZINC001606350086 1288266799 /nfs/dbraw/zinc/26/67/99/1288266799.db2.gz OZWFCUBRWCVSKW-UHFFFAOYSA-N 0 1 371.382 0.643 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)c1ccc(N2CCCC2=O)cc1 ZINC001606356184 1288271881 /nfs/dbraw/zinc/27/18/81/1288271881.db2.gz MJWRVZGKSIFJQP-UHFFFAOYSA-N 0 1 362.353 0.945 20 30 FCEDMN N#Cc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)[nH]1 ZINC001606367949 1288275226 /nfs/dbraw/zinc/27/52/26/1288275226.db2.gz UACNNMYHFIMQEF-UHFFFAOYSA-N 0 1 364.373 0.255 20 30 FCEDMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C(=O)[O-] ZINC001606425967 1288308133 /nfs/dbraw/zinc/30/81/33/1288308133.db2.gz OYYBQDCELKWSEZ-CHWSQXEVSA-N 0 1 351.403 0.477 20 30 FCEDMN COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C(=O)[O-] ZINC001606431923 1288312358 /nfs/dbraw/zinc/31/23/58/1288312358.db2.gz WTILJJLGUDFDRV-FVQBIDKESA-N 0 1 362.382 0.298 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001606457062 1288327736 /nfs/dbraw/zinc/32/77/36/1288327736.db2.gz HFVVDSXARAKFOD-CYBMUJFWSA-N 0 1 352.402 0.403 20 30 FCEDMN Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)n1 ZINC001725432019 1288466942 /nfs/dbraw/zinc/46/69/42/1288466942.db2.gz CRCOZVPIKHIBIY-GFCCVEGCSA-N 0 1 371.449 0.779 20 30 FCEDMN Cc1nnc(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)[nH]1 ZINC001725432019 1288466946 /nfs/dbraw/zinc/46/69/46/1288466946.db2.gz CRCOZVPIKHIBIY-GFCCVEGCSA-N 0 1 371.449 0.779 20 30 FCEDMN Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)n1 ZINC001725432024 1288467183 /nfs/dbraw/zinc/46/71/83/1288467183.db2.gz CRCOZVPIKHIBIY-LBPRGKRZSA-N 0 1 371.449 0.779 20 30 FCEDMN Cc1nnc(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)[nH]1 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/nfs/dbraw/zinc/49/06/37/946490637.db2.gz CXOVYCZKKQNUMW-AWEZNQCLSA-N 0 1 353.430 0.295 20 30 FCEDMN C#CCCCCC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573284304 946742432 /nfs/dbraw/zinc/74/24/32/946742432.db2.gz YLFVVLZNHWHQEX-CYBMUJFWSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCCCCC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573284283 946743310 /nfs/dbraw/zinc/74/33/10/946743310.db2.gz XTXLFVFBZNWKJK-CYBMUJFWSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573284369 946745390 /nfs/dbraw/zinc/74/53/90/946745390.db2.gz AFEUAOABIQRWIX-AWEZNQCLSA-N 0 1 371.445 0.629 20 30 FCEDMN C#CCCCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573285493 946781450 /nfs/dbraw/zinc/78/14/50/946781450.db2.gz YUKVFKMXEWAGGB-UHFFFAOYSA-N 0 1 366.429 0.721 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573285749 946787353 /nfs/dbraw/zinc/78/73/53/946787353.db2.gz MWNVXXMZUCYCHA-CYBMUJFWSA-N 0 1 357.418 0.503 20 30 FCEDMN C#CCOCCC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573286530 946812452 /nfs/dbraw/zinc/81/24/52/946812452.db2.gz DBDJUUCTPMPTSS-UHFFFAOYSA-N 0 1 370.417 0.124 20 30 FCEDMN C=C(Br)CN[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573291878 946923337 /nfs/dbraw/zinc/92/33/37/946923337.db2.gz LKKKFHVROAKOHJ-MRVPVSSYSA-N 0 1 354.212 0.811 20 30 FCEDMN C=C(Br)CNC[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573293412 946956244 /nfs/dbraw/zinc/95/62/44/946956244.db2.gz VOXWPPWNECWHRU-QMMMGPOBSA-N 0 1 354.212 0.811 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001573293801 946967637 /nfs/dbraw/zinc/96/76/37/946967637.db2.gz JZDKHOIEMBIFGX-UKRRQHHQSA-N 0 1 357.418 0.592 20 30 FCEDMN C=C(Cl)CN[C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001573296031 947038312 /nfs/dbraw/zinc/03/83/12/947038312.db2.gz YCYKXGOMJYMMTG-MFKMUULPSA-N 0 1 365.825 0.766 20 30 FCEDMN C=C(Cl)CNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001573297112 947059453 /nfs/dbraw/zinc/05/94/53/947059453.db2.gz DKVPVALWEUVLBP-LLVKDONJSA-N 0 1 351.798 0.378 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573576301 947151562 /nfs/dbraw/zinc/15/15/62/947151562.db2.gz GQEJPQJLPOFLRC-WDSKDSINSA-N 0 1 356.799 0.025 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573576299 947151582 /nfs/dbraw/zinc/15/15/82/947151582.db2.gz GQEJPQJLPOFLRC-PHDIDXHHSA-N 0 1 356.799 0.025 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001573577507 947167512 /nfs/dbraw/zinc/16/75/12/947167512.db2.gz QOXXQRGEJBDCNP-MPESAESLSA-N 0 1 351.414 0.820 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573577455 947168621 /nfs/dbraw/zinc/16/86/21/947168621.db2.gz PSIVZFFOSSUHNG-NKWVEPMBSA-N 0 1 352.811 0.831 20 30 FCEDMN C[C@H](C#N)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001573577914 947175931 /nfs/dbraw/zinc/17/59/31/947175931.db2.gz VKHNMCDXOCVALS-LLVKDONJSA-N 0 1 355.406 0.469 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001573577946 947179034 /nfs/dbraw/zinc/17/90/34/947179034.db2.gz WDZXBNASMCAMGL-QZKOUSHUSA-N 0 1 369.404 0.959 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573578157 947183540 /nfs/dbraw/zinc/18/35/40/947183540.db2.gz ZDPAWWSSABMZAS-WDSKDSINSA-N 0 1 356.799 0.025 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573310388 947223343 /nfs/dbraw/zinc/22/33/43/947223343.db2.gz XHQDZNBZWZOTEF-LBPRGKRZSA-N 0 1 357.827 0.832 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573310386 947223654 /nfs/dbraw/zinc/22/36/54/947223654.db2.gz XHCUYJAJJQICSU-ZBEGNZNMSA-N 0 1 360.422 0.224 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573585046 947243852 /nfs/dbraw/zinc/24/38/52/947243852.db2.gz JJGYSEDDFIWXDY-JHJVBQTASA-N 0 1 369.433 0.573 20 30 FCEDMN CN(CCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)c1ccccc1 ZINC000825918978 947370195 /nfs/dbraw/zinc/37/01/95/947370195.db2.gz RJNXYMYWODOJKO-UHFFFAOYSA-N 0 1 365.401 0.578 20 30 FCEDMN C=CCOCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001573343988 947565903 /nfs/dbraw/zinc/56/59/03/947565903.db2.gz VSLUHIKOCLJCOE-UHFFFAOYSA-N 0 1 358.406 0.122 20 30 FCEDMN COc1ccc(OC)c(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1 ZINC000826210996 947616090 /nfs/dbraw/zinc/61/60/90/947616090.db2.gz LYMJEPNVEHIWRG-UHFFFAOYSA-N 0 1 354.330 0.591 20 30 FCEDMN CC(=O)N1C[C@@H]2CCC[C@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)[C@@H]2C1 ZINC001573428830 948168365 /nfs/dbraw/zinc/16/83/65/948168365.db2.gz CSUZPBQYNGEKCZ-TUAOUCFPSA-N 0 1 353.390 0.587 20 30 FCEDMN CC(C)(C)C(=O)NC[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001573801979 949406939 /nfs/dbraw/zinc/40/69/39/949406939.db2.gz BGAOHCIICCBHGJ-LLVKDONJSA-N 0 1 369.433 0.907 20 30 FCEDMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1ccccc1C#N ZINC001574983463 950217718 /nfs/dbraw/zinc/21/77/18/950217718.db2.gz OHYYTUNLNXIZFW-LLVKDONJSA-N 0 1 350.386 0.975 20 30 FCEDMN CC(C)(C)OC(=O)NC1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001573861269 950443985 /nfs/dbraw/zinc/44/39/85/950443985.db2.gz WAKRMFPYGZVZDZ-UHFFFAOYSA-N 0 1 357.378 0.998 20 30 FCEDMN N#Cc1ncc(NCc2cccc(N3CCOCC3)c2)nc1-c1nn[nH]n1 ZINC001571006484 951182564 /nfs/dbraw/zinc/18/25/64/951182564.db2.gz IAEQDSVDJSHSQD-UHFFFAOYSA-N 0 1 363.385 0.977 20 30 FCEDMN C#CCN(CC(=O)[O-])C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001588402186 958088368 /nfs/dbraw/zinc/08/83/68/958088368.db2.gz OBHHGFDCGAHSHV-UHFFFAOYSA-N 0 1 353.419 0.522 20 30 FCEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001329839835 969714470 /nfs/dbraw/zinc/71/44/70/969714470.db2.gz HKLKAHPNUMGLIN-LSDHHAIUSA-N 0 1 361.446 0.575 20 30 FCEDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001592406504 977985392 /nfs/dbraw/zinc/98/53/92/977985392.db2.gz TXQZEYJLBAIVGH-CYBMUJFWSA-N 0 1 374.397 0.535 20 30 FCEDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC001592418806 978027256 /nfs/dbraw/zinc/02/72/56/978027256.db2.gz WZBSYUBFQZUMMS-NSHDSACASA-N 0 1 357.457 0.930 20 30 FCEDMN C#CC[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588404671 983418346 /nfs/dbraw/zinc/41/83/46/983418346.db2.gz FNPJORAFLSIKQP-CYBMUJFWSA-N 0 1 353.419 0.568 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001588463598 983491482 /nfs/dbraw/zinc/49/14/82/983491482.db2.gz CUMYTGHADUNEDR-UHFFFAOYSA-N 0 1 354.428 0.765 20 30 FCEDMN C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588479290 983518716 /nfs/dbraw/zinc/51/87/16/983518716.db2.gz IIICMVQDDBXMGI-CHWSQXEVSA-N 0 1 365.430 0.378 20 30 FCEDMN C=CCNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588838372 984337521 /nfs/dbraw/zinc/33/75/21/984337521.db2.gz DQHFAIFGRLUOIN-LBPRGKRZSA-N 0 1 353.419 0.542 20 30 FCEDMN C=CCOC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC001588855182 984391246 /nfs/dbraw/zinc/39/12/46/984391246.db2.gz BILTUYRBSJUYGO-KFWWJZLASA-N 0 1 350.419 0.227 20 30 FCEDMN C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001588910383 984549261 /nfs/dbraw/zinc/54/92/61/984549261.db2.gz VSXGFXAFWWBTIC-RDBSUJKOSA-N 0 1 363.418 0.290 20 30 FCEDMN CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cncc(C(=O)[O-])c1 ZINC001589016780 984997523 /nfs/dbraw/zinc/99/75/23/984997523.db2.gz HYUHIRQDZRBYRW-UHFFFAOYSA-N 0 1 365.459 0.690 20 30 FCEDMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001598749948 995639656 /nfs/dbraw/zinc/63/96/56/995639656.db2.gz IZBDKACSRWWZKF-RDBSUJKOSA-N 0 1 354.403 0.396 20 30 FCEDMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC001598749948 995639665 /nfs/dbraw/zinc/63/96/65/995639665.db2.gz IZBDKACSRWWZKF-RDBSUJKOSA-N 0 1 354.403 0.396 20 30 FCEDMN COC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598824460 996366346 /nfs/dbraw/zinc/36/63/46/996366346.db2.gz ZWPKAQYRBYNAHJ-LSDHHAIUSA-N 0 1 359.382 0.739 20 30 FCEDMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598824460 996366349 /nfs/dbraw/zinc/36/63/49/996366349.db2.gz ZWPKAQYRBYNAHJ-LSDHHAIUSA-N 0 1 359.382 0.739 20 30 FCEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294006797 214217046 /nfs/dbraw/zinc/21/70/46/214217046.db2.gz PFUYGLVEXOEXDE-MJBXVCDLSA-N 0 1 364.471 0.776 20 30 FCEDMN CN(C)CC(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296453000 214350267 /nfs/dbraw/zinc/35/02/67/214350267.db2.gz ISWFQJDJUHJAOD-UHFFFAOYSA-N 0 1 352.236 0.926 20 30 FCEDMN CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000291037072 214011072 /nfs/dbraw/zinc/01/10/72/214011072.db2.gz YWMXBBOTVHNMJA-CYBMUJFWSA-N 0 1 350.444 0.389 20 30 FCEDMN COCCN1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000265614812 210179897 /nfs/dbraw/zinc/17/98/97/210179897.db2.gz ORGWAMAOWMYGHW-INIZCTEOSA-N 0 1 358.446 0.506 20 30 FCEDMN 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C=CCCCC(=O)N[C@@H]1CCN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1O ZINC001575094121 1271716614 /nfs/dbraw/zinc/71/66/14/1271716614.db2.gz VACYTXAQDIGTLI-CVEARBPZSA-N 0 1 363.462 0.952 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC(NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575097399 1271717605 /nfs/dbraw/zinc/71/76/05/1271717605.db2.gz KDFQULXPSMKIQL-GFCCVEGCSA-N 0 1 370.413 0.789 20 30 FCEDMN C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)N(CCc3cn[nH]n3)C2)nn1 ZINC001575099950 1271720222 /nfs/dbraw/zinc/72/02/22/1271720222.db2.gz GYBXXKGNCSYCIS-ZFWWWQNUSA-N 0 1 358.450 0.798 20 30 FCEDMN C=CCNC(=O)[C@H](C)NC1(CNC(=O)c2cncc(-c3c[nH]nn3)c2)CC1 ZINC001575104583 1271720898 /nfs/dbraw/zinc/72/08/98/1271720898.db2.gz SNZJJWHOAODREJ-LBPRGKRZSA-N 0 1 369.429 0.409 20 30 FCEDMN C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1c[nH]nn1 ZINC001575107839 1271722233 /nfs/dbraw/zinc/72/22/33/1271722233.db2.gz BISAHYDYNSDXMW-RDBSUJKOSA-N 0 1 361.450 0.290 20 30 FCEDMN C=CCOCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCCc1c[nH]nn1)C2 ZINC001575110652 1271723288 /nfs/dbraw/zinc/72/32/88/1271723288.db2.gz WLQMFDHLRIZMBM-KSSFIOAISA-N 0 1 361.446 0.827 20 30 FCEDMN C=CCOCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCCc1cnn[nH]1)C2 ZINC001575110652 1271723300 /nfs/dbraw/zinc/72/33/00/1271723300.db2.gz WLQMFDHLRIZMBM-KSSFIOAISA-N 0 1 361.446 0.827 20 30 FCEDMN C=CCOCCN1C[C@@H](NC(=O)Cc2ccccc2-c2c[nH]nn2)[C@@H](O)C1 ZINC001575110155 1271723616 /nfs/dbraw/zinc/72/36/16/1271723616.db2.gz KBHMSAOVYWUKLW-MSOLQXFVSA-N 0 1 371.441 0.378 20 30 FCEDMN C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)CCCCc2cn[nH]n2)nn1 ZINC001575111254 1271724241 /nfs/dbraw/zinc/72/42/41/1271724241.db2.gz AKICQYCZEBTOJE-CQSZACIVSA-N 0 1 372.433 0.326 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001575112730 1271725608 /nfs/dbraw/zinc/72/56/08/1271725608.db2.gz WYVZHNXQKLSZNJ-LBPRGKRZSA-N 0 1 372.433 0.182 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001575112730 1271725616 /nfs/dbraw/zinc/72/56/16/1271725616.db2.gz WYVZHNXQKLSZNJ-LBPRGKRZSA-N 0 1 372.433 0.182 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(C)n1C[C@H]1NC(=O)CC1(C)C ZINC001575122151 1271730883 /nfs/dbraw/zinc/73/08/83/1271730883.db2.gz SRDXPPFIYLIGQK-CQSZACIVSA-N 0 1 356.434 0.649 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC001575118592 1271731993 /nfs/dbraw/zinc/73/19/93/1271731993.db2.gz PCAZZJVMPZPVIO-ZFWWWQNUSA-N 0 1 357.418 0.993 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(C2CC2)n1C[C@@H]1COCCO1 ZINC001575121338 1271732696 /nfs/dbraw/zinc/73/26/96/1271732696.db2.gz DPCUYVZKCQQYTJ-OAHLLOKOSA-N 0 1 357.418 0.719 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)O ZINC001575118245 1271733023 /nfs/dbraw/zinc/73/30/23/1271733023.db2.gz LBTNVDOMXRWHRB-UHFFFAOYSA-N 0 1 369.433 0.598 20 30 FCEDMN CC#CCN1CCN(CCCNC(=O)c2ccc(-c3c[nH]nn3)cn2)CC1 ZINC001575123425 1271734063 /nfs/dbraw/zinc/73/40/63/1271734063.db2.gz SEVSMSWUALVTFP-UHFFFAOYSA-N 0 1 367.457 0.628 20 30 FCEDMN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)c2cnn3cc[nH]c23)CC1 ZINC001575123853 1271735524 /nfs/dbraw/zinc/73/55/24/1271735524.db2.gz XIWCFYPAXVUXBL-UHFFFAOYSA-N 0 1 366.429 0.911 20 30 FCEDMN C[C@H](C#N)C(=O)NC1(CNC(=O)C2CCN(Cc3c[nH]nn3)CC2)CCC1 ZINC001575176121 1271762836 /nfs/dbraw/zinc/76/28/36/1271762836.db2.gz DRCSPKNDXKFRKO-CYBMUJFWSA-N 0 1 373.461 0.331 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C[C@H]21 ZINC001575176165 1271764039 /nfs/dbraw/zinc/76/40/39/1271764039.db2.gz FBNNNWKYJQTMSZ-APAOZMKASA-N 0 1 351.370 0.213 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCCc2c[nH]nn2)C1 ZINC001575176295 1271764677 /nfs/dbraw/zinc/76/46/77/1271764677.db2.gz FJXCOGMTSVXDOU-RYUDHWBXSA-N 0 1 368.388 0.887 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCCc2cnn[nH]2)C1 ZINC001575176295 1271764682 /nfs/dbraw/zinc/76/46/82/1271764682.db2.gz FJXCOGMTSVXDOU-RYUDHWBXSA-N 0 1 368.388 0.887 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCOC2)CC1 ZINC001575176971 1271764801 /nfs/dbraw/zinc/76/48/01/1271764801.db2.gz JFIVJDBBLASHGK-STQMWFEESA-N 0 1 360.418 0.320 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575176663 1271765380 /nfs/dbraw/zinc/76/53/80/1271765380.db2.gz GXDBGFQFURJSSR-VXGBXAGGSA-N 0 1 353.386 0.605 20 30 FCEDMN C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575177387 1271766623 /nfs/dbraw/zinc/76/66/23/1271766623.db2.gz KWZFLAAQHVIIRI-GFCCVEGCSA-N 0 1 371.401 0.231 20 30 FCEDMN C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(OCc2c[nH]nn2)cc1 ZINC001575180171 1271769368 /nfs/dbraw/zinc/76/93/68/1271769368.db2.gz ZYELTXJPGQRTDX-NWDGAFQWSA-N 0 1 356.386 0.778 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)CCO1 ZINC001575180082 1271769390 /nfs/dbraw/zinc/76/93/90/1271769390.db2.gz ZEUXQZQWWAVZMA-OCCSQVGLSA-N 0 1 360.418 0.021 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 ZINC001575180082 1271769398 /nfs/dbraw/zinc/76/93/98/1271769398.db2.gz ZEUXQZQWWAVZMA-OCCSQVGLSA-N 0 1 360.418 0.021 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)C(C)C ZINC001575318527 1271917856 /nfs/dbraw/zinc/91/78/56/1271917856.db2.gz KTYYYYVMGSKEKC-IRXDYDNUSA-N 0 1 374.489 0.686 20 30 FCEDMN C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)c1nc(C(F)(F)F)n[nH]1 ZINC001575442404 1272112636 /nfs/dbraw/zinc/11/26/36/1272112636.db2.gz BGARXDFEOUBVKC-SCSAIBSYSA-N 0 1 351.256 0.838 20 30 FCEDMN C[C@@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)CNc1ccnc(C#N)n1 ZINC001575600564 1272224980 /nfs/dbraw/zinc/22/49/80/1272224980.db2.gz FPRFHKMUXCABTI-LLVKDONJSA-N 0 1 363.385 0.428 20 30 FCEDMN CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CNC[C@H]2C#N)s1 ZINC001575670644 1272282913 /nfs/dbraw/zinc/28/29/13/1272282913.db2.gz NWHWQPNOOYFYJO-GHMZBOCLSA-N 0 1 350.448 0.683 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001575717586 1272362341 /nfs/dbraw/zinc/36/23/41/1272362341.db2.gz DHBBLISXSYPVIV-WCQYABFASA-N 0 1 356.390 0.109 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)CCCNC(=O)c1cc(C#N)c[nH]1 ZINC001575729035 1272396458 /nfs/dbraw/zinc/39/64/58/1272396458.db2.gz OENZIPXSRSDHND-LLVKDONJSA-N 0 1 359.390 0.188 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](CN(C)c2ccc(C#N)nc2)C1 ZINC001575741729 1272411363 /nfs/dbraw/zinc/41/13/63/1272411363.db2.gz KROVHZJMMHGDMY-KGLIPLIRSA-N 0 1 369.429 0.961 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCCC[C@H]1CNc1cnc(C#N)cn1 ZINC001575822414 1272482301 /nfs/dbraw/zinc/48/23/01/1272482301.db2.gz IYLHXQPCUOHPNL-DOMZBBRYSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001575845015 1272519929 /nfs/dbraw/zinc/51/99/29/1272519929.db2.gz UZZHSUWSPIIJRQ-LLVKDONJSA-N 0 1 371.401 0.378 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001575849166 1272522937 /nfs/dbraw/zinc/52/29/37/1272522937.db2.gz XSUGNAMLYAXNMZ-VXGBXAGGSA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@H](OCc1cn[nH]n1)C(=O)NCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001575869678 1272537859 /nfs/dbraw/zinc/53/78/59/1272537859.db2.gz WRHVZSLMGCRYSI-LBPRGKRZSA-N 0 1 360.393 0.969 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001575880030 1272545080 /nfs/dbraw/zinc/54/50/80/1272545080.db2.gz RFHVMHJIRXOTQF-NQBHXWOUSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1CC[C@H](Nc2cncc(C#N)n2)CC1 ZINC001575886949 1272548944 /nfs/dbraw/zinc/54/89/44/1272548944.db2.gz GVLSNZXXKIWNGW-AVGNSLFASA-N 0 1 370.417 0.911 20 30 FCEDMN CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)CCCc1c[nH]nn1 ZINC001575962719 1272614922 /nfs/dbraw/zinc/61/49/22/1272614922.db2.gz KKOUNBXMQNLKRM-CQSZACIVSA-N 0 1 354.418 0.820 20 30 FCEDMN CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)CCCc1cnn[nH]1 ZINC001575962719 1272614927 /nfs/dbraw/zinc/61/49/27/1272614927.db2.gz KKOUNBXMQNLKRM-CQSZACIVSA-N 0 1 354.418 0.820 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576026753 1272730038 /nfs/dbraw/zinc/73/00/38/1272730038.db2.gz MFTNJXFWYKHSLT-RISCZKNCSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001576129011 1272929297 /nfs/dbraw/zinc/92/92/97/1272929297.db2.gz FQSJEJLZKRNCLC-GXTWGEPZSA-N 0 1 369.429 0.852 20 30 FCEDMN C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001576129011 1272929300 /nfs/dbraw/zinc/92/93/00/1272929300.db2.gz FQSJEJLZKRNCLC-GXTWGEPZSA-N 0 1 369.429 0.852 20 30 FCEDMN CN(CCCNC(=O)c1ccc(-c2c[nH]nn2)nc1)c1ccc(C#N)nn1 ZINC001576808562 1273720577 /nfs/dbraw/zinc/72/05/77/1273720577.db2.gz KNRWNWSBIOMMHP-UHFFFAOYSA-N 0 1 363.385 0.785 20 30 FCEDMN CN(CCOCc1c[nH]nn1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC001576840041 1273776693 /nfs/dbraw/zinc/77/66/93/1273776693.db2.gz ZDVQZDIVFJDFTN-UHFFFAOYSA-N 0 1 353.379 0.794 20 30 FCEDMN CO[C@@H](C)CC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001576930579 1273954442 /nfs/dbraw/zinc/95/44/42/1273954442.db2.gz PBKPXDVVPLEPBY-STQMWFEESA-N 0 1 362.434 0.709 20 30 FCEDMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577120719 1274175619 /nfs/dbraw/zinc/17/56/19/1274175619.db2.gz ZREDHSVMGKCDKB-LLVKDONJSA-N 0 1 355.406 0.421 20 30 FCEDMN Cc1cc(N(C)C[C@@H](C)NC(=O)[C@@H](C)OCc2c[nH]nn2)c(C#N)cn1 ZINC001577338576 1274347860 /nfs/dbraw/zinc/34/78/60/1274347860.db2.gz LLNFCQFFWBHOCX-CHWSQXEVSA-N 0 1 357.418 0.926 20 30 FCEDMN Cc1nc(NCCN(CCO)C(=O)[C@@H](C)OCc2c[nH]nn2)ccc1C#N ZINC001577557729 1274500398 /nfs/dbraw/zinc/50/03/98/1274500398.db2.gz QDQMFSLSRYRHPS-CYBMUJFWSA-N 0 1 373.417 0.218 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCc3sc(CNCc4c[nH]nn4)nc3C2)c1 ZINC001577712348 1274771189 /nfs/dbraw/zinc/77/11/89/1274771189.db2.gz JTLVPNBLQURFTD-UHFFFAOYSA-N 0 1 368.426 0.949 20 30 FCEDMN N#CCc1ccccc1S(=O)(=O)NCc1cnn(Cc2cn[nH]n2)c1 ZINC001577710228 1274771296 /nfs/dbraw/zinc/77/12/96/1274771296.db2.gz SWZCOJRSNQLIQV-UHFFFAOYSA-N 0 1 357.399 0.594 20 30 FCEDMN N#Cc1ccc(NCC2(NC(=O)CCCc3c[nH]nn3)CCOCC2)nn1 ZINC001577714963 1274773855 /nfs/dbraw/zinc/77/38/55/1274773855.db2.gz DOUPCIOMWAKOHG-UHFFFAOYSA-N 0 1 370.417 0.567 20 30 FCEDMN N#Cc1ccc(NCC2(NC(=O)CCCc3cnn[nH]3)CCOCC2)nn1 ZINC001577714963 1274773863 /nfs/dbraw/zinc/77/38/63/1274773863.db2.gz DOUPCIOMWAKOHG-UHFFFAOYSA-N 0 1 370.417 0.567 20 30 FCEDMN N#Cc1ccc(C(=O)NCC(=O)N2CCCN(Cc3c[nH]nn3)CC2)cc1 ZINC001577712482 1274774221 /nfs/dbraw/zinc/77/42/21/1274774221.db2.gz OJFLJVZWMINAQO-UHFFFAOYSA-N 0 1 367.413 0.141 20 30 FCEDMN N#Cc1cccnc1NC[C@H](NC(=O)CCOCc1c[nH]nn1)C1CC1 ZINC001577717730 1274777097 /nfs/dbraw/zinc/77/70/97/1274777097.db2.gz PDFVPOODKPFXTE-HNNXBMFYSA-N 0 1 355.402 0.985 20 30 FCEDMN N#Cc1cnccc1N[C@H]1CCCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577719047 1274782901 /nfs/dbraw/zinc/78/29/01/1274782901.db2.gz GQNHGBITJCUQFB-AWEZNQCLSA-N 0 1 355.402 0.503 20 30 FCEDMN N#Cc1cncc(NC[C@H]2CCCCN2C(=O)CCOCc2c[nH]nn2)n1 ZINC001577719036 1274782940 /nfs/dbraw/zinc/78/29/40/1274782940.db2.gz GHAFVSHAMOPDPA-OAHLLOKOSA-N 0 1 370.417 0.866 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C2)n1 ZINC001577719082 1274783116 /nfs/dbraw/zinc/78/31/16/1274783116.db2.gz IDDRDFARWPFZFQ-GFCCVEGCSA-N 0 1 361.369 0.277 20 30 FCEDMN N#Cc1cnc(N2CCC(N(Cc3c[nH]nn3)C(=O)C3CC3)CC2)cn1 ZINC001577719545 1274785412 /nfs/dbraw/zinc/78/54/12/1274785412.db2.gz VPYCXETXHWGLFE-UHFFFAOYSA-N 0 1 352.402 0.874 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577999992 1275252784 /nfs/dbraw/zinc/25/27/84/1275252784.db2.gz YADGXMPNOXYSOJ-RDJZCZTQSA-N 0 1 370.457 0.147 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)N[C@@H]2CNC[C@@H]2C#N)C1)C(=O)OC(C)(C)C ZINC001578454173 1275852246 /nfs/dbraw/zinc/85/22/46/1275852246.db2.gz VAOMDWAOBHVJIE-MELADBBJSA-N 0 1 351.451 0.996 20 30 FCEDMN CCc1n[nH]c(=O)c(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1CC ZINC001578560608 1275988893 /nfs/dbraw/zinc/98/88/93/1275988893.db2.gz WBOQGVGHOMJFPO-UHFFFAOYSA-N 0 1 352.362 0.761 20 30 FCEDMN COCc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H]1CNC[C@@H]1C#N ZINC001579091535 1276728251 /nfs/dbraw/zinc/72/82/51/1276728251.db2.gz SZCFJSIECITLGT-QWHCGFSZSA-N 0 1 353.400 0.009 20 30 FCEDMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579148313 1276880414 /nfs/dbraw/zinc/88/04/14/1276880414.db2.gz PIGLKRPVBYRBOV-UHFFFAOYSA-N 0 1 352.362 0.065 20 30 FCEDMN CN(CCNC(=O)CSCC#N)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001579183149 1276950614 /nfs/dbraw/zinc/95/06/14/1276950614.db2.gz WSNXXIYWSWYLKH-UHFFFAOYSA-N 0 1 372.867 0.786 20 30 FCEDMN CN(Cc1nccn1CC(F)(F)F)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579265459 1277062334 /nfs/dbraw/zinc/06/23/34/1277062334.db2.gz HAXNTBTUCQKWEH-UHFFFAOYSA-N 0 1 364.295 0.924 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nnn[n-]2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001579350033 1277205033 /nfs/dbraw/zinc/20/50/33/1277205033.db2.gz WNNVYLOMRLPWMJ-CYBMUJFWSA-N 0 1 368.449 0.133 20 30 FCEDMN CNC(=O)COc1cccc(Oc2cnc(-c3nn[nH]n3)c(C#N)n2)c1 ZINC001579398934 1277282538 /nfs/dbraw/zinc/28/25/38/1277282538.db2.gz RAEDRZCBXOAFJQ-UHFFFAOYSA-N 0 1 352.314 0.445 20 30 FCEDMN COC(=O)[C@H](CC1CCOCC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579433435 1277300311 /nfs/dbraw/zinc/30/03/11/1277300311.db2.gz GKUDCGOCWADXJX-JTQLQIEISA-N 0 1 358.362 0.299 20 30 FCEDMN Cc1cc(N2CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970513 1279171848 /nfs/dbraw/zinc/17/18/48/1279171848.db2.gz DYFSHZNTVJDARI-GTNSWQLSSA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580977981 1279178900 /nfs/dbraw/zinc/17/89/00/1279178900.db2.gz ZVXDQWQOLRUODW-RTXFEEFZSA-N 0 1 352.402 0.624 20 30 FCEDMN Cc1cc(N[C@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994294 1279200818 /nfs/dbraw/zinc/20/08/18/1279200818.db2.gz LXAMSCPPAWENIC-LLVKDONJSA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cc(NC2CC3(CC(NC(=O)[C@@H](C)C#N)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003230 1279221344 /nfs/dbraw/zinc/22/13/44/1279221344.db2.gz KYAFPVDRMNEGLR-CUYUZAHUSA-N 0 1 366.429 0.991 20 30 FCEDMN Cc1cc(NC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581022880 1279253135 /nfs/dbraw/zinc/25/31/35/1279253135.db2.gz IMYYPKMQGHHKKB-WFASDCNBSA-N 0 1 365.441 0.912 20 30 FCEDMN Cc1cc(NCCN(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028191 1279263471 /nfs/dbraw/zinc/26/34/71/1279263471.db2.gz KNVCVJPDGXUNPF-UHFFFAOYSA-N 0 1 351.374 0.376 20 30 FCEDMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038514 1279274862 /nfs/dbraw/zinc/27/48/62/1279274862.db2.gz PLYJZVPTPSLORA-TXEJJXNPSA-N 0 1 363.385 0.565 20 30 FCEDMN Cc1ccccc1[C@@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001581256569 1279530880 /nfs/dbraw/zinc/53/08/80/1279530880.db2.gz IPXRDIVQHVUYSE-OAHLLOKOSA-N 0 1 361.369 0.514 20 30 FCEDMN Cc1nn(C)c(N2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)c1-c1nn[nH]n1 ZINC001581593645 1280193957 /nfs/dbraw/zinc/19/39/57/1280193957.db2.gz LWYUWWCAENCUIQ-ZDUSSCGKSA-N 0 1 371.449 0.085 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1C[C@H](O)c1cc(Br)no1 ZINC001581860604 1280614701 /nfs/dbraw/zinc/61/47/01/1280614701.db2.gz JKICLSBYCWCNPO-LURJTMIESA-N 0 1 351.124 0.419 20 30 FCEDMN N#Cc1cc(Br)cnc1NCCn1cnc(-c2nn[nH]n2)n1 ZINC001581863258 1280616295 /nfs/dbraw/zinc/61/62/95/1280616295.db2.gz DTZWFOLUBXMJRV-UHFFFAOYSA-N 0 1 361.167 0.599 20 30 FCEDMN N#Cc1cc(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c[nH]1 ZINC001581865227 1280617646 /nfs/dbraw/zinc/61/76/46/1280617646.db2.gz GFCFBYFIXLTUHC-OAHLLOKOSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001581867421 1280623758 /nfs/dbraw/zinc/62/37/58/1280623758.db2.gz HRNJSSKIKWOQRZ-LLVKDONJSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1nc(N2CCC[C@](C#N)(c3ccccn3)C2)cnc1-c1nn[nH]n1 ZINC001581879191 1280634738 /nfs/dbraw/zinc/63/47/38/1280634738.db2.gz AFWJAEMSXZJVEX-QGZVFWFLSA-N 0 1 358.369 0.985 20 30 FCEDMN N#Cc1nc(N2CCC[C@@](C#N)(c3ccccn3)C2)cnc1-c1nn[nH]n1 ZINC001581879190 1280635838 /nfs/dbraw/zinc/63/58/38/1280635838.db2.gz AFWJAEMSXZJVEX-KRWDZBQOSA-N 0 1 358.369 0.985 20 30 FCEDMN N#Cc1ncc(N2CC[C@@]3(C2)c2ccccc2NC3=O)nc1-c1nn[nH]n1 ZINC001581881988 1280641003 /nfs/dbraw/zinc/64/10/03/1280641003.db2.gz HIPMNRNVPYFPOI-QGZVFWFLSA-N 0 1 359.353 0.629 20 30 FCEDMN N#Cc1ncc(N2CCC(N3CCCCC3=O)CC2)nc1-c1nn[nH]n1 ZINC001581881807 1280642283 /nfs/dbraw/zinc/64/22/83/1280642283.db2.gz ASTYJFUPZXVOSD-UHFFFAOYSA-N 0 1 353.390 0.510 20 30 FCEDMN N#Cc1ncc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)nc1-c1nn[nH]n1 ZINC001581882775 1280643753 /nfs/dbraw/zinc/64/37/53/1280643753.db2.gz HBVSAYVEXUWPBI-BXUZGUMPSA-N 0 1 372.776 0.688 20 30 FCEDMN N#Cc1c(N)sc2c1CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 ZINC001581882507 1280645043 /nfs/dbraw/zinc/64/50/43/1280645043.db2.gz BMAKVTOVHSOFFR-UHFFFAOYSA-N 0 1 350.371 0.606 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCCc3c2cnn3CCO)nc1-c1nn[nH]n1 ZINC001581883416 1280646202 /nfs/dbraw/zinc/64/62/02/1280646202.db2.gz ZBNGEIFCPWRRQL-JTQLQIEISA-N 0 1 352.362 0.207 20 30 FCEDMN N#Cc1ncc(NCc2ccc3c(c2)CCS3(=O)=O)nc1-c1nn[nH]n1 ZINC001581883937 1280650655 /nfs/dbraw/zinc/65/06/55/1280650655.db2.gz CWDNNXVQKINIMN-UHFFFAOYSA-N 0 1 368.382 0.470 20 30 FCEDMN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC001586319748 1282292550 /nfs/dbraw/zinc/29/25/50/1282292550.db2.gz RKTLYICFBAAPQX-INIZCTEOSA-N 0 1 367.409 0.520 20 30 FCEDMN C#C[C@@H]1CCCCN1c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CCOC ZINC001588332508 1282425150 /nfs/dbraw/zinc/42/51/50/1282425150.db2.gz LOWGBLMBGPZPOI-LLVKDONJSA-N 0 1 368.405 0.487 20 30 FCEDMN C#C[C@H]1CCCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CC=C)C1 ZINC001588332648 1282426098 /nfs/dbraw/zinc/42/60/98/1282426098.db2.gz OTXLQFHKBKABFB-LBPRGKRZSA-N 0 1 365.405 0.134 20 30 FCEDMN C#CCCCC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588340398 1282437136 /nfs/dbraw/zinc/43/71/36/1282437136.db2.gz OGWCPNQTSVPLJJ-QMMMGPOBSA-N 0 1 369.838 0.669 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001588343415 1282440782 /nfs/dbraw/zinc/44/07/82/1282440782.db2.gz KUROXSPNILBWGU-STQMWFEESA-N 0 1 352.402 0.640 20 30 FCEDMN C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588348369 1282442649 /nfs/dbraw/zinc/44/26/49/1282442649.db2.gz SLZREYFQOKEZED-GXTWGEPZSA-N 0 1 366.429 0.743 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001588349651 1282445172 /nfs/dbraw/zinc/44/51/72/1282445172.db2.gz URKMZBQYFFCWPZ-UHFFFAOYSA-N 0 1 354.461 0.303 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001588349651 1282445174 /nfs/dbraw/zinc/44/51/74/1282445174.db2.gz URKMZBQYFFCWPZ-UHFFFAOYSA-N 0 1 354.461 0.303 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588355235 1282453224 /nfs/dbraw/zinc/45/32/24/1282453224.db2.gz GFZATLBGRUKONX-LBPRGKRZSA-N 0 1 355.402 0.385 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588355627 1282454741 /nfs/dbraw/zinc/45/47/41/1282454741.db2.gz KOPDAJJOJLFBHQ-ZIAGYGMSSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001588356491 1282460962 /nfs/dbraw/zinc/46/09/62/1282460962.db2.gz XTRNMYBGXCVSQN-BXUZGUMPSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001588356491 1282460969 /nfs/dbraw/zinc/46/09/69/1282460969.db2.gz XTRNMYBGXCVSQN-BXUZGUMPSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588358300 1282469267 /nfs/dbraw/zinc/46/92/67/1282469267.db2.gz QPHKALDRBZVHHT-CYBMUJFWSA-N 0 1 357.418 0.291 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588358567 1282470813 /nfs/dbraw/zinc/47/08/13/1282470813.db2.gz SVHSOBNGHWTEFD-CYBMUJFWSA-N 0 1 369.429 0.727 20 30 FCEDMN C#CCOCCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359384 1282474626 /nfs/dbraw/zinc/47/46/26/1282474626.db2.gz MTJADOGUMQFOPS-SFHVURJKSA-N 0 1 369.429 0.695 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588360029 1282476388 /nfs/dbraw/zinc/47/63/88/1282476388.db2.gz GGKNZQDNAVKWGT-KGLIPLIRSA-N 0 1 369.429 0.230 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361012 1282480400 /nfs/dbraw/zinc/48/04/00/1282480400.db2.gz BBMTYJGAARQUAT-ZDUSSCGKSA-N 0 1 357.418 0.551 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)cn1 ZINC001588365193 1282491621 /nfs/dbraw/zinc/49/16/21/1282491621.db2.gz UJUXRQPCBZGUKE-LBPRGKRZSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C(C)[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403277 1282499466 /nfs/dbraw/zinc/49/94/66/1282499466.db2.gz ZEVULJIEFGSCGT-ZDUSSCGKSA-N 0 1 374.449 0.923 20 30 FCEDMN C=C(C)CCC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001588412502 1282501586 /nfs/dbraw/zinc/50/15/86/1282501586.db2.gz WJCDPBIMOQJUEY-UHFFFAOYSA-N 0 1 371.445 0.805 20 30 FCEDMN C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588418122 1282505755 /nfs/dbraw/zinc/50/57/55/1282505755.db2.gz RNZONDXGHJPWLR-SFHVURJKSA-N 0 1 371.445 0.984 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588483714 1282520685 /nfs/dbraw/zinc/52/06/85/1282520685.db2.gz PUXOIVSEFSBNNE-QGZVFWFLSA-N 0 1 372.433 0.316 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588499509 1282528804 /nfs/dbraw/zinc/52/88/04/1282528804.db2.gz JDJUUNJHHDPPRO-BZNIZROVSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588499509 1282528813 /nfs/dbraw/zinc/52/88/13/1282528813.db2.gz JDJUUNJHHDPPRO-BZNIZROVSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588500281 1282532126 /nfs/dbraw/zinc/53/21/26/1282532126.db2.gz UUNWMTHIYIMHQH-ACJLOTCBSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588500925 1282533386 /nfs/dbraw/zinc/53/33/86/1282533386.db2.gz GRALYIHDXMETGX-JKSUJKDBSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588504948 1282546163 /nfs/dbraw/zinc/54/61/63/1282546163.db2.gz MYMQMJJTSVEDOP-SJCJKPOMSA-N 0 1 357.418 0.531 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001588505409 1282546919 /nfs/dbraw/zinc/54/69/19/1282546919.db2.gz QFHGGNONLMUJAY-QGZVFWFLSA-N 0 1 371.445 0.852 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588519331 1282555615 /nfs/dbraw/zinc/55/56/15/1282555615.db2.gz XTMQQEOEKPXORR-QWHCGFSZSA-N 0 1 359.434 0.517 20 30 FCEDMN C=CC[C@@H](C(=O)OC)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588532236 1282560095 /nfs/dbraw/zinc/56/00/95/1282560095.db2.gz QDODORZVSAICDB-LBPRGKRZSA-N 0 1 373.417 0.972 20 30 FCEDMN C=CCCCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588588076 1282575458 /nfs/dbraw/zinc/57/54/58/1282575458.db2.gz CKRRMUHWMRIIPQ-ZDUSSCGKSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588587064 1282576684 /nfs/dbraw/zinc/57/66/84/1282576684.db2.gz QJIVHEIPVIXIRO-GDBMZVCRSA-N 0 1 371.445 0.982 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588610331 1282587299 /nfs/dbraw/zinc/58/72/99/1282587299.db2.gz BJNXMYJJRATNBJ-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609451 1282588319 /nfs/dbraw/zinc/58/83/19/1282588319.db2.gz XHHCJHPHUXPJSM-STQMWFEESA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001588611106 1282589580 /nfs/dbraw/zinc/58/95/80/1282589580.db2.gz QWPITPUJCPBRJI-DZGCQCFKSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588627660 1282601107 /nfs/dbraw/zinc/60/11/07/1282601107.db2.gz DWZNJBWTOWZIIQ-QWRGUYRKSA-N 0 1 360.378 0.152 20 30 FCEDMN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588627658 1282602057 /nfs/dbraw/zinc/60/20/57/1282602057.db2.gz DWZNJBWTOWZIIQ-GHMZBOCLSA-N 0 1 360.378 0.152 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCC(COC)CC1 ZINC001588699820 1282654571 /nfs/dbraw/zinc/65/45/71/1282654571.db2.gz OECJXCMBUYSYMX-UHFFFAOYSA-N 0 1 370.421 0.897 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001588709549 1282656236 /nfs/dbraw/zinc/65/62/36/1282656236.db2.gz UPBPHCMRAWNGAC-VXGBXAGGSA-N 0 1 369.437 0.766 20 30 FCEDMN C=CCn1cc(C(=O)NCCCN(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001588713885 1282660569 /nfs/dbraw/zinc/66/05/69/1282660569.db2.gz XPISTHJETXCKIL-UHFFFAOYSA-N 0 1 368.405 0.296 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588718532 1282664983 /nfs/dbraw/zinc/66/49/83/1282664983.db2.gz MUTZZTFYKWQZDM-CJNGLKHVSA-N 0 1 371.445 0.844 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588738574 1282678208 /nfs/dbraw/zinc/67/82/08/1282678208.db2.gz YIRJYLYOUOWQCH-CYBMUJFWSA-N 0 1 354.418 0.887 20 30 FCEDMN CC#CCCCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588740575 1282682160 /nfs/dbraw/zinc/68/21/60/1282682160.db2.gz SAFYYPXSEUTLRV-QGZVFWFLSA-N 0 1 354.418 0.935 20 30 FCEDMN CN(C)c1ccnc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001638389617 1282692257 /nfs/dbraw/zinc/69/22/57/1282692257.db2.gz FXEQWTBZQQLOBA-UHFFFAOYSA-N 0 1 373.438 0.614 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589384191 1282857892 /nfs/dbraw/zinc/85/78/92/1282857892.db2.gz CDKXEAQZNJSXOS-CYBMUJFWSA-N 0 1 354.418 0.743 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001589380113 1282858034 /nfs/dbraw/zinc/85/80/34/1282858034.db2.gz MRQWLGFHAVXANL-KGLIPLIRSA-N 0 1 353.430 0.992 20 30 FCEDMN CC(C)C#CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001589389845 1282871937 /nfs/dbraw/zinc/87/19/37/1282871937.db2.gz PIVCNOGXTYHKOC-ZIAGYGMSSA-N 0 1 368.445 0.895 20 30 FCEDMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C#CC1CC1 ZINC001590210326 1283336493 /nfs/dbraw/zinc/33/64/93/1283336493.db2.gz SOBWOQHBFSICAM-OCCSQVGLSA-N 0 1 351.414 0.888 20 30 FCEDMN C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C[C@H](C)N1CC#N ZINC001590313699 1283458361 /nfs/dbraw/zinc/45/83/61/1283458361.db2.gz PQHSITJNZXAKTQ-AOOOYVTPSA-N 0 1 367.460 0.535 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC001681433068 1283495359 /nfs/dbraw/zinc/49/53/59/1283495359.db2.gz BVFUULAUDKHTHP-MELADBBJSA-N 0 1 367.450 0.111 20 30 FCEDMN CCCC[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C#CC1CC1 ZINC001590581002 1283617863 /nfs/dbraw/zinc/61/78/63/1283617863.db2.gz FSKGQUZYUGXETG-CYBMUJFWSA-N 0 1 354.418 0.579 20 30 FCEDMN CCCCNC(=O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001590602965 1283629962 /nfs/dbraw/zinc/62/99/62/1283629962.db2.gz XTEIGOHFBSRWGJ-LLVKDONJSA-N 0 1 355.406 0.661 20 30 FCEDMN CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N ZINC001590758722 1283819293 /nfs/dbraw/zinc/81/92/93/1283819293.db2.gz YJRFTNRKWQBHNH-NSHDSACASA-N 0 1 372.389 0.188 20 30 FCEDMN CN(CCCCNc1ccnc(-c2nn[nH]n2)n1)c1ccnc(C#N)n1 ZINC001591065237 1284126477 /nfs/dbraw/zinc/12/64/77/1284126477.db2.gz IKHRKYSWUSDMST-UHFFFAOYSA-N 0 1 351.378 0.069 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001591217300 1284355372 /nfs/dbraw/zinc/35/53/72/1284355372.db2.gz MEOKFGODTYQKDZ-UHFFFAOYSA-N 0 1 351.374 0.866 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001591217300 1284355380 /nfs/dbraw/zinc/35/53/80/1284355380.db2.gz MEOKFGODTYQKDZ-UHFFFAOYSA-N 0 1 351.374 0.866 20 30 FCEDMN C[NH+](C)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)c1ccccc1 ZINC001604671722 1287720657 /nfs/dbraw/zinc/72/06/57/1287720657.db2.gz MBHRQYKAEYHHOD-CQSZACIVSA-N 0 1 365.401 0.354 20 30 FCEDMN CN(C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001604670837 1287722456 /nfs/dbraw/zinc/72/24/56/1287722456.db2.gz VZGILEKPXFFZQG-UHFFFAOYSA-N 0 1 365.357 0.275 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CNC/C=C\CNC(=O)[C@H](C)C#N ZINC001591562409 1284734654 /nfs/dbraw/zinc/73/46/54/1284734654.db2.gz IOCXYKGPMQAGQA-VSQXVHSFSA-N 0 1 355.402 0.797 20 30 FCEDMN COc1cccc(C#CCOC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)c1 ZINC001591632580 1284772521 /nfs/dbraw/zinc/77/25/21/1284772521.db2.gz XKFDMKSCNFHSOZ-LLVKDONJSA-N 0 1 353.342 0.623 20 30 FCEDMN COc1cccc(C(=O)NCCNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001591632706 1284773937 /nfs/dbraw/zinc/77/39/37/1284773937.db2.gz QGHFLUVUEZECRP-UHFFFAOYSA-N 0 1 365.357 0.379 20 30 FCEDMN C[C@@H](NC(=O)C#CC1CC1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001591727460 1284860055 /nfs/dbraw/zinc/86/00/55/1284860055.db2.gz YUKNMDWKKAAIEH-GFCCVEGCSA-N 0 1 366.429 0.791 20 30 FCEDMN Cc1c(C=NNCCO)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC001591817532 1284925253 /nfs/dbraw/zinc/92/52/53/1284925253.db2.gz GKCPHLHOZYWXAF-UHFFFAOYSA-N 0 1 352.358 0.185 20 30 FCEDMN Cc1cc(N2CCOC[C@@H]2CNC(=O)C#CC(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592009460 1285057013 /nfs/dbraw/zinc/05/70/13/1285057013.db2.gz YIUUYGWUVKEPMW-AWEZNQCLSA-N 0 1 369.429 0.551 20 30 FCEDMN Cc1cc(N[C@H](CNC(=O)C#CC(C)C)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592033710 1285079373 /nfs/dbraw/zinc/07/93/73/1285079373.db2.gz FPBLOPBQCMHDIB-MRXNPFEDSA-N 0 1 353.430 0.958 20 30 FCEDMN CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001604728975 1287759231 /nfs/dbraw/zinc/75/92/31/1287759231.db2.gz IWGIGTJZQARWFR-CQSZACIVSA-N 0 1 366.429 0.745 20 30 FCEDMN Cc1cc(NC2CC(CNC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036138 1285080853 /nfs/dbraw/zinc/08/08/53/1285080853.db2.gz LVJICCXXFSXHIX-UHFFFAOYSA-N 0 1 351.414 0.712 20 30 FCEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC001592671909 1285567493 /nfs/dbraw/zinc/56/74/93/1285567493.db2.gz RQBLFGNYQLQBSK-WPRPVWTQSA-N 0 1 364.316 0.701 20 30 FCEDMN N#CCSCC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001592679062 1285574761 /nfs/dbraw/zinc/57/47/61/1285574761.db2.gz DSQFHLHZEFYVKG-UHFFFAOYSA-N 0 1 363.472 0.923 20 30 FCEDMN N#CCSCC(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592678965 1285575317 /nfs/dbraw/zinc/57/53/17/1285575317.db2.gz BGSZWVQXFRLPNP-UHFFFAOYSA-N 0 1 373.446 0.175 20 30 FCEDMN N#CCSCC(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592680192 1285579727 /nfs/dbraw/zinc/57/97/27/1285579727.db2.gz HZRKTZWVPUYXCA-GFCCVEGCSA-N 0 1 372.458 0.591 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001592683938 1285581445 /nfs/dbraw/zinc/58/14/45/1285581445.db2.gz IEZRBYKVTMBVAM-JTQLQIEISA-N 0 1 357.378 0.671 20 30 FCEDMN N#Cc1ncc(NCc2ccnc(N3CCOCC3)c2)nc1-c1nn[nH]n1 ZINC001592708680 1285593300 /nfs/dbraw/zinc/59/33/00/1285593300.db2.gz IMHJBMZRZAUNQJ-UHFFFAOYSA-N 0 1 364.373 0.372 20 30 FCEDMN N#Cc1ncc(NCCCS(=O)(=O)c2ccccc2)nc1-c1nn[nH]n1 ZINC001592710621 1285595454 /nfs/dbraw/zinc/59/54/54/1285595454.db2.gz RJMJQWGOQJOWIL-UHFFFAOYSA-N 0 1 370.398 0.804 20 30 FCEDMN N#Cc1ncc(N2Cc3cccnc3N3CCC[C@@H]3C2)nc1-c1nn[nH]n1 ZINC001592710216 1285595846 /nfs/dbraw/zinc/59/58/46/1285595846.db2.gz LBROOCGZOSSGKT-GFCCVEGCSA-N 0 1 360.385 0.912 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001592767358 1285691063 /nfs/dbraw/zinc/69/10/63/1285691063.db2.gz BKWKMAOUBVKOGE-QMMMGPOBSA-N 0 1 367.822 0.279 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592768319 1285693714 /nfs/dbraw/zinc/69/37/14/1285693714.db2.gz HQZQIQYSNURDJR-AWEZNQCLSA-N 0 1 366.429 0.935 20 30 FCEDMN CNC(NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1)=[NH+]C ZINC001609285953 1289051071 /nfs/dbraw/zinc/05/10/71/1289051071.db2.gz GBBLAVNTEFGMJX-UHFFFAOYSA-N 0 1 354.422 0.362 20 30 FCEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN2CCC1CC2 ZINC001593681233 1286211503 /nfs/dbraw/zinc/21/15/03/1286211503.db2.gz DEZGTQOUFZSQNB-WBMJQRKESA-N 0 1 362.455 0.435 20 30 FCEDMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001596894626 1286317803 /nfs/dbraw/zinc/31/78/03/1286317803.db2.gz PHLJNODIPUGUDK-UHFFFAOYSA-N 0 1 365.353 0.026 20 30 FCEDMN N#CC[C@H](NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)C(F)(F)F ZINC001601062084 1286624444 /nfs/dbraw/zinc/62/44/44/1286624444.db2.gz MGAWWLOGAPCYMF-GWCFXTLKSA-N 0 1 364.324 0.402 20 30 FCEDMN N#Cc1ccc(N2CC[NH+]([C@H]3CCCN(CCC(=O)[O-])C3=O)CC2)cn1 ZINC001601106631 1286635465 /nfs/dbraw/zinc/63/54/65/1286635465.db2.gz ZTRHKXKEJGLTLL-INIZCTEOSA-N 0 1 357.414 0.541 20 30 FCEDMN N#Cc1ccc(OCCC[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])cc1 ZINC001601109830 1286636753 /nfs/dbraw/zinc/63/67/53/1286636753.db2.gz OCYFHCGHGHCHTI-ZFWWWQNUSA-N 0 1 372.381 0.406 20 30 FCEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001602697588 1287060290 /nfs/dbraw/zinc/06/02/90/1287060290.db2.gz OOAPKRNYWCBCOU-OCCSQVGLSA-N 0 1 350.386 0.770 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602702238 1287064461 /nfs/dbraw/zinc/06/44/61/1287064461.db2.gz DGFDFJCAIYBPAC-SFHVURJKSA-N 0 1 369.429 0.253 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602716334 1287073380 /nfs/dbraw/zinc/07/33/80/1287073380.db2.gz CZCOQSDROXWNJV-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602716334 1287073387 /nfs/dbraw/zinc/07/33/87/1287073387.db2.gz CZCOQSDROXWNJV-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CCN1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@@H](C)O2 ZINC001602721411 1287077137 /nfs/dbraw/zinc/07/71/37/1287077137.db2.gz IJMOHDBIQVJRMU-SJKOYZFVSA-N 0 1 355.402 0.133 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602724199 1287082127 /nfs/dbraw/zinc/08/21/27/1287082127.db2.gz BWKYBFFVBPKACI-QWHCGFSZSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602726994 1287092614 /nfs/dbraw/zinc/09/26/14/1287092614.db2.gz JVSFAWDYVRNIGT-CYBMUJFWSA-N 0 1 357.418 0.551 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001602737500 1287099236 /nfs/dbraw/zinc/09/92/36/1287099236.db2.gz SVGWQJIUZSGMPQ-NSHDSACASA-N 0 1 363.385 0.075 20 30 FCEDMN C#Cc1ccc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001602736719 1287100167 /nfs/dbraw/zinc/10/01/67/1287100167.db2.gz FWXPHHYIVCHYLU-UHFFFAOYSA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c1 ZINC001602742263 1287101451 /nfs/dbraw/zinc/10/14/51/1287101451.db2.gz AADIIOYQQJHCKV-QGZVFWFLSA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1cccc(NC(=O)NC(=O)CN2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001602742862 1287103613 /nfs/dbraw/zinc/10/36/13/1287103613.db2.gz ALFPELWITCQEIE-AWEZNQCLSA-N 0 1 372.425 0.797 20 30 FCEDMN C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001602756131 1287104336 /nfs/dbraw/zinc/10/43/36/1287104336.db2.gz DHGOMYTVKJZYDA-GFCCVEGCSA-N 0 1 360.422 0.269 20 30 FCEDMN C=C(C)CN(CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CCOC ZINC001602762793 1287107782 /nfs/dbraw/zinc/10/77/82/1287107782.db2.gz ISDDRJFVUZGQOK-UHFFFAOYSA-N 0 1 358.410 0.897 20 30 FCEDMN 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C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2ccccc2-c2cn[nH]n2)CC1 ZINC001575177152 1271765630 /nfs/dbraw/zinc/76/56/30/1271765630.db2.gz KAVBPLHABZVQRK-LBPRGKRZSA-N 0 1 352.398 0.939 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575178611 1271768219 /nfs/dbraw/zinc/76/82/19/1271768219.db2.gz PNKWNBJTKQMRJA-AAEUAGOBSA-N 0 1 353.386 0.699 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@H](C)NC(=O)c1ccc(OCc2c[nH]nn2)cc1 ZINC001575180169 1271769551 /nfs/dbraw/zinc/76/95/51/1271769551.db2.gz ZYELTXJPGQRTDX-NEPJUHHUSA-N 0 1 356.386 0.778 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CCCc1c[nH]nn1 ZINC001575246554 1271849806 /nfs/dbraw/zinc/84/98/06/1271849806.db2.gz NMUJWNHASZYCKT-HNNXBMFYSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CCCc1cnn[nH]1 ZINC001575246554 1271849816 /nfs/dbraw/zinc/84/98/16/1271849816.db2.gz NMUJWNHASZYCKT-HNNXBMFYSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@H](CNC(=O)CCOCc1c[nH]nn1)C1CC1 ZINC001575245668 1271850451 /nfs/dbraw/zinc/85/04/51/1271850451.db2.gz GWOKPHSHOGIODJ-OAHLLOKOSA-N 0 1 361.446 0.772 20 30 FCEDMN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575313100 1271904577 /nfs/dbraw/zinc/90/45/77/1271904577.db2.gz DEPJSCVBXKDAGE-VHSXEESVSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)C#CC(=O)NC1CN(C(=O)c2cccnc2OCc2c[nH]nn2)C1 ZINC001575317618 1271916123 /nfs/dbraw/zinc/91/61/23/1271916123.db2.gz BXFVOKHEUVILGH-UHFFFAOYSA-N 0 1 368.397 0.379 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575317922 1271918867 /nfs/dbraw/zinc/91/88/67/1271918867.db2.gz CZBLOJHVEFMXRP-HNNXBMFYSA-N 0 1 352.398 0.857 20 30 FCEDMN CC(C)C#CC(=O)NCCN1CCN(C(=O)CCCc2c[nH]nn2)CC1 ZINC001575318824 1271919219 /nfs/dbraw/zinc/91/92/19/1271919219.db2.gz RFQRWTRJAZGSAQ-UHFFFAOYSA-N 0 1 360.462 0.047 20 30 FCEDMN CC(C)C#CC(=O)NCCN1CCN(C(=O)CCCc2cnn[nH]2)CC1 ZINC001575318824 1271919240 /nfs/dbraw/zinc/91/92/40/1271919240.db2.gz RFQRWTRJAZGSAQ-UHFFFAOYSA-N 0 1 360.462 0.047 20 30 FCEDMN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575329556 1271943052 /nfs/dbraw/zinc/94/30/52/1271943052.db2.gz BJXBDFGDLSNTKU-NXEZZACHSA-N 0 1 351.374 0.502 20 30 FCEDMN C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575618957 1272238010 /nfs/dbraw/zinc/23/80/10/1272238010.db2.gz FUOPGJABAJVNHR-CJNGLKHVSA-N 0 1 368.445 0.995 20 30 FCEDMN C[C@H](NC(=O)CCCCc1cn[nH]n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001575637079 1272245500 /nfs/dbraw/zinc/24/55/00/1272245500.db2.gz VALREBCZQSMSTJ-LBPRGKRZSA-N 0 1 369.429 0.994 20 30 FCEDMN CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CNC[C@@H]2C#N)s1 ZINC001575670755 1272282664 /nfs/dbraw/zinc/28/26/64/1272282664.db2.gz NWHWQPNOOYFYJO-WDEREUQCSA-N 0 1 350.448 0.683 20 30 FCEDMN CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CNC[C@@H]2C#N)s1 ZINC001575670754 1272282882 /nfs/dbraw/zinc/28/28/82/1272282882.db2.gz NWHWQPNOOYFYJO-QWRGUYRKSA-N 0 1 350.448 0.683 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001575718120 1272366931 /nfs/dbraw/zinc/36/69/31/1272366931.db2.gz HVCSKBBXWDTOKI-BXUZGUMPSA-N 0 1 371.401 0.283 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC(NC(=O)CSCC#N)CC1 ZINC001575740672 1272410521 /nfs/dbraw/zinc/41/05/21/1272410521.db2.gz FHJWWYAZGUJOFN-NSHDSACASA-N 0 1 366.447 0.074 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 ZINC001575821321 1272480957 /nfs/dbraw/zinc/48/09/57/1272480957.db2.gz ABZPVTOSKOBFQZ-RISCZKNCSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H]1CN(C)c1ccnc(C#N)n1 ZINC001575825540 1272487603 /nfs/dbraw/zinc/48/76/03/1272487603.db2.gz IHMKDERYDXTOPV-JSGCOSHPSA-N 0 1 370.417 0.499 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@](C)(CNc1ccncc1C#N)C1CC1 ZINC001575838794 1272510152 /nfs/dbraw/zinc/51/01/52/1272510152.db2.gz GIBJETTTWIBJPK-KPZWWZAWSA-N 0 1 369.429 0.795 20 30 FCEDMN C[C@@H](NC(=O)[C@H](C)OCc1c[nH]nn1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575841072 1272511014 /nfs/dbraw/zinc/51/10/14/1272511014.db2.gz SJBODDZNXNXSSZ-MNOVXSKESA-N 0 1 371.401 0.186 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC1CN(Cc2cc(C#N)ccc2F)C1 ZINC001575848199 1272523748 /nfs/dbraw/zinc/52/37/48/1272523748.db2.gz RSWZSJWUXVLMNE-NSHDSACASA-N 0 1 358.377 0.721 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1 ZINC001575881033 1272545472 /nfs/dbraw/zinc/54/54/72/1272545472.db2.gz ZWOIHUDKIFQFAB-JMSVASOKSA-N 0 1 355.402 0.983 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC001575890690 1272550103 /nfs/dbraw/zinc/55/01/03/1272550103.db2.gz YQQMTHGMPDDJPX-MPESAESLSA-N 0 1 357.414 0.371 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001575889177 1272550562 /nfs/dbraw/zinc/55/05/62/1272550562.db2.gz OOUFNOKEYSLBGE-QZKOUSHUSA-N 0 1 368.401 0.298 20 30 FCEDMN C[C@]1(CNC(=O)CC#Cc2ccccc2)CN(Cc2c[nH]nn2)CCO1 ZINC001575972605 1272626422 /nfs/dbraw/zinc/62/64/22/1272626422.db2.gz GIFDSKJUUPVEAZ-IBGZPJMESA-N 0 1 353.426 0.954 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)CCCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036481 1272749161 /nfs/dbraw/zinc/74/91/61/1272749161.db2.gz BYSKTCBZYVFHSF-IAQYHMDHSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)CCCc2cnn[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036481 1272749168 /nfs/dbraw/zinc/74/91/68/1272749168.db2.gz BYSKTCBZYVFHSF-IAQYHMDHSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001576129015 1272927859 /nfs/dbraw/zinc/92/78/59/1272927859.db2.gz FQSJEJLZKRNCLC-JSGCOSHPSA-N 0 1 369.429 0.852 20 30 FCEDMN C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001576129015 1272927867 /nfs/dbraw/zinc/92/78/67/1272927867.db2.gz FQSJEJLZKRNCLC-JSGCOSHPSA-N 0 1 369.429 0.852 20 30 FCEDMN CCc1nc(C#N)cc(N(CC)CCNC(=O)CCCc2c[nH]nn2)n1 ZINC001576653738 1273508907 /nfs/dbraw/zinc/50/89/07/1273508907.db2.gz LBSIKKNMCPMYNN-UHFFFAOYSA-N 0 1 356.434 0.994 20 30 FCEDMN CCc1nc(C#N)cc(N(CC)CCNC(=O)CCCc2cnn[nH]2)n1 ZINC001576653738 1273508914 /nfs/dbraw/zinc/50/89/14/1273508914.db2.gz LBSIKKNMCPMYNN-UHFFFAOYSA-N 0 1 356.434 0.994 20 30 FCEDMN CN(CCNC(=O)CCOCc1c[nH]nn1)c1nc(C#N)c(Cl)s1 ZINC001576823076 1273746408 /nfs/dbraw/zinc/74/64/08/1273746408.db2.gz JIBCFVXZGYVTHI-UHFFFAOYSA-N 0 1 369.838 0.946 20 30 FCEDMN COCC#CCN(CCNC(=O)c1cncc(-c2c[nH]nn2)c1)C1CC1 ZINC001576952601 1273973511 /nfs/dbraw/zinc/97/35/11/1273973511.db2.gz IMYINFDAGGBURV-UHFFFAOYSA-N 0 1 354.414 0.711 20 30 FCEDMN C[C@@H](CCNC(=O)c1cncc(-c2cn[nH]n2)c1)NC(=O)CSCC#N ZINC001577128007 1274181512 /nfs/dbraw/zinc/18/15/12/1274181512.db2.gz KHKVNTIUYMWNCO-NSHDSACASA-N 0 1 373.442 0.748 20 30 FCEDMN Cc1cc(NC/C=C/CNC(=O)CCOCc2c[nH]nn2)c(C#N)cn1 ZINC001577342612 1274352779 /nfs/dbraw/zinc/35/27/79/1274352779.db2.gz ALDNQDCATZDDFF-NSCUHMNNSA-N 0 1 355.402 0.493 20 30 FCEDMN Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)CCCc2c[nH]nn2)n1 ZINC001577354598 1274366479 /nfs/dbraw/zinc/36/64/79/1274366479.db2.gz LLCRVSJIJDRUEA-MRXNPFEDSA-N 0 1 371.445 0.658 20 30 FCEDMN Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)CCCc2cnn[nH]2)n1 ZINC001577354598 1274366484 /nfs/dbraw/zinc/36/64/84/1274366484.db2.gz LLCRVSJIJDRUEA-MRXNPFEDSA-N 0 1 371.445 0.658 20 30 FCEDMN Cn1c2ccc(S(=O)(=O)N(CC#N)Cc3c[nH]nn3)cc2sc1=O ZINC001577644632 1274634270 /nfs/dbraw/zinc/63/42/70/1274634270.db2.gz XYMJGVLVMOBGDQ-UHFFFAOYSA-N 0 1 364.412 0.433 20 30 FCEDMN N#CCN1CCC2(CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)C2)CC1 ZINC001577706914 1274768079 /nfs/dbraw/zinc/76/80/79/1274768079.db2.gz YONCKKMLSWJJTL-UHFFFAOYSA-N 0 1 357.462 0.465 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CC2(CN(Cc3c[nH]nn3)C2)n2ccnc21 ZINC001577709988 1274769907 /nfs/dbraw/zinc/76/99/07/1274769907.db2.gz LAFPDPXMAXIHTP-LBPRGKRZSA-N 0 1 358.431 0.030 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CCCCCc3cn[nH]n3)C2)c1 ZINC001577709849 1274770438 /nfs/dbraw/zinc/77/04/38/1274770438.db2.gz FWMZTIUFDONIMS-UHFFFAOYSA-N 0 1 355.402 0.748 20 30 FCEDMN N#CCSCC(=O)NC1CCN(C(=O)CCCc2c[nH]nn2)CC1 ZINC001577709842 1274770545 /nfs/dbraw/zinc/77/05/45/1274770545.db2.gz FPFHZSQXYXYFTP-UHFFFAOYSA-N 0 1 350.448 0.491 20 30 FCEDMN N#CCSCC(=O)NC1CCN(C(=O)CCCc2cnn[nH]2)CC1 ZINC001577709842 1274770550 /nfs/dbraw/zinc/77/05/50/1274770550.db2.gz FPFHZSQXYXYFTP-UHFFFAOYSA-N 0 1 350.448 0.491 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)CCOCc3c[nH]nn3)C2)c1 ZINC001577712104 1274770955 /nfs/dbraw/zinc/77/09/55/1274770955.db2.gz AJKFLIUUJYXBIP-AULYBMBSSA-N 0 1 371.401 0.236 20 30 FCEDMN N#CCNC[C@@H]1CN(C(=O)Cc2ccccc2-c2cn[nH]n2)CCCO1 ZINC001577710154 1274771686 /nfs/dbraw/zinc/77/16/86/1274771686.db2.gz QRHWSXVUTLIFKC-OAHLLOKOSA-N 0 1 354.414 0.745 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)[nH]1 ZINC001577712593 1274774505 /nfs/dbraw/zinc/77/45/05/1274774505.db2.gz RPORRJKCWMSCDZ-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)[nH]1 ZINC001577712593 1274774512 /nfs/dbraw/zinc/77/45/12/1274774512.db2.gz RPORRJKCWMSCDZ-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1ccc(NC[C@H]2CN(C(=O)CCOCc3c[nH]nn3)CCO2)cn1 ZINC001577714913 1274774548 /nfs/dbraw/zinc/77/45/48/1274774548.db2.gz BKNHNBWFXGNUCQ-INIZCTEOSA-N 0 1 371.401 0.318 20 30 FCEDMN N#Cc1ccc(NC2CCN(C(=O)CCOCc3c[nH]nn3)CC2)nn1 ZINC001577714897 1274775520 /nfs/dbraw/zinc/77/55/20/1274775520.db2.gz APWCAKWNOJQAGV-UHFFFAOYSA-N 0 1 356.390 0.476 20 30 FCEDMN N#Cc1cnccc1NC1CCC(NC(=O)CCOCc2c[nH]nn2)CC1 ZINC001577719153 1274781683 /nfs/dbraw/zinc/78/16/83/1274781683.db2.gz KUBQJBSCBIDASF-UHFFFAOYSA-N 0 1 369.429 0.939 20 30 FCEDMN N#Cc1cnc(N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)c(F)c1 ZINC001577718916 1274781980 /nfs/dbraw/zinc/78/19/80/1274781980.db2.gz AWEUKGDESBBKQJ-LBPRGKRZSA-N 0 1 359.365 0.830 20 30 FCEDMN N#Cc1cnc(N2CCC(CNC(=O)CCOCc3c[nH]nn3)CC2)cn1 ZINC001577719080 1274783098 /nfs/dbraw/zinc/78/30/98/1274783098.db2.gz HZAKORUHTRFYMK-UHFFFAOYSA-N 0 1 370.417 0.406 20 30 FCEDMN N#Cc1nccnc1N1CCO[C@H](CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001577719319 1274783236 /nfs/dbraw/zinc/78/32/36/1274783236.db2.gz PRTLTWDHJJHUDG-CQSZACIVSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1cnccc1NC1(CNC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001577719571 1274785776 /nfs/dbraw/zinc/78/57/76/1274785776.db2.gz WJKNOGZKSYCXQQ-UHFFFAOYSA-N 0 1 360.381 0.930 20 30 FCEDMN O=C(CCOCc1c[nH]nn1)NC1CN(C(=O)CC#Cc2ccccc2)C1 ZINC001577881743 1275080045 /nfs/dbraw/zinc/08/00/45/1275080045.db2.gz LLURDRSMXKSCDL-UHFFFAOYSA-N 0 1 367.409 0.480 20 30 FCEDMN CN1C(=O)NCC12CCN(C(=O)[C@H]1NCCc3cc(C#N)ccc31)CC2 ZINC001578515967 1275952987 /nfs/dbraw/zinc/95/29/87/1275952987.db2.gz VXXVXSCHJUFJJI-INIZCTEOSA-N 0 1 353.426 0.761 20 30 FCEDMN CN(C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)C1(C#N)CCCCC1 ZINC001578887235 1276420846 /nfs/dbraw/zinc/42/08/46/1276420846.db2.gz YSKTZKQWMDCOGL-UHFFFAOYSA-N 0 1 359.350 0.656 20 30 FCEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578992034 1276566051 /nfs/dbraw/zinc/56/60/51/1276566051.db2.gz JTGMUFSAGIFWDS-UHFFFAOYSA-N 0 1 374.412 0.968 20 30 FCEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578992034 1276566057 /nfs/dbraw/zinc/56/60/57/1276566057.db2.gz JTGMUFSAGIFWDS-UHFFFAOYSA-N 0 1 374.412 0.968 20 30 FCEDMN CN(CC[NH+]1CC2(C1)CCOCC2)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579163301 1276911832 /nfs/dbraw/zinc/91/18/32/1276911832.db2.gz GLHGZFZAGMILIU-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN CN(CCc1cccc(C#N)c1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001579232286 1277038697 /nfs/dbraw/zinc/03/86/97/1277038697.db2.gz VTAMTASUMHRHQK-UHFFFAOYSA-N 0 1 366.389 0.214 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC001579286758 1277110503 /nfs/dbraw/zinc/11/05/03/1277110503.db2.gz OHVHMYZBEXUNSW-ZDUSSCGKSA-N 0 1 361.369 0.770 20 30 FCEDMN COC(=O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)Cc2ccccc21 ZINC001579446609 1277332804 /nfs/dbraw/zinc/33/28/04/1277332804.db2.gz MXUULSVQXSQGKD-GFCCVEGCSA-N 0 1 362.353 0.805 20 30 FCEDMN COC(=O)c1cccc2c1CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 ZINC001579487198 1277397591 /nfs/dbraw/zinc/39/75/91/1277397591.db2.gz AWYVECPBHLZTCZ-UHFFFAOYSA-N 0 1 362.353 0.878 20 30 FCEDMN Cc1ccc(NC(=O)C2CCN(C(=O)N[C@@H]3CNC[C@@H]3C#N)CC2)nc1 ZINC001579715483 1277818620 /nfs/dbraw/zinc/81/86/20/1277818620.db2.gz SWFDIOGGTCKJIJ-LSDHHAIUSA-N 0 1 356.430 0.862 20 30 FCEDMN Cc1cccc([C@H](CNC(=O)N[C@H]2CNC[C@H]2C#N)N2CCOCC2)c1 ZINC001579751078 1277862309 /nfs/dbraw/zinc/86/23/09/1277862309.db2.gz DQWKKSRHMGOYIA-SQNIBIBYSA-N 0 1 357.458 0.779 20 30 FCEDMN N#C[C@H]1CN(C(=O)[C@@H](N)CC(=O)OCc2ccccc2)CCN1C1CC1 ZINC001580041820 1277997230 /nfs/dbraw/zinc/99/72/30/1277997230.db2.gz IEQAGWYASTUJTN-IRXDYDNUSA-N 0 1 356.426 0.646 20 30 FCEDMN Cc1cc(N[C@H](C)CCNC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990912 1279193782 /nfs/dbraw/zinc/19/37/82/1279193782.db2.gz KGKOHNVTRPGJOD-SNVBAGLBSA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cc(NC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581020441 1279250960 /nfs/dbraw/zinc/25/09/60/1279250960.db2.gz IGRGPQPKMHSUIM-AAEUAGOBSA-N 0 1 354.418 0.945 20 30 FCEDMN Cc1cc(NCCCOCCNC(=O)[C@@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027414 1279260650 /nfs/dbraw/zinc/26/06/50/1279260650.db2.gz QVACKYXKGDDKMP-NSHDSACASA-N 0 1 358.406 0.087 20 30 FCEDMN Cc1cc(NCCCOCCNC(=O)[C@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027413 1279261099 /nfs/dbraw/zinc/26/10/99/1279261099.db2.gz QVACKYXKGDDKMP-LLVKDONJSA-N 0 1 358.406 0.087 20 30 FCEDMN Cc1nc(CN2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)oc1C ZINC001581450846 1279977238 /nfs/dbraw/zinc/97/72/38/1279977238.db2.gz NLGRJZLHUSDXOK-UHFFFAOYSA-N 0 1 366.389 0.455 20 30 FCEDMN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1ccncc1-c1nn[nH]n1 ZINC001603541707 1287416320 /nfs/dbraw/zinc/41/63/20/1287416320.db2.gz SXUAIWGBNJHXOF-JTQLQIEISA-N 0 1 351.374 0.361 20 30 FCEDMN N#Cc1c(NCc2nc(-c3nn[nH]n3)cs2)n[nH]c1N1CCOCC1 ZINC001581860932 1280612752 /nfs/dbraw/zinc/61/27/52/1280612752.db2.gz AAOMGEPKGCCXIL-UHFFFAOYSA-N 0 1 358.391 0.367 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)[nH]1 ZINC001581867704 1280622296 /nfs/dbraw/zinc/62/22/96/1280622296.db2.gz RXMZYOPDDVLODM-UHFFFAOYSA-N 0 1 363.385 0.648 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001581867641 1280623864 /nfs/dbraw/zinc/62/38/64/1280623864.db2.gz PRNQMRMTCYMYME-UHFFFAOYSA-N 0 1 362.397 0.928 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)[nH]1 ZINC001581867739 1280624002 /nfs/dbraw/zinc/62/40/02/1280624002.db2.gz UBKHZJAIDFJLRV-HNNXBMFYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ncc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581882168 1280643383 /nfs/dbraw/zinc/64/33/83/1280643383.db2.gz NOMYYNPVUKTYIJ-KRWDZBQOSA-N 0 1 361.369 0.162 20 30 FCEDMN N#Cc1ncc(N[C@H]2CC(=O)N(c3ccccc3F)C2)nc1-c1nn[nH]n1 ZINC001581882585 1280644606 /nfs/dbraw/zinc/64/46/06/1280644606.db2.gz DHFZQDOKWRGUNT-VIFPVBQESA-N 0 1 365.332 0.885 20 30 FCEDMN N#Cc1ncc(N[C@H](Cc2ccc(Cl)cc2)C(N)=O)nc1-c1nn[nH]n1 ZINC001581882907 1280645260 /nfs/dbraw/zinc/64/52/60/1280645260.db2.gz LHGHGHKCDHAGDZ-SNVBAGLBSA-N 0 1 369.776 0.690 20 30 FCEDMN CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603784223 1287494619 /nfs/dbraw/zinc/49/46/19/1287494619.db2.gz CUWJGHVUTRTFFB-AWEZNQCLSA-N 0 1 364.446 0.392 20 30 FCEDMN CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603784223 1287494621 /nfs/dbraw/zinc/49/46/21/1287494621.db2.gz CUWJGHVUTRTFFB-AWEZNQCLSA-N 0 1 364.446 0.392 20 30 FCEDMN C#CCCS(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588347232 1282442948 /nfs/dbraw/zinc/44/29/48/1282442948.db2.gz KKZXMHYVCKLOJH-UHFFFAOYSA-N 0 1 362.459 0.583 20 30 FCEDMN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588348372 1282443052 /nfs/dbraw/zinc/44/30/52/1282443052.db2.gz SLZREYFQOKEZED-TZMCWYRMSA-N 0 1 366.429 0.743 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588354873 1282450726 /nfs/dbraw/zinc/45/07/26/1282450726.db2.gz BTBOQLLTYPBDNC-ABAIWWIYSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588357646 1282466822 /nfs/dbraw/zinc/46/68/22/1282466822.db2.gz ODYKFTWCVDTQMF-RXNFCKPNSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588357646 1282466824 /nfs/dbraw/zinc/46/68/24/1282466824.db2.gz ODYKFTWCVDTQMF-RXNFCKPNSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588358350 1282468166 /nfs/dbraw/zinc/46/81/66/1282468166.db2.gz QVZJSZHWZMADLA-ZIAGYGMSSA-N 0 1 369.429 0.585 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588359245 1282473438 /nfs/dbraw/zinc/47/34/38/1282473438.db2.gz ZVWBOXXDJJBTHP-BLLLJJGKSA-N 0 1 369.429 0.371 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588359249 1282474534 /nfs/dbraw/zinc/47/45/34/1282474534.db2.gz ZVWBOXXDJJBTHP-WBMJQRKESA-N 0 1 369.429 0.371 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001588360012 1282476009 /nfs/dbraw/zinc/47/60/09/1282476009.db2.gz FUGTVMMXFPFTSX-AWEZNQCLSA-N 0 1 369.429 0.374 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588360802 1282481322 /nfs/dbraw/zinc/48/13/22/1282481322.db2.gz WBOLGKVRNSCARF-LRDDRELGSA-N 0 1 369.429 0.291 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588361288 1282482123 /nfs/dbraw/zinc/48/21/23/1282482123.db2.gz JLCCHKVOCLLOHW-OAHLLOKOSA-N 0 1 355.402 0.030 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001588361502 1282484066 /nfs/dbraw/zinc/48/40/66/1282484066.db2.gz ORDFVIQDCXGHCL-MRXNPFEDSA-N 0 1 369.429 0.339 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001588362819 1282488718 /nfs/dbraw/zinc/48/87/18/1282488718.db2.gz WHMXJPULOSUSCF-IUODEOHRSA-N 0 1 369.429 0.551 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001588367846 1282493184 /nfs/dbraw/zinc/49/31/84/1282493184.db2.gz ODIZSMDWTOTEQI-CQSZACIVSA-N 0 1 360.381 0.647 20 30 FCEDMN C=C1CCC(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588461860 1282510336 /nfs/dbraw/zinc/51/03/36/1282510336.db2.gz VVGHRXUVSKWSMF-CQSZACIVSA-N 0 1 371.445 0.627 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588475497 1282516587 /nfs/dbraw/zinc/51/65/87/1282516587.db2.gz PEGBVEZUOJXBPC-SFHVURJKSA-N 0 1 371.445 0.840 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588475220 1282517773 /nfs/dbraw/zinc/51/77/73/1282517773.db2.gz KKGVIUQHQIJUNN-LBPRGKRZSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588495351 1282521864 /nfs/dbraw/zinc/52/18/64/1282521864.db2.gz CLXAEAGHUTUAOJ-INIZCTEOSA-N 0 1 372.433 0.368 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588491399 1282522413 /nfs/dbraw/zinc/52/24/13/1282522413.db2.gz GPKLMVVSSGOTGA-ACJLOTCBSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588495657 1282527137 /nfs/dbraw/zinc/52/71/37/1282527137.db2.gz HRCAQWJTFVMGHJ-YVEFUNNKSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588501093 1282535006 /nfs/dbraw/zinc/53/50/06/1282535006.db2.gz JJEXVOYUKNIKAN-YVEFUNNKSA-N 0 1 374.449 0.349 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588501666 1282538387 /nfs/dbraw/zinc/53/83/87/1282538387.db2.gz NQYRLPVYTXFAAE-KRWDZBQOSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588503792 1282542313 /nfs/dbraw/zinc/54/23/13/1282542313.db2.gz FTIHFWDGSLIWIK-LXIYXOSZSA-N 0 1 371.445 0.626 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001588507065 1282547893 /nfs/dbraw/zinc/54/78/93/1282547893.db2.gz APKNOXALUVPPIQ-QLQJRFMMSA-N 0 1 370.417 0.210 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588521547 1282556390 /nfs/dbraw/zinc/55/63/90/1282556390.db2.gz PHZQXAUBIXUBMU-FRRDWIJNSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CCC[C@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588577292 1282571825 /nfs/dbraw/zinc/57/18/25/1282571825.db2.gz FSLJAPIISZJQCD-LBPRGKRZSA-N 0 1 359.434 0.716 20 30 FCEDMN C=CCC[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588579329 1282573222 /nfs/dbraw/zinc/57/32/22/1282573222.db2.gz LWEYYQGDKKGKMS-VIFPVBQESA-N 0 1 368.375 0.380 20 30 FCEDMN C=CCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588588109 1282577236 /nfs/dbraw/zinc/57/72/36/1282577236.db2.gz DGOUZLKAGHCQOB-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608226 1282583628 /nfs/dbraw/zinc/58/36/28/1282583628.db2.gz HVNLDZWGQMABJC-HIFPTAJRSA-N 0 1 372.433 0.367 20 30 FCEDMN C=CCCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001588609293 1282588003 /nfs/dbraw/zinc/58/80/03/1282588003.db2.gz LXFLZUNUHZXNNX-CYBMUJFWSA-N 0 1 357.418 0.734 20 30 FCEDMN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588627661 1282600386 /nfs/dbraw/zinc/60/03/86/1282600386.db2.gz DWZNJBWTOWZIIQ-WDEREUQCSA-N 0 1 360.378 0.152 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001588659116 1282612529 /nfs/dbraw/zinc/61/25/29/1282612529.db2.gz HZOBQFQMAHRIFT-ZDUSSCGKSA-N 0 1 372.433 0.081 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588674380 1282630269 /nfs/dbraw/zinc/63/02/69/1282630269.db2.gz NDLYOCYCYWTSQW-ZDUSSCGKSA-N 0 1 357.418 0.939 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588674595 1282632607 /nfs/dbraw/zinc/63/26/07/1282632607.db2.gz QDQSTJSZBDATIC-CHWSQXEVSA-N 0 1 357.418 0.583 20 30 FCEDMN C=CCOCCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588680778 1282637608 /nfs/dbraw/zinc/63/76/08/1282637608.db2.gz CWXUZEAFVYWAON-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001588709546 1282657299 /nfs/dbraw/zinc/65/72/99/1282657299.db2.gz UPBPHCMRAWNGAC-TXEJJXNPSA-N 0 1 369.437 0.766 20 30 FCEDMN C=CCn1cc(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001588713945 1282661799 /nfs/dbraw/zinc/66/17/99/1282661799.db2.gz ZQJDUIDNGKNCLN-UHFFFAOYSA-N 0 1 373.446 0.615 20 30 FCEDMN C=CCn1cc(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001588713945 1282661810 /nfs/dbraw/zinc/66/18/10/1282661810.db2.gz ZQJDUIDNGKNCLN-UHFFFAOYSA-N 0 1 373.446 0.615 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588721038 1282665245 /nfs/dbraw/zinc/66/52/45/1282665245.db2.gz APCKWVNUTIPMPJ-UPJWGTAASA-N 0 1 370.417 0.073 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588722571 1282667792 /nfs/dbraw/zinc/66/77/92/1282667792.db2.gz ZYTKWDZLJZKELQ-IOASZLSFSA-N 0 1 369.429 0.678 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588723496 1282672058 /nfs/dbraw/zinc/67/20/58/1282672058.db2.gz OBLYMTZFERIBAR-TUAOUCFPSA-N 0 1 358.406 0.189 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588725653 1282674543 /nfs/dbraw/zinc/67/45/43/1282674543.db2.gz JVSZUYBLAVNCEW-JXFSHQFZSA-N 0 1 369.429 0.581 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588738157 1282678815 /nfs/dbraw/zinc/67/88/15/1282678815.db2.gz SIPJZUPCIVQKMU-STQMWFEESA-N 0 1 354.418 0.531 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588926627 1282729892 /nfs/dbraw/zinc/72/98/92/1282729892.db2.gz JOAGGXYYRGCAEM-NWDGAFQWSA-N 0 1 355.406 0.421 20 30 FCEDMN C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)n1cnc(-c2nn[nH]n2)n1 ZINC001588936579 1282733034 /nfs/dbraw/zinc/73/30/34/1282733034.db2.gz KTADHMSNAFQTOM-UWVGGRQHSA-N 0 1 362.357 0.782 20 30 FCEDMN C[C@@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588939399 1282736467 /nfs/dbraw/zinc/73/64/67/1282736467.db2.gz AOOLEQDLTPJRLH-GXFFZTMASA-N 0 1 367.373 0.083 20 30 FCEDMN C[C@@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588970741 1282749114 /nfs/dbraw/zinc/74/91/14/1282749114.db2.gz OKEBJYKBZGBBEE-GTNSWQLSSA-N 0 1 363.385 0.587 20 30 FCEDMN C[C@H](C(=O)Nc1ncccc1OCCCC#N)n1cnc(-c2nn[nH]n2)n1 ZINC001589024969 1282775268 /nfs/dbraw/zinc/77/52/68/1282775268.db2.gz GMQNBFUPQIWWFN-SNVBAGLBSA-N 0 1 368.361 0.735 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589067530 1282792197 /nfs/dbraw/zinc/79/21/97/1282792197.db2.gz BDBZNGSTYNLGOD-UHFFFAOYSA-N 0 1 368.445 0.779 20 30 FCEDMN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC001640000765 1282830611 /nfs/dbraw/zinc/83/06/11/1282830611.db2.gz HVLHHAAQOAXEIS-GJZGRUSLSA-N 0 1 364.423 0.558 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589380164 1282856091 /nfs/dbraw/zinc/85/60/91/1282856091.db2.gz OCTUQTRFFHZEAI-CHWSQXEVSA-N 0 1 354.418 0.387 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001589388316 1282867637 /nfs/dbraw/zinc/86/76/37/1282867637.db2.gz VVQJNSXTLGATSN-SJORKVTESA-N 0 1 368.441 0.578 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589389755 1282868346 /nfs/dbraw/zinc/86/83/46/1282868346.db2.gz LQULFOHUNSLZJY-JOCQHMNTSA-N 0 1 354.418 0.577 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589389840 1282869824 /nfs/dbraw/zinc/86/98/24/1282869824.db2.gz PCSBAAUBRCDHBN-CHWSQXEVSA-N 0 1 354.418 0.577 20 30 FCEDMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590174998 1283279320 /nfs/dbraw/zinc/27/93/20/1283279320.db2.gz KXJAFOPWCBJHHN-NWDGAFQWSA-N 0 1 354.418 0.529 20 30 FCEDMN CC[C@@H](CNC(=O)CSCC#N)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001590441234 1283540637 /nfs/dbraw/zinc/54/06/37/1283540637.db2.gz HNDPPPFLTVAEMR-NSHDSACASA-N 0 1 360.447 0.556 20 30 FCEDMN CN(C[C@@H]1CCCN1C(=O)CSCC#N)c1ccncc1-c1nn[nH]n1 ZINC001591055377 1284114102 /nfs/dbraw/zinc/11/41/02/1284114102.db2.gz DMOSCLYPXMHNDD-LBPRGKRZSA-N 0 1 372.458 0.946 20 30 FCEDMN CN(CCC#N)C[C@@H](O)Cn1cc(-c2nn[nH]n2)c2ccccc2c1=O ZINC001591061939 1284122294 /nfs/dbraw/zinc/12/22/94/1284122294.db2.gz KZFWZKQIWQUCDL-GFCCVEGCSA-N 0 1 353.386 0.388 20 30 FCEDMN CN(CCCCNc1ccnc(C#N)n1)c1ccnc(-c2nn[nH]n2)n1 ZINC001591065383 1284127830 /nfs/dbraw/zinc/12/78/30/1284127830.db2.gz LRQUORBTURDPKS-UHFFFAOYSA-N 0 1 351.378 0.069 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(C#N)cn2)c1-c1nnn[n-]1 ZINC001591217805 1284353761 /nfs/dbraw/zinc/35/37/61/1284353761.db2.gz VRIPNLNWAFPFTR-UHFFFAOYSA-N 0 1 366.389 0.569 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(C#N)cn2)c1-c1nn[n-]n1 ZINC001591217805 1284353774 /nfs/dbraw/zinc/35/37/74/1284353774.db2.gz VRIPNLNWAFPFTR-UHFFFAOYSA-N 0 1 366.389 0.569 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CNC/C=C/CNC(=O)[C@H](C)C#N ZINC001591562402 1284734847 /nfs/dbraw/zinc/73/48/47/1284734847.db2.gz IOCXYKGPMQAGQA-AAOUONPWSA-N 0 1 355.402 0.797 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)N[C@H]1CCOc2ccccc21 ZINC001592334660 1285244659 /nfs/dbraw/zinc/24/46/59/1285244659.db2.gz DBLRXUJPWDQIEP-LBPRGKRZSA-N 0 1 364.369 0.883 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001604788427 1287780665 /nfs/dbraw/zinc/78/06/65/1287780665.db2.gz MGGJFEDRUXTTMU-ZDUSSCGKSA-N 0 1 358.398 0.182 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001604788427 1287780670 /nfs/dbraw/zinc/78/06/70/1287780670.db2.gz MGGJFEDRUXTTMU-ZDUSSCGKSA-N 0 1 358.398 0.182 20 30 FCEDMN N#CCSCC(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592680198 1285578272 /nfs/dbraw/zinc/57/82/72/1285578272.db2.gz HZRKTZWVPUYXCA-LBPRGKRZSA-N 0 1 372.458 0.591 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1ncc(Br)cc1F ZINC001592683894 1285581685 /nfs/dbraw/zinc/58/16/85/1285581685.db2.gz FNRRFPRGKLZRQY-UHFFFAOYSA-N 0 1 364.142 0.862 20 30 FCEDMN N#Cc1ccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)nc1 ZINC001592691082 1285585684 /nfs/dbraw/zinc/58/56/84/1285585684.db2.gz FVGOMVCSXFOYDH-UHFFFAOYSA-N 0 1 358.325 0.966 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001592766925 1285688124 /nfs/dbraw/zinc/68/81/24/1285688124.db2.gz WDLRABOIJCSWDQ-SFHVURJKSA-N 0 1 364.413 0.499 20 30 FCEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592766134 1285688784 /nfs/dbraw/zinc/68/87/84/1285688784.db2.gz DIBCAIWATNPTTP-CYBMUJFWSA-N 0 1 352.402 0.285 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592767330 1285690914 /nfs/dbraw/zinc/69/09/14/1285690914.db2.gz AVYYZRGLCCBOEP-KRWDZBQOSA-N 0 1 372.454 0.395 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592767330 1285690920 /nfs/dbraw/zinc/69/09/20/1285690920.db2.gz AVYYZRGLCCBOEP-KRWDZBQOSA-N 0 1 372.454 0.395 20 30 FCEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN2CCC1CC2 ZINC001593681231 1286211258 /nfs/dbraw/zinc/21/12/58/1286211258.db2.gz DEZGTQOUFZSQNB-LRDDRELGSA-N 0 1 362.455 0.435 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(C(=O)[O-])c1 ZINC001601111686 1286637070 /nfs/dbraw/zinc/63/70/70/1286637070.db2.gz LBYZMTIGBXXFED-ZDUSSCGKSA-N 0 1 367.427 0.382 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C(=O)[O-])c1 ZINC001601111686 1286637082 /nfs/dbraw/zinc/63/70/82/1286637082.db2.gz LBYZMTIGBXXFED-ZDUSSCGKSA-N 0 1 367.427 0.382 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001602703251 1287064326 /nfs/dbraw/zinc/06/43/26/1287064326.db2.gz MBEZGNLKBAMBQB-QWHCGFSZSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602703427 1287065322 /nfs/dbraw/zinc/06/53/22/1287065322.db2.gz QHDFADQUNLQVCO-KBPBESRZSA-N 0 1 353.430 0.994 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001602703252 1287067153 /nfs/dbraw/zinc/06/71/53/1287067153.db2.gz MBEZGNLKBAMBQB-STQMWFEESA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCCC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602710633 1287068819 /nfs/dbraw/zinc/06/88/19/1287068819.db2.gz XVLQVOYASPIPRY-ZDUSSCGKSA-N 0 1 356.434 0.921 20 30 FCEDMN C#CC[N@H+](C)CCCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602716937 1287073683 /nfs/dbraw/zinc/07/36/83/1287073683.db2.gz WBKYHTBAXVBLKN-UHFFFAOYSA-N 0 1 367.335 0.965 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602716937 1287073692 /nfs/dbraw/zinc/07/36/92/1287073692.db2.gz WBKYHTBAXVBLKN-UHFFFAOYSA-N 0 1 367.335 0.965 20 30 FCEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001602716654 1287075132 /nfs/dbraw/zinc/07/51/32/1287075132.db2.gz KRCSDNVOSATJGA-UHFFFAOYSA-N 0 1 370.385 0.378 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCN(c1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602724508 1287081301 /nfs/dbraw/zinc/08/13/01/1287081301.db2.gz GJTOLPLSBVKGCV-CYBMUJFWSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCOCCC(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1 ZINC001602727306 1287091167 /nfs/dbraw/zinc/09/11/67/1287091167.db2.gz NCOSLGOQVGZOAM-UHFFFAOYSA-N 0 1 371.445 0.620 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602727124 1287092368 /nfs/dbraw/zinc/09/23/68/1287092368.db2.gz VBUHWXZEGSBJAL-ZIAGYGMSSA-N 0 1 369.429 0.372 20 30 FCEDMN C#CCOCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602729437 1287096437 /nfs/dbraw/zinc/09/64/37/1287096437.db2.gz RVRAPYKFUZPXJU-UHFFFAOYSA-N 0 1 369.429 0.564 20 30 FCEDMN C#Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001602739009 1287101832 /nfs/dbraw/zinc/10/18/32/1287101832.db2.gz WURKCKXRMVIIOC-LBPRGKRZSA-N 0 1 363.801 0.735 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001602742827 1287102474 /nfs/dbraw/zinc/10/24/74/1287102474.db2.gz LHPPPGINYKXRHM-LLVKDONJSA-N 0 1 363.385 0.075 20 30 FCEDMN C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001602759760 1287107367 /nfs/dbraw/zinc/10/73/67/1287107367.db2.gz QMKPPYKQOARRLF-XYYAHUGASA-N 0 1 354.418 0.811 20 30 FCEDMN C=C(Cl)CNC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001602767576 1287107517 /nfs/dbraw/zinc/10/75/17/1287107517.db2.gz JFCXUVLULWDMOJ-UHFFFAOYSA-N 0 1 373.764 0.255 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001602782631 1287112352 /nfs/dbraw/zinc/11/23/52/1287112352.db2.gz CRXVTEFADYYMFG-LBPRGKRZSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602795652 1287120757 /nfs/dbraw/zinc/12/07/57/1287120757.db2.gz URMPBQDAKOATNN-YVEFUNNKSA-N 0 1 372.433 0.055 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602841029 1287130118 /nfs/dbraw/zinc/13/01/18/1287130118.db2.gz KWUAFHYAMOFIMA-VXGBXAGGSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001602840658 1287130272 /nfs/dbraw/zinc/13/02/72/1287130272.db2.gz BLQSRMSOTSPGHT-ZDUSSCGKSA-N 0 1 357.418 0.734 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602844204 1287134716 /nfs/dbraw/zinc/13/47/16/1287134716.db2.gz LRCWHAQYIOQYAX-STQMWFEESA-N 0 1 372.433 0.511 20 30 FCEDMN C=CCCn1cc(C(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001602846464 1287136820 /nfs/dbraw/zinc/13/68/20/1287136820.db2.gz OPYRAUBFRIWWST-UHFFFAOYSA-N 0 1 368.405 0.296 20 30 FCEDMN C=CCOCC(=O)N(CCC)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602867080 1287140715 /nfs/dbraw/zinc/14/07/15/1287140715.db2.gz UYCYDKADYLDFQJ-CYBMUJFWSA-N 0 1 372.433 0.677 20 30 FCEDMN CC#CCCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602891454 1287149129 /nfs/dbraw/zinc/14/91/29/1287149129.db2.gz DMFSQNQGSXXJEX-ZDUSSCGKSA-N 0 1 370.417 0.172 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001602892616 1287149429 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0.708 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](NCc2ccc(C(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001129667181 1201364670 /nfs/dbraw/zinc/36/46/70/1201364670.db2.gz QLSZHLVPNCKSOO-SJORKVTESA-N 0 1 368.441 0.885 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129717095 1201376616 /nfs/dbraw/zinc/37/66/16/1201376616.db2.gz FVQYQFKAPTYEJN-BMFZPTHFSA-N 0 1 360.462 0.501 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129757100 1201385292 /nfs/dbraw/zinc/38/52/92/1201385292.db2.gz VPONVGVNFNWZMK-CVEARBPZSA-N 0 1 358.446 0.092 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)c(C)o2)C[C@@H]1n1ccnn1 ZINC001129741535 1201386393 /nfs/dbraw/zinc/38/63/93/1201386393.db2.gz BEBYLZSJYVADQG-CVEARBPZSA-N 0 1 357.414 0.793 20 30 FCEDMN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129824851 1201401961 /nfs/dbraw/zinc/40/19/61/1201401961.db2.gz DZOLAHBZRQFXOJ-SJORKVTESA-N 0 1 355.446 0.521 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@@H]2CCN(CC)C2=O)[C@@H](n2ccnn2)C1 ZINC001129833852 1201409212 /nfs/dbraw/zinc/40/92/12/1201409212.db2.gz HLUUJVLCYVWIAF-OAGGEKHMSA-N 0 1 358.446 0.044 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129881798 1201412004 /nfs/dbraw/zinc/41/20/04/1201412004.db2.gz TXONEJHMHKBMNJ-CVEARBPZSA-N 0 1 360.462 0.598 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COCc2ccc(C)cc2)C[C@@H]1n1ccnn1 ZINC001129887966 1201414502 /nfs/dbraw/zinc/41/45/02/1201414502.db2.gz ZGUNJFBSDDPKTQ-MSOLQXFVSA-N 0 1 353.426 0.778 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@@H]1n1ccnn1 ZINC001129890740 1201415173 /nfs/dbraw/zinc/41/51/73/1201415173.db2.gz ZFYICZHDONQGAO-CVEARBPZSA-N 0 1 353.430 0.568 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](N[C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129876145 1201419298 /nfs/dbraw/zinc/41/92/98/1201419298.db2.gz COLZGALCASWHTG-KFWWJZLASA-N 0 1 360.462 0.453 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@@H]1n1ccnn1 ZINC001129905365 1201420888 /nfs/dbraw/zinc/42/08/88/1201420888.db2.gz WDGKGEKSTRWEOB-CABCVRRESA-N 0 1 358.446 0.112 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@@H]1n1ccnn1 ZINC001129906867 1201421660 /nfs/dbraw/zinc/42/16/60/1201421660.db2.gz DOBYEXXVSBKOBC-BBWFWOEESA-N 0 1 357.458 0.850 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129910571 1201423257 /nfs/dbraw/zinc/42/32/57/1201423257.db2.gz ZCLZDGFNWIFNGZ-KFWWJZLASA-N 0 1 362.478 0.604 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129912429 1201423868 /nfs/dbraw/zinc/42/38/68/1201423868.db2.gz FPAKWWFEVPNWKX-MSOLQXFVSA-N 0 1 353.426 0.512 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@@H]1n1ccnn1 ZINC001129894847 1201429563 /nfs/dbraw/zinc/42/95/63/1201429563.db2.gz VFOGFVXCWXJKPH-CVEARBPZSA-N 0 1 364.413 0.536 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@@H]1n1ccnn1 ZINC001129896248 1201430659 /nfs/dbraw/zinc/43/06/59/1201430659.db2.gz VHJPAYWPYSDZRL-CVEARBPZSA-N 0 1 361.409 0.900 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@@H]1n1ccnn1 ZINC001129939326 1201438593 /nfs/dbraw/zinc/43/85/93/1201438593.db2.gz BWWZVAGBXJTXIA-CVEARBPZSA-N 0 1 364.413 0.088 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@@H]1n1ccnn1 ZINC001129939342 1201438635 /nfs/dbraw/zinc/43/86/35/1201438635.db2.gz CGJCFBXEGTZCGB-SJORKVTESA-N 0 1 355.446 0.182 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001129949324 1201447665 /nfs/dbraw/zinc/44/76/65/1201447665.db2.gz XIBALIZMFCGTTF-MSOLQXFVSA-N 0 1 369.473 0.626 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@@H]1n1ccnn1 ZINC001129952444 1201448387 /nfs/dbraw/zinc/44/83/87/1201448387.db2.gz UPUCVJZNAJYOFJ-CVEARBPZSA-N 0 1 365.397 0.801 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@@H]1n1ccnn1 ZINC001129945780 1201454606 /nfs/dbraw/zinc/45/46/06/1201454606.db2.gz WNMMYMIBTNBIEJ-SJORKVTESA-N 0 1 357.458 0.850 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129972696 1201459481 /nfs/dbraw/zinc/45/94/81/1201459481.db2.gz JQTKYXYZVRZISF-OAGGEKHMSA-N 0 1 358.446 0.092 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C=C)CC)C[C@@H]1n1ccnn1 ZINC001129977930 1201460526 /nfs/dbraw/zinc/46/05/26/1201460526.db2.gz KYQXUBTUEHDREP-XHSDSOJGSA-N 0 1 360.462 0.524 20 30 FCEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001086627346 1201461668 /nfs/dbraw/zinc/46/16/68/1201461668.db2.gz DOCUKTYKMYXUJT-IXDOHACOSA-N 0 1 353.422 0.647 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(CC=C)CCC2)C[C@@H]1n1ccnn1 ZINC001129994280 1201464290 /nfs/dbraw/zinc/46/42/90/1201464290.db2.gz FHOWLYNWERYTTQ-CVEARBPZSA-N 0 1 370.457 0.115 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129999103 1201466589 /nfs/dbraw/zinc/46/65/89/1201466589.db2.gz KUFZJJOQKNBCFJ-RVKKMQEKSA-N 0 1 362.478 0.747 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](NCC(=O)N[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129987057 1201468975 /nfs/dbraw/zinc/46/89/75/1201468975.db2.gz WBQMFSXVSVRPCR-OAGGEKHMSA-N 0 1 362.478 0.891 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2ccc(CC)cn2)C[C@@H]1n1ccnn1 ZINC001130014509 1201471866 /nfs/dbraw/zinc/47/18/66/1201471866.db2.gz PXCGSHHPLWNBCL-MSOLQXFVSA-N 0 1 352.442 0.843 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2OC)C[C@@H]1n1ccnn1 ZINC001130014762 1201472082 /nfs/dbraw/zinc/47/20/82/1201472082.db2.gz DMEGPMKIZRUFEG-KGLIPLIRSA-N 0 1 356.386 0.066 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1 ZINC001130015571 1201473008 /nfs/dbraw/zinc/47/30/08/1201473008.db2.gz YQJJGVJCFCIFQT-OIISXLGYSA-N 0 1 354.414 0.253 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001130022516 1201474919 /nfs/dbraw/zinc/47/49/19/1201474919.db2.gz CNACERKXQOCLTN-CABCVRRESA-N 0 1 362.478 0.748 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@@H]1n1ccnn1 ZINC001130022840 1201475165 /nfs/dbraw/zinc/47/51/65/1201475165.db2.gz ORYINPVCRBLVPY-BBWFWOEESA-N 0 1 371.445 0.117 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@@H]1n1ccnn1 ZINC001130005709 1201475922 /nfs/dbraw/zinc/47/59/22/1201475922.db2.gz DTKSTPTWMMDOSS-OAGGEKHMSA-N 0 1 357.414 0.666 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)CCCC(=O)N(CC)CC)C[C@@H]1n1ccnn1 ZINC001130040694 1201478404 /nfs/dbraw/zinc/47/84/04/1201478404.db2.gz HMWDJLFTVFQBGZ-CVEARBPZSA-N 0 1 360.462 0.292 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@@H]1n1ccnn1 ZINC001130024605 1201479070 /nfs/dbraw/zinc/47/90/70/1201479070.db2.gz YJOCOGMZGWEVFS-SOLBZPMBSA-N 0 1 369.400 0.786 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001130026352 1201479567 /nfs/dbraw/zinc/47/95/67/1201479567.db2.gz MJGPMUZOVNMYIY-CVEARBPZSA-N 0 1 365.397 0.539 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@@H]1n1ccnn1 ZINC001130030448 1201480359 /nfs/dbraw/zinc/48/03/59/1201480359.db2.gz AVICBNBFWNZQGX-CABCVRRESA-N 0 1 369.429 0.536 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@@H]1n1ccnn1 ZINC001130044137 1201485216 /nfs/dbraw/zinc/48/52/16/1201485216.db2.gz RYUFUULZMBPFQT-CVEARBPZSA-N 0 1 355.446 0.790 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCCC(=O)NCCC)C[C@@H]1n1ccnn1 ZINC001130089059 1201497372 /nfs/dbraw/zinc/49/73/72/1201497372.db2.gz WSDDZRMWNXSPPQ-CVEARBPZSA-N 0 1 360.462 0.339 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1n1ccnn1 ZINC001130114893 1201505945 /nfs/dbraw/zinc/50/59/45/1201505945.db2.gz ILOMYCICLIKCTJ-MSOLQXFVSA-N 0 1 370.457 0.539 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001130129377 1201507711 /nfs/dbraw/zinc/50/77/11/1201507711.db2.gz FCUHDHAKWGPFDL-BBWFWOEESA-N 0 1 361.446 0.086 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130121035 1201510694 /nfs/dbraw/zinc/51/06/94/1201510694.db2.gz IWQYRYKUHPZLKS-CVEARBPZSA-N 0 1 360.462 0.339 20 30 FCEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@@H]1n1ccnn1 ZINC001130123762 1201512406 /nfs/dbraw/zinc/51/24/06/1201512406.db2.gz ZMIXWMZEHCTBQV-IMJJTQAJSA-N 0 1 371.445 0.261 20 30 FCEDMN C#C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H]1CCCO1 ZINC000805306190 1201512610 /nfs/dbraw/zinc/51/26/10/1201512610.db2.gz SWJRJVCGAXTFOB-LDBYLJPUSA-N 0 1 362.474 0.550 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@@H]1n1ccnn1 ZINC001130155312 1201518475 /nfs/dbraw/zinc/51/84/75/1201518475.db2.gz ABHCORPBJOOGIE-CVEARBPZSA-N 0 1 360.462 0.195 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCOC2)[nH]1 ZINC001130198394 1201534011 /nfs/dbraw/zinc/53/40/11/1201534011.db2.gz JFSWWOLUHZQSFP-IHRRRGAJSA-N 0 1 362.434 0.223 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H]2CCOC2)n[nH]1 ZINC001130198394 1201534015 /nfs/dbraw/zinc/53/40/15/1201534015.db2.gz JFSWWOLUHZQSFP-IHRRRGAJSA-N 0 1 362.434 0.223 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCCO2)[nH]1 ZINC001130198573 1201534816 /nfs/dbraw/zinc/53/48/16/1201534816.db2.gz 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N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C3)cc1 ZINC001097444717 1218806630 /nfs/dbraw/zinc/80/66/30/1218806630.db2.gz DSGIQCFHFSVCIL-MCIONIFRSA-N 0 1 366.381 0.690 20 30 FCEDMN N#CCOc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCNC2=O)C3)cc1 ZINC001097640411 1218832392 /nfs/dbraw/zinc/83/23/92/1218832392.db2.gz KDIKPHXCAODWPI-DDBAPUKQSA-N 0 1 368.437 0.947 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)N2CCOCC2)CC1 ZINC001052723008 1218860357 /nfs/dbraw/zinc/86/03/57/1218860357.db2.gz OIAQOCXBXPCWJM-BBWFWOEESA-N 0 1 365.474 0.407 20 30 FCEDMN C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001052969092 1218869638 /nfs/dbraw/zinc/86/96/38/1218869638.db2.gz ZNSRGRSFOVVXPL-FRRDWIJNSA-N 0 1 366.429 0.460 20 30 FCEDMN C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001052969092 1218869639 /nfs/dbraw/zinc/86/96/39/1218869639.db2.gz ZNSRGRSFOVVXPL-FRRDWIJNSA-N 0 1 366.429 0.460 20 30 FCEDMN C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1CCNc1cncc(C#N)n1 ZINC001053341598 1218880366 /nfs/dbraw/zinc/88/03/66/1218880366.db2.gz KDWALQVKALRISS-CHWSQXEVSA-N 0 1 354.418 0.996 20 30 FCEDMN C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054442923 1218926453 /nfs/dbraw/zinc/92/64/53/1218926453.db2.gz JCYOBKSRFPBENM-HZSPNIEDSA-N 0 1 365.441 0.805 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@]3(CNC(=O)c4cnn[nH]4)CCC[C@@H]23)n1 ZINC001054768253 1218958292 /nfs/dbraw/zinc/95/82/92/1218958292.db2.gz FJDLWNAOCVQARL-RHSMWYFYSA-N 0 1 352.402 0.954 20 30 FCEDMN C#CCN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1OCCO)C2 ZINC001277173068 1225860499 /nfs/dbraw/zinc/86/04/99/1225860499.db2.gz PVWZBQVEAVKTIE-FQEVSTJZSA-N 0 1 358.438 0.742 20 30 FCEDMN CCc1nc(C#N)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2n[nH]c(C)n2)C3)n1 ZINC001055324923 1219028147 /nfs/dbraw/zinc/02/81/47/1219028147.db2.gz KBISGLWEWOQFGC-MCIONIFRSA-N 0 1 366.429 0.806 20 30 FCEDMN N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4[nH]nnc4C2)C3)cn1 ZINC001055364862 1219035184 /nfs/dbraw/zinc/03/51/84/1219035184.db2.gz CCPDFSXKRCASFU-XOPPTJLZSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCc4nn[nH]c4C2)C3)cn1 ZINC001055364862 1219035186 /nfs/dbraw/zinc/03/51/86/1219035186.db2.gz CCPDFSXKRCASFU-XOPPTJLZSA-N 0 1 364.413 0.497 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)nn1 ZINC001097998862 1219063274 /nfs/dbraw/zinc/06/32/74/1219063274.db2.gz DGTRLFDMISWBLW-ANQUJSFKSA-N 0 1 371.445 0.057 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530607 1219069112 /nfs/dbraw/zinc/06/91/12/1219069112.db2.gz PCJBJMNWEKXOHH-CVEARBPZSA-N 0 1 361.446 0.311 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCN1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055567579 1219081810 /nfs/dbraw/zinc/08/18/10/1219081810.db2.gz HICQYOZCTQVNBE-DKSSEZFCSA-N 0 1 367.490 0.435 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)C#CC(C)C)CC1 ZINC001055573003 1219083089 /nfs/dbraw/zinc/08/30/89/1219083089.db2.gz NGKXCUMVLGOKOL-MSOLQXFVSA-N 0 1 361.486 0.934 20 30 FCEDMN CC[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055575560 1219084431 /nfs/dbraw/zinc/08/44/31/1219084431.db2.gz XSLASZCPMZYLAL-MSOLQXFVSA-N 0 1 361.486 0.912 20 30 FCEDMN CC[C@@H]1CCO[C@@H]1C(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055593804 1219092783 /nfs/dbraw/zinc/09/27/83/1219092783.db2.gz AWOIOSOGYCNLMA-APWZRJJASA-N 0 1 361.486 0.912 20 30 FCEDMN C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001055610965 1219098595 /nfs/dbraw/zinc/09/85/95/1219098595.db2.gz BATAKACLCINGOX-XKQJLSEDSA-N 0 1 362.474 0.658 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](n2ccnn2)C1 ZINC001070060435 1219120723 /nfs/dbraw/zinc/12/07/23/1219120723.db2.gz WKXJRJIBIARSGS-CABCVRRESA-N 0 1 352.402 0.552 20 30 FCEDMN C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001070078638 1219147769 /nfs/dbraw/zinc/14/77/69/1219147769.db2.gz JGPQEMCVXIHODI-SJORKVTESA-N 0 1 366.425 0.750 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082256 1219151676 /nfs/dbraw/zinc/15/16/76/1219151676.db2.gz GEBXMWLCLZCAJJ-MSOLQXFVSA-N 0 1 353.426 0.894 20 30 FCEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)[C@@H](n2ccnn2)C1 ZINC001070096075 1219166760 /nfs/dbraw/zinc/16/67/60/1219166760.db2.gz GSNSHPGKJMGTQM-SJORKVTESA-N 0 1 367.457 0.949 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070101543 1219175039 /nfs/dbraw/zinc/17/50/39/1219175039.db2.gz GOPFWWSGIRKHBZ-XHSDSOJGSA-N 0 1 360.462 0.597 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109466 1219184076 /nfs/dbraw/zinc/18/40/76/1219184076.db2.gz YDTCNQYOMVDSEH-ZACQAIPSSA-N 0 1 351.410 0.819 20 30 FCEDMN COCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001070112838 1219187326 /nfs/dbraw/zinc/18/73/26/1219187326.db2.gz UBTWZOZXCKDXDR-CVEARBPZSA-N 0 1 358.377 0.477 20 30 FCEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(C)C)C[C@@H]2n2ccnn2)C1=O ZINC001070128741 1219201281 /nfs/dbraw/zinc/20/12/81/1219201281.db2.gz CDUFANWARDHLLG-XHSDSOJGSA-N 0 1 360.462 0.453 20 30 FCEDMN N#Cc1cccc(CN[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@@H]2n2ccnn2)c1 ZINC001070140525 1219220297 /nfs/dbraw/zinc/22/02/97/1219220297.db2.gz QRAKQKNTMQDQPG-SQNIBIBYSA-N 0 1 366.425 0.870 20 30 FCEDMN COc1cccc(CN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)c1 ZINC001070159564 1219247234 /nfs/dbraw/zinc/24/72/34/1219247234.db2.gz IHCFEUGTTCGPDR-XYPHTWIQSA-N 0 1 354.414 0.988 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1n1ccnn1 ZINC001070198267 1219288026 /nfs/dbraw/zinc/28/80/26/1219288026.db2.gz XBENIWNNBCURFM-CVEARBPZSA-N 0 1 365.397 0.404 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@@H]1n1ccnn1 ZINC001070201334 1219290079 /nfs/dbraw/zinc/29/00/79/1219290079.db2.gz NTJZTCHYZXVFEJ-ZACQAIPSSA-N 0 1 351.410 0.647 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2[nH]nc3c2cccc3OC)C[C@@H]1n1ccnn1 ZINC001070203151 1219291036 /nfs/dbraw/zinc/29/10/36/1219291036.db2.gz JKZBELAOSYXEBX-KGLIPLIRSA-N 0 1 365.397 0.452 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(F)cc2NC(C)=O)C[C@@H]1n1ccnn1 ZINC001070204579 1219291922 /nfs/dbraw/zinc/29/19/22/1219291922.db2.gz GCKAWRSAQUOMFD-SJORKVTESA-N 0 1 370.388 0.664 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1 ZINC001070220861 1219302757 /nfs/dbraw/zinc/30/27/57/1219302757.db2.gz PUCCUWAIMVNMRO-MAZHCROVSA-N 0 1 355.446 0.787 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)C3)C[C@@H]1n1ccnn1 ZINC001070227222 1219307194 /nfs/dbraw/zinc/30/71/94/1219307194.db2.gz RYIGOHYGBQFOHM-WBVHZDCISA-N 0 1 364.409 0.086 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)CCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnn1 ZINC001070228246 1219307966 /nfs/dbraw/zinc/30/79/66/1219307966.db2.gz PIHGNYYTMDGZSU-MOPGFXCFSA-N 0 1 366.469 0.952 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2csc(-c3ncc[nH]3)n2)C[C@@H]1n1ccnn1 ZINC001070237914 1219312284 /nfs/dbraw/zinc/31/22/84/1219312284.db2.gz SZBWPWBSQAJITB-YPMHNXCESA-N 0 1 368.426 0.413 20 30 FCEDMN N#Cc1cccc(CN[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2n2ccnn2)c1 ZINC001070246354 1219316764 /nfs/dbraw/zinc/31/67/64/1219316764.db2.gz SJHUQRDPKLKHIX-CVEARBPZSA-N 0 1 363.381 0.993 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1 ZINC001070259620 1219329385 /nfs/dbraw/zinc/32/93/85/1219329385.db2.gz XTYZRGSTDWVODB-XKQJLSEDSA-N 0 1 353.430 0.106 20 30 FCEDMN C=C1CCC(C(=O)N2C[C@@H](N[C@@H](CC)C(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070267809 1219335778 /nfs/dbraw/zinc/33/57/78/1219335778.db2.gz QXNRYGBVZVQZHY-XHSDSOJGSA-N 0 1 360.462 0.630 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](NCc3n[nH]c(C)n3)[C@@H](n3ccnn3)C2)C1 ZINC001070271679 1219340716 /nfs/dbraw/zinc/34/07/16/1219340716.db2.gz UTPJWGMQGUNMFD-KGLIPLIRSA-N 0 1 356.434 0.603 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)C[C@@H]1n1ccnn1 ZINC001070284003 1219348459 /nfs/dbraw/zinc/34/84/59/1219348459.db2.gz SWTSARLVFIBVMH-CVEARBPZSA-N 0 1 363.343 0.913 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@@H]1n1ccnn1 ZINC001070291142 1219353355 /nfs/dbraw/zinc/35/33/55/1219353355.db2.gz YKIAKKLYRWCBLW-VUCTXSBTSA-N 0 1 356.430 0.736 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)C[C@@H]1n1ccnn1 ZINC001070296318 1219355926 /nfs/dbraw/zinc/35/59/26/1219355926.db2.gz GXZWVSLEXVEDRD-MSOLQXFVSA-N 0 1 361.409 0.752 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070299875 1219358516 /nfs/dbraw/zinc/35/85/16/1219358516.db2.gz JXBBSGXRYMRMSM-BBWFWOEESA-N 0 1 364.409 0.128 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2coc(C3CCOCC3)n2)C[C@@H]1n1ccnn1 ZINC001070308558 1219366321 /nfs/dbraw/zinc/36/63/21/1219366321.db2.gz ZAXZTNDRHGQSRX-ZBFHGGJFSA-N 0 1 370.413 0.449 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070313419 1219369990 /nfs/dbraw/zinc/36/99/90/1219369990.db2.gz MRZFFWLCUSNMMK-CEXWTWQISA-N 0 1 365.437 0.957 20 30 FCEDMN 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PNXIUJJADRCZKN-GFCCVEGCSA-N 0 1 365.434 0.002 20 30 FCEDMN C=CCCC(=O)N(CCO)CCNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575085792 1271713649 /nfs/dbraw/zinc/71/36/49/1271713649.db2.gz NNUZXJPXUUMEOA-UHFFFAOYSA-N 0 1 358.402 0.384 20 30 FCEDMN C=CCCC(=O)N1CCC2(CN([C@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575085310 1271714007 /nfs/dbraw/zinc/71/40/07/1271714007.db2.gz ILOHKFAPSHGDSM-CQSZACIVSA-N 0 1 360.462 0.700 20 30 FCEDMN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCc2c[nH]nn2)CCC1 ZINC001575085441 1271714147 /nfs/dbraw/zinc/71/41/47/1271714147.db2.gz MLAOWLIZTHSYDM-HNNXBMFYSA-N 0 1 360.462 0.700 20 30 FCEDMN C=CCCC(=O)NC[C@H]1C[C@@H](NC(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001575087419 1271714604 /nfs/dbraw/zinc/71/46/04/1271714604.db2.gz GQXPHZVYNYVCCD-FZNQNYSPSA-N 0 1 374.489 0.994 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)C1CN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575096765 1271716948 /nfs/dbraw/zinc/71/69/48/1271716948.db2.gz BHZTYTGTFLTCMC-QWHCGFSZSA-N 0 1 365.434 0.360 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CN(Cc2c[nH]nn2)CC2(CCOCC2)C1 ZINC001575100723 1271719669 /nfs/dbraw/zinc/71/96/69/1271719669.db2.gz VPBKUZXJLQIBTR-HNNXBMFYSA-N 0 1 363.462 0.885 20 30 FCEDMN C=CCn1c(COCC)nnc1N1CCC(C(=O)NCc2c[nH]nn2)CC1 ZINC001575111589 1271722898 /nfs/dbraw/zinc/72/28/98/1271722898.db2.gz HMEIZXFOHAOXGP-UHFFFAOYSA-N 0 1 374.449 0.652 20 30 FCEDMN C=CCOCC(=O)NCC[C@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575110294 1271723668 /nfs/dbraw/zinc/72/36/68/1271723668.db2.gz MMALQLZRBKXQSS-LBPRGKRZSA-N 0 1 358.402 0.694 20 30 FCEDMN C=CCOCC(=O)NCC1CC(NC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575110557 1271724689 /nfs/dbraw/zinc/72/46/89/1271724689.db2.gz UADRXVAJAANJGW-UHFFFAOYSA-N 0 1 370.413 0.694 20 30 FCEDMN CC#CCCCC(=O)NCc1cn(C2CN(CCc3c[nH]nn3)C2)nn1 ZINC001575116951 1271728811 /nfs/dbraw/zinc/72/88/11/1271728811.db2.gz CZWGIPDBZSNORD-UHFFFAOYSA-N 0 1 356.434 0.305 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(CC)n1CC1([S@](C)=O)CC1 ZINC001575121733 1271732215 /nfs/dbraw/zinc/73/22/15/1271732215.db2.gz NLVKIFIVMZCTAZ-VWLOTQADSA-N 0 1 361.475 0.900 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)NCc2cn[nH]n2)C1 ZINC001575117593 1271732969 /nfs/dbraw/zinc/73/29/69/1271732969.db2.gz OZUGJKYDLBOTBL-ZBFHGGJFSA-N 0 1 360.462 0.536 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C[C@H]21 ZINC001575176168 1271763890 /nfs/dbraw/zinc/76/38/90/1271763890.db2.gz FBNNNWKYJQTMSZ-NYMYIZQJSA-N 0 1 351.370 0.213 20 30 FCEDMN C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN([C@@H](C)c2nnnn2C)CC1 ZINC001575177383 1271764999 /nfs/dbraw/zinc/76/49/99/1271764999.db2.gz KVTUNMWXVYNSJR-NEPJUHHUSA-N 0 1 372.437 0.042 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575176802 1271765407 /nfs/dbraw/zinc/76/54/07/1271765407.db2.gz HVNBNJQURNMFCP-CHWSQXEVSA-N 0 1 361.450 0.139 20 30 FCEDMN C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)c2ccncn2)CC1 ZINC001575178951 1271766427 /nfs/dbraw/zinc/76/64/27/1271766427.db2.gz ROFOJXFLPMTOLY-GFCCVEGCSA-N 0 1 368.401 0.388 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCCCC2)C[C@H]1O ZINC001575177878 1271766643 /nfs/dbraw/zinc/76/66/43/1271766643.db2.gz MRKUPWYVSNWWLA-NWANDNLSSA-N 0 1 374.445 0.145 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCCCC2)C[C@H]1O ZINC001575177878 1271766655 /nfs/dbraw/zinc/76/66/55/1271766655.db2.gz MRKUPWYVSNWWLA-NWANDNLSSA-N 0 1 374.445 0.145 20 30 FCEDMN C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)COCC2CC2)CC1 ZINC001575178095 1271768175 /nfs/dbraw/zinc/76/81/75/1271768175.db2.gz OFWVNXKZQCZUGF-CYBMUJFWSA-N 0 1 374.445 0.711 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575246635 1271850754 /nfs/dbraw/zinc/85/07/54/1271850754.db2.gz OLKRCPVDVUFTLH-CYBMUJFWSA-N 0 1 370.413 0.123 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575251166 1271854652 /nfs/dbraw/zinc/85/46/52/1271854652.db2.gz AEMLHWMEGYZZSI-HOCLYGCPSA-N 0 1 372.473 0.536 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)OCc3c[nH]nn3)[C@@H]2C1 ZINC001575318028 1271918587 /nfs/dbraw/zinc/91/85/87/1271918587.db2.gz GDYVIWLFGANLSM-SQWLQELKSA-N 0 1 359.430 0.429 20 30 FCEDMN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)C(=O)CCOCc1c[nH]nn1 ZINC001575593475 1272224166 /nfs/dbraw/zinc/22/41/66/1272224166.db2.gz HRNINBFIUBUFID-NSHDSACASA-N 0 1 359.390 0.188 20 30 FCEDMN C[C@H](CNC(=O)c1ccc(-c2c[nH]nn2)nc1)N(C)c1cncc(C#N)n1 ZINC001575604184 1272229877 /nfs/dbraw/zinc/22/98/77/1272229877.db2.gz RZGFFWFBKSXMFE-LLVKDONJSA-N 0 1 363.385 0.783 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC(C)(Nc2cncc(C#N)n2)CC1 ZINC001575734075 1272401507 /nfs/dbraw/zinc/40/15/07/1272401507.db2.gz ALYXBYJEZABYSU-LBPRGKRZSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001575735296 1272404167 /nfs/dbraw/zinc/40/41/67/1272404167.db2.gz NTDQWZLPMIMCHC-CQSZACIVSA-N 0 1 371.441 0.788 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC(NC(=O)CSCC#N)CC1 ZINC001575740667 1272410142 /nfs/dbraw/zinc/41/01/42/1272410142.db2.gz FHJWWYAZGUJOFN-LLVKDONJSA-N 0 1 366.447 0.074 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](CN(C)c2ccc(C#N)nc2)C1 ZINC001575741725 1272411303 /nfs/dbraw/zinc/41/13/03/1272411303.db2.gz KROVHZJMMHGDMY-KBPBESRZSA-N 0 1 369.429 0.961 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001575822551 1272482078 /nfs/dbraw/zinc/48/20/78/1272482078.db2.gz KHZSGBGKJAMOSX-NEPJUHHUSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001575831104 1272497513 /nfs/dbraw/zinc/49/75/13/1272497513.db2.gz ZNJZJHBAHDEMCD-CPUCHLNUSA-N 0 1 373.457 0.867 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001575834739 1272499623 /nfs/dbraw/zinc/49/96/23/1272499623.db2.gz NTUJUQNHJVQYIT-IVMMDQJWSA-N 0 1 357.414 0.183 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H](CNC(=O)C#CC1CC1)C1CCCC1 ZINC001575837871 1272507364 /nfs/dbraw/zinc/50/73/64/1272507364.db2.gz CGBMQHKVLROCFE-GUYCJALGSA-N 0 1 373.457 0.914 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001575880855 1272544706 /nfs/dbraw/zinc/54/47/06/1272544706.db2.gz XQZFBLZDUUDWIQ-FRRDWIJNSA-N 0 1 370.417 0.768 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCc1cccc2c1CCN(CC#N)C2 ZINC001575880995 1272545331 /nfs/dbraw/zinc/54/53/31/1272545331.db2.gz YXQJWOVSPMAJEB-CYBMUJFWSA-N 0 1 354.414 0.908 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001575888127 1272547877 /nfs/dbraw/zinc/54/78/77/1272547877.db2.gz OXDZJRFYEAPAPS-IJLUTSLNSA-N 0 1 356.390 0.378 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001575890814 1272552124 /nfs/dbraw/zinc/55/21/24/1272552124.db2.gz ZWYWCWBVOFVAEP-WBVHZDCISA-N 0 1 353.426 0.952 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001575890813 1272552183 /nfs/dbraw/zinc/55/21/83/1272552183.db2.gz ZWYWCWBVOFVAEP-RDJZCZTQSA-N 0 1 353.426 0.952 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001576012595 1272714064 /nfs/dbraw/zinc/71/40/64/1272714064.db2.gz WCGNWBBOBDTQGZ-LRDDRELGSA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)CCOCc2c[nH]nn2)CCCN1c1cncc(C#N)n1 ZINC001576021445 1272723051 /nfs/dbraw/zinc/72/30/51/1272723051.db2.gz MNPSKOMHSDHCNA-WFASDCNBSA-N 0 1 370.417 0.547 20 30 FCEDMN C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576295313 1273106838 /nfs/dbraw/zinc/10/68/38/1273106838.db2.gz VTHZVHHFHRZJMN-ZUZCIYMTSA-N 0 1 363.385 0.456 20 30 FCEDMN CN(C(=O)CCOCc1c[nH]nn1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001576724965 1273592356 /nfs/dbraw/zinc/59/23/56/1273592356.db2.gz QSYXWXALJSTIER-CQSZACIVSA-N 0 1 371.401 0.284 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001576738667 1273607903 /nfs/dbraw/zinc/60/79/03/1273607903.db2.gz ROVCSUHCEPTLNS-AWEZNQCLSA-N 0 1 355.402 0.700 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001576738667 1273607914 /nfs/dbraw/zinc/60/79/14/1273607914.db2.gz ROVCSUHCEPTLNS-AWEZNQCLSA-N 0 1 355.402 0.700 20 30 FCEDMN CN(CC(C)(C)CNc1ccc(C#N)nn1)C(=O)CCOCc1c[nH]nn1 ZINC001576764792 1273638296 /nfs/dbraw/zinc/63/82/96/1273638296.db2.gz QUQIHGZZCIZWKS-UHFFFAOYSA-N 0 1 372.433 0.970 20 30 FCEDMN CN(CC(C)(C)CNC(=O)C#CC1CC1)C(=O)CCOCc1c[nH]nn1 ZINC001576788478 1273680392 /nfs/dbraw/zinc/68/03/92/1273680392.db2.gz WYMBKNFGDIEOFM-UHFFFAOYSA-N 0 1 361.446 0.726 20 30 FCEDMN CN(c1nccnc1C#N)[C@@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001576870142 1273842939 /nfs/dbraw/zinc/84/29/39/1273842939.db2.gz PEVDTIFHMGHOQO-CQSZACIVSA-N 0 1 354.418 0.916 20 30 FCEDMN CN(c1nccnc1C#N)[C@@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001576870142 1273842947 /nfs/dbraw/zinc/84/29/47/1273842947.db2.gz PEVDTIFHMGHOQO-CQSZACIVSA-N 0 1 354.418 0.916 20 30 FCEDMN COC(=O)c1cc(F)cc(S(=O)(=O)N(CC#N)Cc2c[nH]nn2)c1F ZINC001576921775 1273941841 /nfs/dbraw/zinc/94/18/41/1273941841.db2.gz MOMVQZDNYLXLFE-UHFFFAOYSA-N 0 1 371.325 0.584 20 30 FCEDMN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@H]1CNC[C@H]1C#N ZINC001577093614 1274152315 /nfs/dbraw/zinc/15/23/15/1274152315.db2.gz UQSOBKGTUGIESK-NFAWXSAZSA-N 0 1 350.444 0.650 20 30 FCEDMN CC[C@H](NC(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1OCC(=O)NC ZINC001577160355 1274207212 /nfs/dbraw/zinc/20/72/12/1274207212.db2.gz ZUFOEKZFBTZBIP-VHDGCEQUSA-N 0 1 359.430 0.673 20 30 FCEDMN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577197664 1274243423 /nfs/dbraw/zinc/24/34/23/1274243423.db2.gz VQGAYLSEHPLLGK-SNVBAGLBSA-N 0 1 364.369 0.615 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCOCc2c[nH]nn2)n1 ZINC001577256285 1274283515 /nfs/dbraw/zinc/28/35/15/1274283515.db2.gz LNUWLWRIRVEYSZ-GJZGRUSLSA-N 0 1 368.401 0.171 20 30 FCEDMN Cc1cc(C(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)[C@H](C)C#N)CC2)on1 ZINC001577263052 1274290249 /nfs/dbraw/zinc/29/02/49/1274290249.db2.gz PBGVDBHRSPJSSQ-LLVKDONJSA-N 0 1 371.401 0.894 20 30 FCEDMN Cc1cc(N(C)C[C@H](C)NC(=O)[C@@H](C)OCc2c[nH]nn2)c(C#N)cn1 ZINC001577338578 1274347102 /nfs/dbraw/zinc/34/71/02/1274347102.db2.gz LLNFCQFFWBHOCX-QWHCGFSZSA-N 0 1 357.418 0.926 20 30 FCEDMN Cc1cc(N2CC[C@@H](CNC(=O)[C@@H](C)OCc3c[nH]nn3)C2)c(C#N)cn1 ZINC001577339492 1274350625 /nfs/dbraw/zinc/35/06/25/1274350625.db2.gz VMEZCJKRCVNAED-KGLIPLIRSA-N 0 1 369.429 0.928 20 30 FCEDMN CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577523018 1274469443 /nfs/dbraw/zinc/46/94/43/1274469443.db2.gz KLOYWZMNKBMUMT-NEPJUHHUSA-N 0 1 355.406 0.634 20 30 FCEDMN CCN([C@H](C)CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C#N)o1 ZINC001577652207 1274652855 /nfs/dbraw/zinc/65/28/55/1274652855.db2.gz UGMGEYNPZRXAGV-GFCCVEGCSA-N 0 1 354.432 0.372 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N(CCNC(=O)CCOCc2c[nH]nn2)C2CC2)c1 ZINC001577710374 1274771237 /nfs/dbraw/zinc/77/12/37/1274771237.db2.gz ZKGUPXTVICNGKV-UHFFFAOYSA-N 0 1 371.401 0.332 20 30 FCEDMN N#CCSCC(=O)NC[C@H]1CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577710344 1274772615 /nfs/dbraw/zinc/77/26/15/1274772615.db2.gz YOWGDVCBFNDWRX-CYBMUJFWSA-N 0 1 371.426 0.454 20 30 FCEDMN O=C(C#CC1CC1)NC1(CNC(=O)CCCc2c[nH]nn2)CCOCC1 ZINC001577746301 1274822629 /nfs/dbraw/zinc/82/26/29/1274822629.db2.gz VBBBUUIFMCCTAW-UHFFFAOYSA-N 0 1 359.430 0.322 20 30 FCEDMN O=C(C#CC1CC1)NC1(CNC(=O)CCCc2cnn[nH]2)CCOCC1 ZINC001577746301 1274822636 /nfs/dbraw/zinc/82/26/36/1274822636.db2.gz VBBBUUIFMCCTAW-UHFFFAOYSA-N 0 1 359.430 0.322 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577746456 1274824022 /nfs/dbraw/zinc/82/40/22/1274824022.db2.gz ZITBSYJNXPGABL-AWEZNQCLSA-N 0 1 364.409 0.858 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577746457 1274825435 /nfs/dbraw/zinc/82/54/35/1274825435.db2.gz ZITBSYJNXPGABL-CQSZACIVSA-N 0 1 364.409 0.858 20 30 FCEDMN O=C(CC#Cc1ccccc1)NCCNC(=O)CCOCc1c[nH]nn1 ZINC001577766519 1274851158 /nfs/dbraw/zinc/85/11/58/1274851158.db2.gz UAVPBPJQNXWCML-UHFFFAOYSA-N 0 1 355.398 0.386 20 30 FCEDMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CC12CCN(C(=O)C#CC1CC1)CC2 ZINC001577878729 1275075525 /nfs/dbraw/zinc/07/55/25/1275075525.db2.gz FJSXOQVNCSZHQG-MRXNPFEDSA-N 0 1 371.441 0.622 20 30 FCEDMN CN1C(=O)NCC12CCN(C(=O)[C@@H]1NCCc3cc(C#N)ccc31)CC2 ZINC001578515969 1275952476 /nfs/dbraw/zinc/95/24/76/1275952476.db2.gz VXXVXSCHJUFJJI-MRXNPFEDSA-N 0 1 353.426 0.761 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578921082 1276463571 /nfs/dbraw/zinc/46/35/71/1276463571.db2.gz AXKRPWTVJUBWGG-UHFFFAOYSA-N 0 1 363.385 0.598 20 30 FCEDMN C[NH+](C)CCN(Cc1ccccn1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001578991901 1276565138 /nfs/dbraw/zinc/56/51/38/1276565138.db2.gz GNPGDRORJFZILN-UHFFFAOYSA-N 0 1 350.390 0.492 20 30 FCEDMN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579092129 1276730396 /nfs/dbraw/zinc/73/03/96/1276730396.db2.gz AYIUYDFXZNTZBV-SNVBAGLBSA-N 0 1 371.405 0.974 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001579286987 1277110009 /nfs/dbraw/zinc/11/00/09/1277110009.db2.gz QXIQTHJEEOANDQ-JTQLQIEISA-N 0 1 371.405 0.974 20 30 FCEDMN CNC(=O)[C@H]1Cc2ccccc2CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579386138 1277267481 /nfs/dbraw/zinc/26/74/81/1277267481.db2.gz AONXCFMHZNRJDT-CYBMUJFWSA-N 0 1 361.369 0.206 20 30 FCEDMN COC(=O)[C@H](CC1CCOCC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579433577 1277301931 /nfs/dbraw/zinc/30/19/31/1277301931.db2.gz JZGGIGMQFKBRKV-JTQLQIEISA-N 0 1 358.362 0.299 20 30 FCEDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N[C@@H]1CNC[C@H]1C#N ZINC001579433952 1277303320 /nfs/dbraw/zinc/30/33/20/1277303320.db2.gz ATDMVVYGEZAWMO-AAVRWANBSA-N 0 1 351.451 0.900 20 30 FCEDMN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579433793 1277304381 /nfs/dbraw/zinc/30/43/81/1277304381.db2.gz PFVKNELBRKGKHF-UWVGGRQHSA-N 0 1 358.362 0.299 20 30 FCEDMN COCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579792463 1277914370 /nfs/dbraw/zinc/91/43/70/1277914370.db2.gz KJEJFCDZDWMJDC-ZDUSSCGKSA-N 0 1 357.418 0.591 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603189986 1287327054 /nfs/dbraw/zinc/32/70/54/1287327054.db2.gz SXONYDJEBGWSNA-KBPBESRZSA-N 0 1 368.445 0.777 20 30 FCEDMN Cc1cc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958621 1279162206 /nfs/dbraw/zinc/16/22/06/1279162206.db2.gz GIUIUOLQQCAXSH-GFCCVEGCSA-N 0 1 363.385 0.779 20 30 FCEDMN Cc1cc(N2CCC[C@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001580966447 1279168886 /nfs/dbraw/zinc/16/88/86/1279168886.db2.gz IYMDSKWGMGZLDO-NSHDSACASA-N 0 1 365.405 0.651 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003950 1279221023 /nfs/dbraw/zinc/22/10/23/1279221023.db2.gz IJWSJKXISIOTQM-IUODEOHRSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1cc(NC[C@@H](NC(=O)C#CC(C)C)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015680 1279244610 /nfs/dbraw/zinc/24/46/10/1279244610.db2.gz BVZXHQUBXIKIAC-MRXNPFEDSA-N 0 1 353.430 0.958 20 30 FCEDMN CC(C)N(C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N)c1ccccc1 ZINC001603316321 1287352294 /nfs/dbraw/zinc/35/22/94/1287352294.db2.gz XRADXAVFAKOGSM-UHFFFAOYSA-N 0 1 351.374 0.959 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC#CCN1C(=O)c2ccccc2C1=O ZINC001581410688 1279877822 /nfs/dbraw/zinc/87/78/22/1279877822.db2.gz RQPYLRVEVWMHRC-UHFFFAOYSA-N 0 1 372.348 0.543 20 30 FCEDMN Cn1cc([C@@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2(C)C)cn1 ZINC001581767162 1280483418 /nfs/dbraw/zinc/48/34/18/1280483418.db2.gz NOMWJWGACQDJGP-NSHDSACASA-N 0 1 350.390 0.892 20 30 FCEDMN Cn1nccc1[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 ZINC001581838663 1280593296 /nfs/dbraw/zinc/59/32/96/1280593296.db2.gz ZXVFIZGNOOTQLT-BXKDBHETSA-N 0 1 352.362 0.594 20 30 FCEDMN N#Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581880546 1280641666 /nfs/dbraw/zinc/64/16/66/1280641666.db2.gz NTWCQQFJIBOADF-UHFFFAOYSA-N 0 1 369.433 0.831 20 30 FCEDMN N#Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581880546 1280641677 /nfs/dbraw/zinc/64/16/77/1280641677.db2.gz NTWCQQFJIBOADF-UHFFFAOYSA-N 0 1 369.433 0.831 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@H](N3CCCC3=O)CC2)nc1-c1nn[nH]n1 ZINC001581881823 1280642477 /nfs/dbraw/zinc/64/24/77/1280642477.db2.gz BJJAZXHMTPXECD-LLVKDONJSA-N 0 1 353.390 0.510 20 30 FCEDMN N#Cc1ncc(NC[C@H](CO)Cc2ccc(F)cc2)nc1-c1nn[nH]n1 ZINC001581882864 1280645734 /nfs/dbraw/zinc/64/57/34/1280645734.db2.gz KDVJMIQITTUDFQ-LLVKDONJSA-N 0 1 354.349 0.931 20 30 FCEDMN N#Cc1ncc(NCc2ccc(N3CCNC3=O)cc2)nc1-c1nn[nH]n1 ZINC001581884303 1280650079 /nfs/dbraw/zinc/65/00/79/1280650079.db2.gz TZMUXQZLWYBBNL-UHFFFAOYSA-N 0 1 362.357 0.670 20 30 FCEDMN C[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1cccc(C#N)c1 ZINC001603629222 1287450964 /nfs/dbraw/zinc/45/09/64/1287450964.db2.gz BQQXKTFMFATWRH-SNVBAGLBSA-N 0 1 352.362 0.390 20 30 FCEDMN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001603913970 1287530733 /nfs/dbraw/zinc/53/07/33/1287530733.db2.gz QWGVFJMLPQBTDT-DZGCQCFKSA-N 0 1 365.441 0.994 20 30 FCEDMN C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CN(C)CCN1C ZINC001586538427 1282302580 /nfs/dbraw/zinc/30/25/80/1282302580.db2.gz HWGAHWXXKFMGOP-CXAGYDPISA-N 0 1 367.457 0.690 20 30 FCEDMN C#CC[C@H](COC)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001588334035 1282428079 /nfs/dbraw/zinc/42/80/79/1282428079.db2.gz MITXLJKQQRWCAR-SECBINFHSA-N 0 1 357.342 0.462 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](CC)C1 ZINC001588336586 1282429678 /nfs/dbraw/zinc/42/96/78/1282429678.db2.gz QNCMVIIIGQDQBF-UONOGXRCSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588338132 1282430795 /nfs/dbraw/zinc/43/07/95/1282430795.db2.gz HIVDBRABUCKOHA-MRVPVSSYSA-N 0 1 369.838 0.669 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588338666 1282433079 /nfs/dbraw/zinc/43/30/79/1282433079.db2.gz NTJSIGZSPPFHLV-STQMWFEESA-N 0 1 354.418 0.934 20 30 FCEDMN C#CCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588339819 1282434288 /nfs/dbraw/zinc/43/42/88/1282434288.db2.gz WUAFXNUHAHKWLY-XJKSGUPXSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588340459 1282435804 /nfs/dbraw/zinc/43/58/04/1282435804.db2.gz QNWSVKMQGPMYHR-QGZVFWFLSA-N 0 1 370.417 0.172 20 30 FCEDMN C#CCCCCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588343496 1282440700 /nfs/dbraw/zinc/44/07/00/1282440700.db2.gz MKEMJUUHGWXOHO-QGZVFWFLSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCCO1 ZINC001588350495 1282444452 /nfs/dbraw/zinc/44/44/52/1282444452.db2.gz ACNRQWCCZBBSAN-LLVKDONJSA-N 0 1 368.405 0.487 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588354875 1282450605 /nfs/dbraw/zinc/45/06/05/1282450605.db2.gz BTBOQLLTYPBDNC-NHYWBVRUSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C(F)(F)F ZINC001588356799 1282461131 /nfs/dbraw/zinc/46/11/31/1282461131.db2.gz GGUXYMSZVNFTEZ-LDYMZIIASA-N 0 1 353.308 0.421 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588357535 1282464691 /nfs/dbraw/zinc/46/46/91/1282464691.db2.gz KNVNBOZQTPKRGS-LBPRGKRZSA-N 0 1 372.433 0.013 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588358823 1282470376 /nfs/dbraw/zinc/47/03/76/1282470376.db2.gz VIEJPSUEGUQDOZ-RYUDHWBXSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588358823 1282470381 /nfs/dbraw/zinc/47/03/81/1282470381.db2.gz VIEJPSUEGUQDOZ-RYUDHWBXSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588358644 1282470510 /nfs/dbraw/zinc/47/05/10/1282470510.db2.gz UMVAIQNXAABRMA-KBPBESRZSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588360028 1282475944 /nfs/dbraw/zinc/47/59/44/1282475944.db2.gz GGKNZQDNAVKWGT-KBPBESRZSA-N 0 1 369.429 0.230 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001588360631 1282479049 /nfs/dbraw/zinc/47/90/49/1282479049.db2.gz SZVIJTVDBUZBSD-IPYPFGDCSA-N 0 1 369.429 0.692 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001588360461 1282479060 /nfs/dbraw/zinc/47/90/60/1282479060.db2.gz QJILOJURGRQORV-KBPBESRZSA-N 0 1 369.429 0.433 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001588371398 1282492902 /nfs/dbraw/zinc/49/29/02/1282492902.db2.gz GEZWMYHLOVMXKF-LLVKDONJSA-N 0 1 363.385 0.075 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001588371327 1282493017 /nfs/dbraw/zinc/49/30/17/1282493017.db2.gz CTCFBKULAQLHSH-GFCCVEGCSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)c1 ZINC001588380397 1282495270 /nfs/dbraw/zinc/49/52/70/1282495270.db2.gz DLJVWSHPKXKWQP-GFCCVEGCSA-N 0 1 362.397 0.893 20 30 FCEDMN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588380314 1282495543 /nfs/dbraw/zinc/49/55/43/1282495543.db2.gz ATKGHEOPUGKBFP-SJKOYZFVSA-N 0 1 374.408 0.633 20 30 FCEDMN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001588403996 1282500845 /nfs/dbraw/zinc/50/08/45/1282500845.db2.gz BGKKHKFUMHCVTG-XHDPSFHLSA-N 0 1 372.433 0.071 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001588411841 1282502050 /nfs/dbraw/zinc/50/20/50/1282502050.db2.gz LCACIIRMTDCLDC-BETUJISGSA-N 0 1 354.418 0.908 20 30 FCEDMN C=C(C)CCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588411965 1282503105 /nfs/dbraw/zinc/50/31/05/1282503105.db2.gz NRAXQFDFLMMACY-LBPRGKRZSA-N 0 1 358.406 0.074 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588415052 1282504967 /nfs/dbraw/zinc/50/49/67/1282504967.db2.gz BEAVRCPYKMHKNR-NEPJUHHUSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNc1ccncc1-c1nn[nH]n1 ZINC001588443204 1282508173 /nfs/dbraw/zinc/50/81/73/1282508173.db2.gz OKJOPIQPONHUSI-WFASDCNBSA-N 0 1 357.418 0.583 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\CNc1ccncc1-c1nn[nH]n1 ZINC001588443503 1282508484 /nfs/dbraw/zinc/50/84/84/1282508484.db2.gz SORUBQUVRYCKSH-UTHDXZNRSA-N 0 1 369.429 0.749 20 30 FCEDMN C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588448322 1282509341 /nfs/dbraw/zinc/50/93/41/1282509341.db2.gz VQMXWGYVJSYWLR-CYBMUJFWSA-N 0 1 371.445 0.580 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588455145 1282510591 /nfs/dbraw/zinc/51/05/91/1282510591.db2.gz ODDUPYSDWYGOFQ-LLVKDONJSA-N 0 1 362.459 0.851 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588467833 1282514025 /nfs/dbraw/zinc/51/40/25/1282514025.db2.gz DWIQYLHPHOMCFC-RYUDHWBXSA-N 0 1 356.434 0.797 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468475 1282514201 /nfs/dbraw/zinc/51/42/01/1282514201.db2.gz KZRXQTABTNSLRW-KRWDZBQOSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468477 1282514994 /nfs/dbraw/zinc/51/49/94/1282514994.db2.gz KZRXQTABTNSLRW-QGZVFWFLSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001588478053 1282515893 /nfs/dbraw/zinc/51/58/93/1282515893.db2.gz RREZLXLYZPVKFG-HUUCEWRRSA-N 0 1 356.430 0.740 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588502988 1282540192 /nfs/dbraw/zinc/54/01/92/1282540192.db2.gz VVAXBFPGCJIEGV-MFGLSYLJSA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588505278 1282545957 /nfs/dbraw/zinc/54/59/57/1282545957.db2.gz OQILHQIHVFAMPX-ZDUSSCGKSA-N 0 1 371.854 0.856 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588505375 1282546363 /nfs/dbraw/zinc/54/63/63/1282546363.db2.gz PNJBFVXPKQGIIZ-GTNSWQLSSA-N 0 1 362.409 0.927 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588509324 1282551732 /nfs/dbraw/zinc/55/17/32/1282551732.db2.gz WWACYAWYCAUQLG-PSTGCABASA-N 0 1 357.418 0.378 20 30 FCEDMN C=C[C@@H](CC)CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588520404 1282555375 /nfs/dbraw/zinc/55/53/75/1282555375.db2.gz AUFHSHYLSVFGNO-HIFPTAJRSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588521548 1282555761 /nfs/dbraw/zinc/55/57/61/1282555761.db2.gz PHZQXAUBIXUBMU-JHJVBQTASA-N 0 1 356.434 0.940 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588538088 1282563633 /nfs/dbraw/zinc/56/36/33/1282563633.db2.gz IDLZQKICJSBDDS-GFCCVEGCSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588544784 1282564764 /nfs/dbraw/zinc/56/47/64/1282564764.db2.gz UCVOXIMOIDJMGH-JOCQHMNTSA-N 0 1 354.418 0.906 20 30 FCEDMN C=CCC[C@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C(=O)OCC ZINC001588578628 1282572576 /nfs/dbraw/zinc/57/25/76/1282572576.db2.gz COUSENFJKCIWND-JTQLQIEISA-N 0 1 366.403 0.438 20 30 FCEDMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588577644 1282573582 /nfs/dbraw/zinc/57/35/82/1282573582.db2.gz KGHZFUSRTHFAIF-STQMWFEESA-N 0 1 359.434 0.980 20 30 FCEDMN C=CCCOCC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001588617745 1282599850 /nfs/dbraw/zinc/59/98/50/1282599850.db2.gz YYQXHDAUPMCGTG-ZIAGYGMSSA-N 0 1 371.445 0.783 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588617073 1282599948 /nfs/dbraw/zinc/59/99/48/1282599948.db2.gz PKEPTCVWBBUCJW-AWEZNQCLSA-N 0 1 371.445 0.988 20 30 FCEDMN C=CCN1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001588657844 1282607985 /nfs/dbraw/zinc/60/79/85/1282607985.db2.gz YCGWTJWXQUTAAN-SJCJKPOMSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCOCC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588674292 1282630842 /nfs/dbraw/zinc/63/08/42/1282630842.db2.gz MJUDUEHCWYQWAE-SSDOTTSWSA-N 0 1 373.826 0.068 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588674300 1282631130 /nfs/dbraw/zinc/63/11/30/1282631130.db2.gz MJXSBCVVXUEAOR-UKRRQHHQSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001588674169 1282631293 /nfs/dbraw/zinc/63/12/93/1282631293.db2.gz JZPWXEXFXMHBQK-LBPRGKRZSA-N 0 1 370.417 0.334 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)CC1=CCCOC1 ZINC001588700186 1282653583 /nfs/dbraw/zinc/65/35/83/1282653583.db2.gz RIXLAOCDIYWZOW-UHFFFAOYSA-N 0 1 368.405 0.817 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001588699181 1282654535 /nfs/dbraw/zinc/65/45/35/1282654535.db2.gz FFIKODGFOVMNAY-QWRGUYRKSA-N 0 1 356.394 0.648 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001588709311 1282657002 /nfs/dbraw/zinc/65/70/02/1282657002.db2.gz QBAZPCBNAKFHEC-SDDRHHMPSA-N 0 1 369.437 0.765 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588718245 1282663212 /nfs/dbraw/zinc/66/32/12/1282663212.db2.gz DRHCTDRLVHXIQD-IOASZLSFSA-N 0 1 371.445 0.842 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588721786 1282667528 /nfs/dbraw/zinc/66/75/28/1282667528.db2.gz NCHWIMWPWZOVFH-TUAOUCFPSA-N 0 1 358.406 0.189 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588721919 1282668555 /nfs/dbraw/zinc/66/85/55/1282668555.db2.gz QGBQPVIUBFEGRA-XQQFMLRXSA-N 0 1 370.417 0.333 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588723314 1282670629 /nfs/dbraw/zinc/67/06/29/1282670629.db2.gz KYLUOYJKSZZBEC-OLZOCXBDSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588723302 1282671789 /nfs/dbraw/zinc/67/17/89/1282671789.db2.gz KQPHWLKDHCEBBX-OLZOCXBDSA-N 0 1 370.417 0.333 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588724351 1282674123 /nfs/dbraw/zinc/67/41/23/1282674123.db2.gz ZMLXNNWFACDFNU-GHJWDPDVSA-N 0 1 371.445 0.890 20 30 FCEDMN C=C[C@H](CO)NS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001588728876 1282676285 /nfs/dbraw/zinc/67/62/85/1282676285.db2.gz WXQQXSFTVFARNR-MRVPVSSYSA-N 0 1 351.413 0.907 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588738150 1282680120 /nfs/dbraw/zinc/68/01/20/1282680120.db2.gz SIPJZUPCIVQKMU-CHWSQXEVSA-N 0 1 354.418 0.531 20 30 FCEDMN CC#CCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588746210 1282684392 /nfs/dbraw/zinc/68/43/92/1282684392.db2.gz NVIHLFPRTKZKQJ-UHFFFAOYSA-N 0 1 370.417 0.977 20 30 FCEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588970411 1282745050 /nfs/dbraw/zinc/74/50/50/1282745050.db2.gz HYBISDNVJSIVAX-VIFPVBQESA-N 0 1 359.350 0.875 20 30 FCEDMN C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588991391 1282757695 /nfs/dbraw/zinc/75/76/95/1282757695.db2.gz GBIDYPUOQXLMCP-JTQLQIEISA-N 0 1 353.346 0.086 20 30 FCEDMN C[C@H](C(=O)Nc1ccc(F)cc1OCC#N)n1cnc(-c2nn[nH]n2)n1 ZINC001589017688 1282768293 /nfs/dbraw/zinc/76/82/93/1282768293.db2.gz GXBBPEKPCVIJJY-MRVPVSSYSA-N 0 1 357.309 0.699 20 30 FCEDMN C[C@@H](C(=O)OCCCC1(C#N)CCOCC1)n1cnc(-c2nn[nH]n2)n1 ZINC001589028895 1282776267 /nfs/dbraw/zinc/77/62/67/1282776267.db2.gz ZIDNUYFDCIZTFL-NSHDSACASA-N 0 1 360.378 0.663 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589384675 1282861025 /nfs/dbraw/zinc/86/10/25/1282861025.db2.gz NENYGWSDCOFLPN-UONOGXRCSA-N 0 1 368.445 0.777 20 30 FCEDMN CCN(C[C@H](C)C#N)C(=O)CSc1nc(O)cc(=O)n1CCOC ZINC001641459338 1282952287 /nfs/dbraw/zinc/95/22/87/1282952287.db2.gz XSOBBAWZFZINEB-LLVKDONJSA-N 0 1 354.432 0.696 20 30 FCEDMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC001589753039 1282978826 /nfs/dbraw/zinc/97/88/26/1282978826.db2.gz LHHWBXQTCUSDHV-YPMHNXCESA-N 0 1 356.390 0.887 20 30 FCEDMN CC(C)[C@@H](CCNC(=O)C#CC1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589762673 1282985562 /nfs/dbraw/zinc/98/55/62/1282985562.db2.gz SIPITNXRNCJPIE-CYBMUJFWSA-N 0 1 354.418 0.435 20 30 FCEDMN CC1(C)C(=O)N[C@H]1C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001590072409 1283204241 /nfs/dbraw/zinc/20/42/41/1283204241.db2.gz HMOCPFWRCZWXQK-ZDUSSCGKSA-N 0 1 353.390 0.269 20 30 FCEDMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001590209149 1283331396 /nfs/dbraw/zinc/33/13/96/1283331396.db2.gz JZCATUPYJAGGRS-JQWIXIFHSA-N 0 1 363.385 0.598 20 30 FCEDMN C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001682111429 1283530446 /nfs/dbraw/zinc/53/04/46/1283530446.db2.gz IYUOPPQAJSOHLZ-CYBMUJFWSA-N 0 1 362.434 0.240 20 30 FCEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001604522567 1287650410 /nfs/dbraw/zinc/65/04/10/1287650410.db2.gz ZRDYBPJURWXASN-GXFFZTMASA-N 0 1 351.374 0.963 20 30 FCEDMN CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001682914863 1283804942 /nfs/dbraw/zinc/80/49/42/1283804942.db2.gz VEMYNSHWHJAGRJ-LBPRGKRZSA-N 0 1 350.423 0.240 20 30 FCEDMN CCc1nc(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001590913473 1283962621 /nfs/dbraw/zinc/96/26/21/1283962621.db2.gz WZGMSHIPZNFNSE-LBPRGKRZSA-N 0 1 351.374 0.546 20 30 FCEDMN Cc1cc(N(C)C[C@H](C)NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001591993828 1285046402 /nfs/dbraw/zinc/04/64/02/1285046402.db2.gz KEPNEZYJANQEDN-NSHDSACASA-N 0 1 360.447 0.768 20 30 FCEDMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)C#CC(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001591994051 1285046933 /nfs/dbraw/zinc/04/69/33/1285046933.db2.gz VJCMJRMBKVNUNV-CQSZACIVSA-N 0 1 371.445 0.485 20 30 FCEDMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010357 1285059689 /nfs/dbraw/zinc/05/96/89/1285059689.db2.gz ZCJLOINCHMILLW-UKRRQHHQSA-N 0 1 369.429 0.285 20 30 FCEDMN Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592035159 1285077493 /nfs/dbraw/zinc/07/74/93/1285077493.db2.gz YHBGXDKIRPFRFA-RYUDHWBXSA-N 0 1 374.474 0.944 20 30 FCEDMN Cc1cc(N[C@H](CNC(=O)C#CC2CC2)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592034795 1285079664 /nfs/dbraw/zinc/07/96/64/1285079664.db2.gz NLRXNSKFIVLYMG-MRXNPFEDSA-N 0 1 351.414 0.712 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CSCCC#N)CC2)o1 ZINC001592337478 1285248714 /nfs/dbraw/zinc/24/87/14/1285248714.db2.gz ZRXQUCYHAXDVEZ-UHFFFAOYSA-N 0 1 362.419 0.459 20 30 FCEDMN Cc1nc([C@@H](C)NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001592440973 1285371706 /nfs/dbraw/zinc/37/17/06/1285371706.db2.gz JTFWAFSPYNTQGP-NOZJJQNGSA-N 0 1 351.374 0.853 20 30 FCEDMN Cn1cc([C@H]2C[C@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)cn1 ZINC001592568891 1285483104 /nfs/dbraw/zinc/48/31/04/1285483104.db2.gz CDOUWUFOCLKEHL-ZYHUDNBSSA-N 0 1 352.362 0.594 20 30 FCEDMN N#CCC[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001592675499 1285569081 /nfs/dbraw/zinc/56/90/81/1285569081.db2.gz VRKIQECVWWZTBS-CYBMUJFWSA-N 0 1 366.389 0.802 20 30 FCEDMN N#CCCN(C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N)c1ccccc1 ZINC001592677102 1285569903 /nfs/dbraw/zinc/56/99/03/1285569903.db2.gz YLZREAIEFWNYDN-UHFFFAOYSA-N 0 1 362.357 0.464 20 30 FCEDMN N#CCSCC(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001592680486 1285578365 /nfs/dbraw/zinc/57/83/65/1285578365.db2.gz PHAKXGVQCVRZPH-GFCCVEGCSA-N 0 1 372.458 0.733 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001592683940 1285580412 /nfs/dbraw/zinc/58/04/12/1285580412.db2.gz IEZRBYKVTMBVAM-SNVBAGLBSA-N 0 1 357.378 0.671 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001592682127 1285581642 /nfs/dbraw/zinc/58/16/42/1285581642.db2.gz QCHGODZLZKHFMD-SNVBAGLBSA-N 0 1 365.357 0.157 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001592684247 1285583613 /nfs/dbraw/zinc/58/36/13/1285583613.db2.gz VPXRMGKBYQSVPJ-UHFFFAOYSA-N 0 1 360.341 0.728 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)c1cccc(N2CCCC2=O)c1 ZINC001592684132 1285584071 /nfs/dbraw/zinc/58/40/71/1285584071.db2.gz OWDJEWJHMVSHFG-UHFFFAOYSA-N 0 1 362.353 0.945 20 30 FCEDMN N#Cc1ccc(NCCNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)nc1 ZINC001592697468 1285588844 /nfs/dbraw/zinc/58/88/44/1285588844.db2.gz YHNBMXDUXNTKDK-UHFFFAOYSA-N 0 1 350.342 0.681 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001592767357 1285689774 /nfs/dbraw/zinc/68/97/74/1285689774.db2.gz BKWKMAOUBVKOGE-MRVPVSSYSA-N 0 1 367.822 0.279 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592768669 1285693061 /nfs/dbraw/zinc/69/30/61/1285693061.db2.gz OJZMGEJDNAUVJJ-KBPBESRZSA-N 0 1 351.414 0.936 20 30 FCEDMN O=C(CC#Cc1ccccc1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592802727 1285723498 /nfs/dbraw/zinc/72/34/98/1285723498.db2.gz GVNNRJYFGIOASA-OAHLLOKOSA-N 0 1 374.408 0.793 20 30 FCEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC001602719761 1287073918 /nfs/dbraw/zinc/07/39/18/1287073918.db2.gz HFFUWKJRSVJMKO-UHFFFAOYSA-N 0 1 374.470 0.893 20 30 FCEDMN C#CCN1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)c(OC)c2)CC1 ZINC001602721859 1287079108 /nfs/dbraw/zinc/07/91/08/1287079108.db2.gz ZGFXSJBQUIFJPN-UHFFFAOYSA-N 0 1 369.429 0.772 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602726558 1287090278 /nfs/dbraw/zinc/09/02/78/1287090278.db2.gz SOHIAQHETMKQDJ-ZDUSSCGKSA-N 0 1 357.418 0.551 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001602729500 1287097789 /nfs/dbraw/zinc/09/77/89/1287097789.db2.gz VBNAKAQDQWZYRP-INIZCTEOSA-N 0 1 371.445 0.585 20 30 FCEDMN C#Cc1ccc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001602737202 1287098819 /nfs/dbraw/zinc/09/88/19/1287098819.db2.gz NFNAPSBPKSGKQI-UHFFFAOYSA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001602735886 1287099268 /nfs/dbraw/zinc/09/92/68/1287099268.db2.gz VDWLLTMPYYOBOH-CQSZACIVSA-N 0 1 374.408 0.634 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001602735850 1287099744 /nfs/dbraw/zinc/09/97/44/1287099744.db2.gz UJTRCTIAIJZUNW-PXAZEXFGSA-N 0 1 374.408 0.633 20 30 FCEDMN C=C(C)CN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC1CC1 ZINC001602758651 1287105670 /nfs/dbraw/zinc/10/56/70/1287105670.db2.gz LMCQNQGVKOSKNY-UHFFFAOYSA-N 0 1 355.410 0.520 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001602792003 1287116836 /nfs/dbraw/zinc/11/68/36/1287116836.db2.gz CWSJBAZCXFAYCB-INIZCTEOSA-N 0 1 357.418 0.380 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001602795675 1287120326 /nfs/dbraw/zinc/12/03/26/1287120326.db2.gz VKWRTCQVAFYXBV-GOSISDBHSA-N 0 1 371.445 0.804 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001602795676 1287121244 /nfs/dbraw/zinc/12/12/44/1287121244.db2.gz VKWRTCQVAFYXBV-SFHVURJKSA-N 0 1 371.445 0.804 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001602841504 1287129963 /nfs/dbraw/zinc/12/99/63/1287129963.db2.gz ZHCJAQHFRQLDPB-UPJWGTAASA-N 0 1 372.433 0.721 20 30 FCEDMN C=CCCOCC(=O)N(CC)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602845146 1287133952 /nfs/dbraw/zinc/13/39/52/1287133952.db2.gz XCNVRMDVIFRLIL-CYBMUJFWSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602866654 1287140519 /nfs/dbraw/zinc/14/05/19/1287140519.db2.gz HMKFWOYBSHAHQX-VXGBXAGGSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCn1cc(C(=O)NCCN(CC)c2ccncc2-c2nn[nH]n2)nn1 ZINC001602882601 1287148009 /nfs/dbraw/zinc/14/80/09/1287148009.db2.gz PDNRGSNJURNTRV-UHFFFAOYSA-N 0 1 368.405 0.296 20 30 FCEDMN CC#CCCCC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001602892759 1287150629 /nfs/dbraw/zinc/15/06/29/1287150629.db2.gz YCHRIIYXEYLSOV-UHFFFAOYSA-N 0 1 357.418 0.110 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001602982175 1287173197 /nfs/dbraw/zinc/17/31/97/1287173197.db2.gz PTHNTBZRVHTSAO-MEDUHNTESA-N 0 1 353.390 0.245 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602984318 1287173981 /nfs/dbraw/zinc/17/39/81/1287173981.db2.gz WRNBAOKMROOBDM-MEDUHNTESA-N 0 1 355.406 0.539 20 30 FCEDMN C[C@@H](C#N)C(=O)NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602982943 1287174205 /nfs/dbraw/zinc/17/42/05/1287174205.db2.gz BGYOBEVOBYKQPU-NSHDSACASA-N 0 1 353.390 0.459 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603051437 1287197846 /nfs/dbraw/zinc/19/78/46/1287197846.db2.gz KXWANSRKAMBISA-QWHCGFSZSA-N 0 1 368.445 0.825 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001603051354 1287198723 /nfs/dbraw/zinc/19/87/23/1287198723.db2.gz HWIFEDMUBGCGAH-GOSISDBHSA-N 0 1 368.445 0.825 20 30 FCEDMN COCCN1CC[C@@H](NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001605104599 1287881101 /nfs/dbraw/zinc/88/11/01/1287881101.db2.gz HATXHUCKMGMCMC-JKSUJKDBSA-N 0 1 369.429 0.386 20 30 FCEDMN Cc1cc(N[C@H](C)CCNC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721175 1288061676 /nfs/dbraw/zinc/06/16/76/1288061676.db2.gz RRMBQTGLGRFZOM-SNVBAGLBSA-N 0 1 360.447 0.556 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2ccc(F)c(S(N)(=O)=O)c2)o1 ZINC001609445925 1289155374 /nfs/dbraw/zinc/15/53/74/1289155374.db2.gz BDKZCRFTNRGFPP-UHFFFAOYSA-N 0 1 366.338 0.396 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001606350926 1288267141 /nfs/dbraw/zinc/26/71/41/1288267141.db2.gz HBYXBYWZWGUWIA-DGCLKSJQSA-N 0 1 372.458 0.637 20 30 FCEDMN N#Cc1ncc(N2CC[NH+](CCc3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001606397375 1288286094 /nfs/dbraw/zinc/28/60/94/1288286094.db2.gz OXMUSBHSEYMGHO-UHFFFAOYSA-N 0 1 361.413 0.893 20 30 FCEDMN N#Cc1ncc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001606398346 1288286702 /nfs/dbraw/zinc/28/67/02/1288286702.db2.gz XLWAMWPMNDLONY-CHWSQXEVSA-N 0 1 350.342 0.157 20 30 FCEDMN N#Cc1c(=O)n(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc2c1CCCC2 ZINC001608194996 1288788137 /nfs/dbraw/zinc/78/81/37/1288788137.db2.gz BDIBXKAIWHGJLR-IFXJQAMLSA-N 0 1 357.410 0.979 20 30 FCEDMN N#Cc1ccc(CN2CCC[N@H+](CCc3cn(CC(=O)[O-])nn3)CC2)cc1 ZINC001608204544 1288789049 /nfs/dbraw/zinc/78/90/49/1288789049.db2.gz DSRLDEZZOHHIEI-UHFFFAOYSA-N 0 1 368.441 0.985 20 30 FCEDMN N#Cc1ccc(C[N@H+]2CCCN(CCc3cn(CC(=O)[O-])nn3)CC2)cc1 ZINC001608204544 1288789052 /nfs/dbraw/zinc/78/90/52/1288789052.db2.gz DSRLDEZZOHHIEI-UHFFFAOYSA-N 0 1 368.441 0.985 20 30 FCEDMN N#Cc1ccc(C[N@@H+]2CCCN(CCc3cn(CC(=O)[O-])nn3)CC2)cc1 ZINC001608204544 1288789056 /nfs/dbraw/zinc/78/90/56/1288789056.db2.gz DSRLDEZZOHHIEI-UHFFFAOYSA-N 0 1 368.441 0.985 20 30 FCEDMN N#Cc1cccc(CN2CCC([NH2+]Cc3cn(CC(=O)[O-])nn3)CC2)c1 ZINC001608217530 1288792116 /nfs/dbraw/zinc/79/21/16/1288792116.db2.gz IQVXFMPHADYUNM-UHFFFAOYSA-N 0 1 354.414 0.989 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001609137323 1288944160 /nfs/dbraw/zinc/94/41/60/1288944160.db2.gz MMUZMXQZQCDTFP-UHFFFAOYSA-N 0 1 366.443 0.515 20 30 FCEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001609868679 1289321103 /nfs/dbraw/zinc/32/11/03/1289321103.db2.gz RVLCCWBIDVORBZ-CYBMUJFWSA-N 0 1 374.397 0.535 20 30 FCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001609868679 1289321111 /nfs/dbraw/zinc/32/11/11/1289321111.db2.gz RVLCCWBIDVORBZ-CYBMUJFWSA-N 0 1 374.397 0.535 20 30 FCEDMN C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2cnon2)C1 ZINC001691955587 1289351805 /nfs/dbraw/zinc/35/18/05/1289351805.db2.gz ZTOFMILYRDFUQW-QWHCGFSZSA-N 0 1 364.450 0.708 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2cc(=O)n3nccc3[nH]2)[C@@H]1CC ZINC001691976897 1289354851 /nfs/dbraw/zinc/35/48/51/1289354851.db2.gz ZICNZPPCTHBUAU-VNQPRFMTSA-N 0 1 371.441 0.530 20 30 FCEDMN C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C[C@H](C(=O)[O-])C1 ZINC001610134072 1289388445 /nfs/dbraw/zinc/38/84/45/1289388445.db2.gz MEIXDMOLGVJESO-HUUCEWRRSA-N 0 1 370.409 0.386 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCN(C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1CC ZINC001692182298 1289420544 /nfs/dbraw/zinc/42/05/44/1289420544.db2.gz CSIXFFXSNGTSKK-YESZJQIVSA-N 0 1 370.515 0.820 20 30 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1 354.414 0.272 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)c2cccc3ncnn32)[C@H](C)C1 ZINC001102123876 1220510420 /nfs/dbraw/zinc/51/04/20/1220510420.db2.gz YTVPLUKSWPXSAV-ZIAGYGMSSA-N 0 1 356.430 0.329 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2ncc3ccccn32)[C@H](C)C1 ZINC001102145230 1220522873 /nfs/dbraw/zinc/52/28/73/1220522873.db2.gz WVEDORBFPGKTIH-HUUCEWRRSA-N 0 1 353.426 0.381 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001102168269 1220530956 /nfs/dbraw/zinc/53/09/56/1220530956.db2.gz DPQFIBIGANDBCE-OAGGEKHMSA-N 0 1 364.490 0.906 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C1(C2CC2)CCOCC1 ZINC001102188970 1220542916 /nfs/dbraw/zinc/54/29/16/1220542916.db2.gz PHPGYRAMBZQOSM-HUUCEWRRSA-N 0 1 362.474 0.517 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001102192665 1220546324 /nfs/dbraw/zinc/54/63/24/1220546324.db2.gz BQDJJOAWNKQHNE-HBUWYVDXSA-N 0 1 368.478 0.355 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001102192666 1220546790 /nfs/dbraw/zinc/54/67/90/1220546790.db2.gz BQDJJOAWNKQHNE-LBTNJELSSA-N 0 1 368.478 0.355 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102193465 1220546899 /nfs/dbraw/zinc/54/68/99/1220546899.db2.gz ZOWHVGIXJLPBAT-LBTNJELSSA-N 0 1 365.478 0.521 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2cc(-c3ccco3)on2)[C@H](C)C1 ZINC001102201637 1220547613 /nfs/dbraw/zinc/54/76/13/1220547613.db2.gz FOMSCTBAJBGGTJ-ZIAGYGMSSA-N 0 1 370.409 0.982 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)CCn2nc(C)cc2C)[C@H](C)C1 ZINC001102203057 1220549762 /nfs/dbraw/zinc/54/97/62/1220549762.db2.gz ZUXFVPIMQYOFSU-RHSMWYFYSA-N 0 1 361.490 0.876 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)[C@H](C)C1 ZINC001102209157 1220552276 /nfs/dbraw/zinc/55/22/76/1220552276.db2.gz IRHVARPFTMNSEY-BXUZGUMPSA-N 0 1 361.446 0.399 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001102209269 1220553408 /nfs/dbraw/zinc/55/34/08/1220553408.db2.gz NOSKGOFDDOUNHC-TZMCWYRMSA-N 0 1 354.414 0.500 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001102210892 1220554340 /nfs/dbraw/zinc/55/43/40/1220554340.db2.gz WXYDVBRBWVOISX-OGWOLHLISA-N 0 1 370.453 0.624 20 30 FCEDMN CCN(CCC#N)C(=O)CN1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C)C1 ZINC001102254542 1220563440 /nfs/dbraw/zinc/56/34/40/1220563440.db2.gz DPXRRWKHHHEMIB-JLOCXQCDSA-N 0 1 362.474 0.325 20 30 FCEDMN CCN(CCC#N)C(=O)CN1C[C@@H](CNC(=O)[C@]2(F)CCOC2)[C@H](C)C1 ZINC001102277426 1220571508 /nfs/dbraw/zinc/57/15/08/1220571508.db2.gz GKSIPGXLQWQVIT-RKVPGOIHSA-N 0 1 368.453 0.561 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001102397671 1220610490 /nfs/dbraw/zinc/61/04/90/1220610490.db2.gz SPECWEBSKYWMSL-UKRRQHHQSA-N 0 1 356.426 0.559 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)Cc2ccccc2COC)[C@H](C)C1 ZINC001102457070 1220629772 /nfs/dbraw/zinc/62/97/72/1220629772.db2.gz HBSZOARSXWFXAG-VQIMIIECSA-N 0 1 371.481 0.809 20 30 FCEDMN C[C@H]1Cc2cc(C(=O)NC[C@@H]3CN(CC(=O)NCC#N)C[C@H]3C)ccc2O1 ZINC001102465161 1220636036 /nfs/dbraw/zinc/63/60/36/1220636036.db2.gz JVNNZOFCAWXMBA-JKIFEVAISA-N 0 1 370.453 0.947 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)c2cc3ncccn3n2)[C@H](C)C1 ZINC001102474862 1220644803 /nfs/dbraw/zinc/64/48/03/1220644803.db2.gz NUUJSEUAFPGMTE-ZIAGYGMSSA-N 0 1 356.430 0.329 20 30 FCEDMN C=CCNC(=O)NC(=O)CN1C[C@@H](CNC(=O)Cc2ccco2)[C@H](C)C1 ZINC001102477798 1220645836 /nfs/dbraw/zinc/64/58/36/1220645836.db2.gz SITGFQGDZONPCK-ZIAGYGMSSA-N 0 1 362.430 0.518 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)[C@H](C)C1 ZINC001102480175 1220647446 /nfs/dbraw/zinc/64/74/46/1220647446.db2.gz BBSYBONREOVRDP-CZUORRHYSA-N 0 1 368.441 0.015 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2cnn(CC(C)C)c2)[C@H](C)C1 ZINC001102480239 1220647474 /nfs/dbraw/zinc/64/74/74/1220647474.db2.gz FNAWOLQGTAXZGQ-HZPDHXFCSA-N 0 1 359.474 0.586 20 30 FCEDMN CC(C)Cn1cc(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)cn1 ZINC001102480187 1220647585 /nfs/dbraw/zinc/64/75/85/1220647585.db2.gz BOJBKUKGFRLSRN-HUUCEWRRSA-N 0 1 360.462 0.477 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)[C@H](C)C1 ZINC001102487041 1220650084 /nfs/dbraw/zinc/65/00/84/1220650084.db2.gz IHPBUJYFPMEKIY-UKRRQHHQSA-N 0 1 360.462 0.288 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2cnn(CC3CC3)c2)[C@H](C)C1 ZINC001102498250 1220658769 /nfs/dbraw/zinc/65/87/69/1220658769.db2.gz JHWZARQGDZQPMN-GDBMZVCRSA-N 0 1 357.458 0.340 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)c2ccc3nccn3c2)[C@H](C)C1 ZINC001102506827 1220667570 /nfs/dbraw/zinc/66/75/70/1220667570.db2.gz DKNNEKLTFODFJG-GDBMZVCRSA-N 0 1 355.442 0.934 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)Cc2ccccc2C#C)[C@H](C)C1 ZINC001102532462 1220685128 /nfs/dbraw/zinc/68/51/28/1220685128.db2.gz NFPPVLNPOIMKCL-VQIMIIECSA-N 0 1 351.450 0.644 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)CCCCCNC(C)=O)[C@H](C)C1 ZINC001102550968 1220690714 /nfs/dbraw/zinc/69/07/14/1220690714.db2.gz OHRKZOIADDCKFX-NVXWUHKLSA-N 0 1 364.490 0.116 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC001102570782 1220697930 /nfs/dbraw/zinc/69/79/30/1220697930.db2.gz UGDNSTITVAEKCP-RHSMWYFYSA-N 0 1 370.453 0.692 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](CNC(=O)c2cnc(OCC)cn2)[C@H](C)C1 ZINC001102617160 1220736672 /nfs/dbraw/zinc/73/66/72/1220736672.db2.gz JLQYBTCLKRIAIS-ZIAGYGMSSA-N 0 1 361.446 0.475 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)CCc2cncc(F)c2)[C@H](C)C1 ZINC001102618965 1220740077 /nfs/dbraw/zinc/74/00/77/1220740077.db2.gz NNHMAGHHGDQTQU-GDBMZVCRSA-N 0 1 360.433 0.587 20 30 FCEDMN C#CCNC(=O)CN1C[C@@H](CNC(=O)c2ncccc2OCC)[C@H](C)C1 ZINC001102622275 1220744639 /nfs/dbraw/zinc/74/46/39/1220744639.db2.gz NNBBSXRBEJFWGX-HUUCEWRRSA-N 0 1 358.442 0.527 20 30 FCEDMN CO[C@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CCCCC1 ZINC001102623837 1220746475 /nfs/dbraw/zinc/74/64/75/1220746475.db2.gz WCXIACHTEANBAG-KYJSFNMBSA-N 0 1 364.490 0.906 20 30 FCEDMN Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C2)n(C)n1 ZINC001102785578 1220783299 /nfs/dbraw/zinc/78/32/99/1220783299.db2.gz GAMINBFOPSVSBN-GZBFAFLISA-N 0 1 360.462 0.901 20 30 FCEDMN C#CCNC(=O)CC(=O)NCC[C@@H]1CN([C@@H](C)c2nnc(C)[nH]2)C[C@H]1C ZINC001102891528 1220803022 /nfs/dbraw/zinc/80/30/22/1220803022.db2.gz ZKSIJKPHFRLLSP-VNHYZAJKSA-N 0 1 360.462 0.388 20 30 FCEDMN C#CCNC(=O)CC(=O)NCC[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1C ZINC001102891366 1220803120 /nfs/dbraw/zinc/80/31/20/1220803120.db2.gz SMXKWOVZLYGSBQ-HZPDHXFCSA-N 0 1 359.474 0.617 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cn2c(n1)CCC2 ZINC001103002073 1220818730 /nfs/dbraw/zinc/81/87/30/1220818730.db2.gz LBNCVFUNUUDQRS-ZIAGYGMSSA-N 0 1 358.446 0.157 20 30 FCEDMN C=C(C)CCC(=O)NCC[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001103040293 1220822846 /nfs/dbraw/zinc/82/28/46/1220822846.db2.gz OOTGSFPHUQLIEB-HZPDHXFCSA-N 0 1 364.490 0.375 20 30 FCEDMN COc1cc(C(=O)NCC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)ccn1 ZINC001103174222 1220844126 /nfs/dbraw/zinc/84/41/26/1220844126.db2.gz DXDMJTAEHDCLQR-UKRRQHHQSA-N 0 1 359.430 0.418 20 30 FCEDMN CCOc1nc(C(=O)NCC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)co1 ZINC001103189299 1220848059 /nfs/dbraw/zinc/84/80/59/1220848059.db2.gz QZHOLBSVFCEMQD-CHWSQXEVSA-N 0 1 363.418 0.401 20 30 FCEDMN C=CCn1cc(C(=O)NCC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1 ZINC001103509636 1220892961 /nfs/dbraw/zinc/89/29/61/1220892961.db2.gz AVGBUBXXVCELFN-VXGBXAGGSA-N 0 1 360.422 0.176 20 30 FCEDMN CCCn1cc(C(=O)NCC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)nn1 ZINC001103585627 1220908629 /nfs/dbraw/zinc/90/86/29/1220908629.db2.gz MZIPHWPBBYMEJO-ZIAGYGMSSA-N 0 1 361.450 0.016 20 30 FCEDMN C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001103606548 1220912345 /nfs/dbraw/zinc/91/23/45/1220912345.db2.gz OPIHUAXEIYONOO-UKRRQHHQSA-N 0 1 360.458 0.673 20 30 FCEDMN C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cc2c([nH]1)CCC2 ZINC001103635392 1220921985 /nfs/dbraw/zinc/92/19/85/1220921985.db2.gz LWQWSGGWVZRBFB-UKRRQHHQSA-N 0 1 357.458 0.831 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)cn1 ZINC001103657051 1220931055 /nfs/dbraw/zinc/93/10/55/1220931055.db2.gz OZSHSDCIWYRTOB-TZMCWYRMSA-N 0 1 354.414 0.775 20 30 FCEDMN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001104097199 1221006460 /nfs/dbraw/zinc/00/64/60/1221006460.db2.gz GKKWBRKNZNNWGZ-VNHYZAJKSA-N 0 1 360.462 0.388 20 30 FCEDMN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCN[C@H](C)c2nncn2C)C1 ZINC001104097390 1221006594 /nfs/dbraw/zinc/00/65/94/1221006594.db2.gz KNKFJGFYELCQAF-RBSFLKMASA-N 0 1 360.462 0.090 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCc2nnnn2CCC)C1 ZINC001104184897 1221017705 /nfs/dbraw/zinc/01/77/05/1221017705.db2.gz URMOTCKHMLRBPB-OWCLPIDISA-N 0 1 362.478 0.696 20 30 FCEDMN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc(C)cn2)C1 ZINC001111625746 1221048194 /nfs/dbraw/zinc/04/81/94/1221048194.db2.gz 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ZINC001575318426 1271917806 /nfs/dbraw/zinc/91/78/06/1271917806.db2.gz JLCKHAOXNQXCSJ-CABCVRRESA-N 0 1 374.489 0.686 20 30 FCEDMN CC(C)C#CC(=O)NC/C=C\CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575318388 1271918035 /nfs/dbraw/zinc/91/80/35/1271918035.db2.gz IZQXJCHJBPLQHF-ARJAWSKDSA-N 0 1 372.473 0.465 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)OCc3c[nH]nn3)[C@@H]2C1 ZINC001575318027 1271918071 /nfs/dbraw/zinc/91/80/71/1271918071.db2.gz GDYVIWLFGANLSM-IIAWOOMASA-N 0 1 359.430 0.429 20 30 FCEDMN CC(C)C#CC(=O)NC/C=C/CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575318390 1271919175 /nfs/dbraw/zinc/91/91/75/1271919175.db2.gz IZQXJCHJBPLQHF-ONEGZZNKSA-N 0 1 372.473 0.465 20 30 FCEDMN CC(C)C#CC(=O)N[C@H](C)C1CCN([C@H](C)C(=O)NCc2cn[nH]n2)CC1 ZINC001575318430 1271919919 /nfs/dbraw/zinc/91/99/19/1271919919.db2.gz JLCKHAOXNQXCSJ-HUUCEWRRSA-N 0 1 374.489 0.686 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)OCc1c[nH]nn1 ZINC001575319203 1271921644 /nfs/dbraw/zinc/92/16/44/1271921644.db2.gz ZYHZNAPQSAAZEH-HOCLYGCPSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N(C)c1cncc(C#N)n1 ZINC001575589285 1272219362 /nfs/dbraw/zinc/21/93/62/1272219362.db2.gz IPRZVZIYMSMOCT-DOMZBBRYSA-N 0 1 369.433 0.072 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001575717640 1272364664 /nfs/dbraw/zinc/36/46/64/1272364664.db2.gz FFBHIFSDSJRVCH-UKRRQHHQSA-N 0 1 359.430 0.430 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)C[C@@H]1CCN1C(=O)C#CC(C)(C)C ZINC001575718897 1272369357 /nfs/dbraw/zinc/36/93/57/1272369357.db2.gz LOEIJNOOMCYPDL-HIFRSBDPSA-N 0 1 361.446 0.819 20 30 FCEDMN C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575719227 1272370198 /nfs/dbraw/zinc/37/01/98/1272370198.db2.gz VQPGCWVHCQOMDO-QWHCGFSZSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1C#N ZINC001575735005 1272402770 /nfs/dbraw/zinc/40/27/70/1272402770.db2.gz KJPMFRDCIGPQER-VBNZEHGJSA-N 0 1 367.413 0.856 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001575736019 1272405703 /nfs/dbraw/zinc/40/57/03/1272405703.db2.gz SYHXKOLPWZMRCE-APPDUMDISA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@H](CNc2nccnc2C#N)C1 ZINC001575739901 1272410004 /nfs/dbraw/zinc/41/00/04/1272410004.db2.gz COQMMXUMLNMMNR-NWDGAFQWSA-N 0 1 356.390 0.332 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H]1CNc1cncc(C#N)n1 ZINC001575821317 1272480178 /nfs/dbraw/zinc/48/01/78/1272480178.db2.gz ABZPVTOSKOBFQZ-BXUZGUMPSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@](C)(CNc1ccncc1C#N)C1CC1 ZINC001575838799 1272509626 /nfs/dbraw/zinc/50/96/26/1272509626.db2.gz GIBJETTTWIBJPK-XIKOKIGWSA-N 0 1 369.429 0.795 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001575846694 1272521299 /nfs/dbraw/zinc/52/12/99/1272521299.db2.gz LRIVLYWTGIVZMC-FZMZJTMJSA-N 0 1 370.417 0.403 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001575868969 1272538061 /nfs/dbraw/zinc/53/80/61/1272538061.db2.gz RHIXERZAUUARAB-CHWSQXEVSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H](C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001575888143 1272548162 /nfs/dbraw/zinc/54/81/62/1272548162.db2.gz LDDCLGPROPDEPO-ZIAGYGMSSA-N 0 1 373.457 0.867 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001575888414 1272548652 /nfs/dbraw/zinc/54/86/52/1272548652.db2.gz PRDUWSAMFWWUEA-WZRBSPASSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001575888411 1272548833 /nfs/dbraw/zinc/54/88/33/1272548833.db2.gz PRDUWSAMFWWUEA-GMXVVIOVSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001576012596 1272714326 /nfs/dbraw/zinc/71/43/26/1272714326.db2.gz WCGNWBBOBDTQGZ-MLGOLLRUSA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)CCOCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576045700 1272771280 /nfs/dbraw/zinc/77/12/80/1272771280.db2.gz JTWIXSJYQVWDHZ-RISCZKNCSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001576126733 1272922625 /nfs/dbraw/zinc/92/26/25/1272922625.db2.gz WFXFRQOABPZUDK-RISCZKNCSA-N 0 1 356.390 0.332 20 30 FCEDMN CCN(CCCNC(=O)[C@H](C)OCc1c[nH]nn1)c1ccnc(C#N)n1 ZINC001576523559 1273409805 /nfs/dbraw/zinc/40/98/05/1273409805.db2.gz RKZYSLKAIAYZFS-LBPRGKRZSA-N 0 1 358.406 0.404 20 30 FCEDMN CN(c1nccnc1C#N)[C@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001576870141 1273843072 /nfs/dbraw/zinc/84/30/72/1273843072.db2.gz PEVDTIFHMGHOQO-AWEZNQCLSA-N 0 1 354.418 0.916 20 30 FCEDMN CN(c1nccnc1C#N)[C@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001576870141 1273843078 /nfs/dbraw/zinc/84/30/78/1273843078.db2.gz PEVDTIFHMGHOQO-AWEZNQCLSA-N 0 1 354.418 0.916 20 30 FCEDMN CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001576886896 1273878913 /nfs/dbraw/zinc/87/89/13/1273878913.db2.gz YYNXXMOVKUUQBA-JTQLQIEISA-N 0 1 351.374 0.504 20 30 FCEDMN COCC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H](C)COC)CC1 ZINC001576952715 1273973570 /nfs/dbraw/zinc/97/35/70/1273973570.db2.gz JUGGRIQFVOGIRR-HNNXBMFYSA-N 0 1 363.462 0.530 20 30 FCEDMN COCCN(Cc1c[nH]nn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001577000734 1274035231 /nfs/dbraw/zinc/03/52/31/1274035231.db2.gz DEXJRZZWMWBUPD-UHFFFAOYSA-N 0 1 357.418 0.758 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)CCCc4c[nH]nn4)C[C@@H]3C2)n1 ZINC001577255977 1274283095 /nfs/dbraw/zinc/28/30/95/1274283095.db2.gz BCTGUDFYRBNOHS-OKILXGFUSA-N 0 1 366.429 0.692 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)CCCc4cnn[nH]4)C[C@@H]3C2)n1 ZINC001577255977 1274283101 /nfs/dbraw/zinc/28/31/01/1274283101.db2.gz BCTGUDFYRBNOHS-OKILXGFUSA-N 0 1 366.429 0.692 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H](C)OCc3c[nH]nn3)C2)n1 ZINC001577256443 1274285595 /nfs/dbraw/zinc/28/55/95/1274285595.db2.gz QDASWCVKEOHBOV-VXGBXAGGSA-N 0 1 356.390 0.075 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)[C@H]2C)c(C#N)cn1 ZINC001577343954 1274353732 /nfs/dbraw/zinc/35/37/32/1274353732.db2.gz QAVXMZGXKCPMQR-XJKSGUPXSA-N 0 1 369.429 0.810 20 30 FCEDMN Cc1cc(N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)[C@@H]2C)c(C#N)cn1 ZINC001577343952 1274355092 /nfs/dbraw/zinc/35/50/92/1274355092.db2.gz QAVXMZGXKCPMQR-CJNGLKHVSA-N 0 1 369.429 0.810 20 30 FCEDMN CCC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC[N@H+]1CCOC ZINC001577393282 1274393293 /nfs/dbraw/zinc/39/32/93/1274393293.db2.gz SFORAGZCCLQCKN-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN N#CCN(Cc1c[nH]nn1)S(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001577706930 1274768297 /nfs/dbraw/zinc/76/82/97/1274768297.db2.gz YVEYJCRRECRUSE-CQSZACIVSA-N 0 1 369.447 0.436 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001577709891 1274769889 /nfs/dbraw/zinc/76/98/89/1274769889.db2.gz GWPTVDSAOPXXHT-CQSZACIVSA-N 0 1 364.475 0.881 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCCCc2cn[nH]n2)[nH]1 ZINC001577712515 1274773539 /nfs/dbraw/zinc/77/35/39/1274773539.db2.gz PQADAAUTQRZPMH-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1cnccc1N1C[C@@H](NC(=O)CCCCCc2cn[nH]n2)[C@@H](O)C1 ZINC001577719265 1274782829 /nfs/dbraw/zinc/78/28/29/1274782829.db2.gz NWGHTUMAPMPTHE-WBVHZDCISA-N 0 1 369.429 0.540 20 30 FCEDMN O=C(C#CC1CC1)N(CCO)[C@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577835398 1274949208 /nfs/dbraw/zinc/94/92/08/1274949208.db2.gz MGKLKXUFFSWQHV-KRWDZBQOSA-N 0 1 373.457 0.353 20 30 FCEDMN O=C(C#CC1CC1)N(CCO)[C@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577835398 1274949216 /nfs/dbraw/zinc/94/92/16/1274949216.db2.gz MGKLKXUFFSWQHV-KRWDZBQOSA-N 0 1 373.457 0.353 20 30 FCEDMN CCN(CCNC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001578045957 1275332908 /nfs/dbraw/zinc/33/29/08/1275332908.db2.gz UMWNLJIPACQAKS-UHFFFAOYSA-N 0 1 359.394 0.879 20 30 FCEDMN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001578955500 1276500202 /nfs/dbraw/zinc/50/02/02/1276500202.db2.gz KXOROVKBXCNXGX-GFCCVEGCSA-N 0 1 363.385 0.640 20 30 FCEDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N[C@H]1CNC[C@@H]1C#N ZINC001579433955 1277302815 /nfs/dbraw/zinc/30/28/15/1277302815.db2.gz ATDMVVYGEZAWMO-RQJABVFESA-N 0 1 351.451 0.900 20 30 FCEDMN Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580952582 1279157478 /nfs/dbraw/zinc/15/74/78/1279157478.db2.gz QDFGGPUQTBVUKP-IMJCEVDSSA-N 0 1 352.402 0.528 20 30 FCEDMN Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580989565 1279190479 /nfs/dbraw/zinc/19/04/79/1279190479.db2.gz ONICBEIWLYIVCJ-MNOVXSKESA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003949 1279220568 /nfs/dbraw/zinc/22/05/68/1279220568.db2.gz IJWSJKXISIOTQM-DOMZBBRYSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1cc(NC[C@H](NC(=O)C#CC(C)C)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015386 1279241932 /nfs/dbraw/zinc/24/19/32/1279241932.db2.gz BVZXHQUBXIKIAC-INIZCTEOSA-N 0 1 353.430 0.958 20 30 FCEDMN Cc1cc(NCC2(NC(=O)[C@@H](C)C#N)CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581019402 1279250421 /nfs/dbraw/zinc/25/04/21/1279250421.db2.gz ZDWIYLRCDXXJAU-NSHDSACASA-N 0 1 354.418 0.993 20 30 FCEDMN Cc1cccnc1NC(=O)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001581266088 1279544195 /nfs/dbraw/zinc/54/41/95/1279544195.db2.gz CXUHHZMPIIQURF-UHFFFAOYSA-N 0 1 350.346 0.673 20 30 FCEDMN Cc1nc(C#N)c(N2CCC(C(=O)Nc3c[nH]nc3-c3nn[nH]n3)CC2)o1 ZINC001581411642 1279881507 /nfs/dbraw/zinc/88/15/07/1279881507.db2.gz DYWMXSRDIRIBPD-UHFFFAOYSA-N 0 1 368.361 0.613 20 30 FCEDMN Cc1noc(C)c1CN1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001581632266 1280292648 /nfs/dbraw/zinc/29/26/48/1280292648.db2.gz FYVRBZHYSQCSAF-UHFFFAOYSA-N 0 1 366.389 0.455 20 30 FCEDMN N#Cc1cc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)c[nH]1 ZINC001581866000 1280620378 /nfs/dbraw/zinc/62/03/78/1280620378.db2.gz RDYJSWMZQCYWKY-UHFFFAOYSA-N 0 1 362.397 0.928 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001581866388 1280620738 /nfs/dbraw/zinc/62/07/38/1280620738.db2.gz ZXCSXHBGYDZIKX-GFCCVEGCSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1cc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581865466 1280620961 /nfs/dbraw/zinc/62/09/61/1280620961.db2.gz KEQOZIMVBGLJOK-UHFFFAOYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(CC(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)cn1 ZINC001581869207 1280625541 /nfs/dbraw/zinc/62/55/41/1280625541.db2.gz NBGOTGTTWJKGKV-UHFFFAOYSA-N 0 1 372.352 0.895 20 30 FCEDMN N#Cc1ncc(NCC(=O)Nc2ccc(F)c(F)c2)nc1-c1nn[nH]n1 ZINC001581882669 1280643309 /nfs/dbraw/zinc/64/33/09/1280643309.db2.gz FMAGVKXUKXOWNX-UHFFFAOYSA-N 0 1 357.284 0.857 20 30 FCEDMN N#Cc1ncc(NC[C@@H]2CS(=O)(=O)c3ccccc32)nc1-c1nn[nH]n1 ZINC001581883922 1280650570 /nfs/dbraw/zinc/65/05/70/1280650570.db2.gz CCXCBCFTMMGYSI-SECBINFHSA-N 0 1 368.382 0.511 20 30 FCEDMN O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001581912722 1280716313 /nfs/dbraw/zinc/71/63/13/1280716313.db2.gz VZSSTHSCSFNYIG-SCLBCKFNSA-N 0 1 364.413 0.688 20 30 FCEDMN COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001631653429 1282103140 /nfs/dbraw/zinc/10/31/40/1282103140.db2.gz DUTWWEICSYZCQA-UHFFFAOYSA-N 0 1 371.397 0.972 20 30 FCEDMN N#Cc1ccnc(N2CCN(C(=O)NCc3n[nH]c(C4CC4)n3)CC2)c1 ZINC001635642257 1282420237 /nfs/dbraw/zinc/42/02/37/1282420237.db2.gz MZMWVDUALDTKEM-UHFFFAOYSA-N 0 1 352.402 0.981 20 30 FCEDMN C#CC1CCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CCOC)CC1 ZINC001588331872 1282423949 /nfs/dbraw/zinc/42/39/49/1282423949.db2.gz XDNWYCHASHODSX-UHFFFAOYSA-N 0 1 368.405 0.344 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335965 1282429071 /nfs/dbraw/zinc/42/90/71/1282429071.db2.gz DNKFCVKDJXKCLU-OLZOCXBDSA-N 0 1 354.418 0.389 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335893 1282429408 /nfs/dbraw/zinc/42/94/08/1282429408.db2.gz BOSKKNRZYZMXJQ-ZIAGYGMSSA-N 0 1 368.445 0.779 20 30 FCEDMN C#CCCCC(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588335878 1282429744 /nfs/dbraw/zinc/42/97/44/1282429744.db2.gz BGBJLGQNNRZTTL-ZDUSSCGKSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588340844 1282435477 /nfs/dbraw/zinc/43/54/77/1282435477.db2.gz ILLKJCYOBFDQDS-CHWSQXEVSA-N 0 1 354.418 0.649 20 30 FCEDMN C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588348370 1282441677 /nfs/dbraw/zinc/44/16/77/1282441677.db2.gz SLZREYFQOKEZED-JSGCOSHPSA-N 0 1 366.429 0.743 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588349719 1282445292 /nfs/dbraw/zinc/44/52/92/1282445292.db2.gz WOLZRLYBSFBMCZ-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588349719 1282445296 /nfs/dbraw/zinc/44/52/96/1282445296.db2.gz WOLZRLYBSFBMCZ-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588355714 1282455331 /nfs/dbraw/zinc/45/53/31/1282455331.db2.gz LODFWHSKQPBMCN-DOMZBBRYSA-N 0 1 372.404 0.735 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588355835 1282455441 /nfs/dbraw/zinc/45/54/41/1282455441.db2.gz NMTLKCFGTWRQDA-CJNGLKHVSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588356141 1282457135 /nfs/dbraw/zinc/45/71/35/1282457135.db2.gz TZZWJUWTCYFUIQ-KGLIPLIRSA-N 0 1 369.429 0.775 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588356076 1282457746 /nfs/dbraw/zinc/45/77/46/1282457746.db2.gz SDYXNUSDUUQQIY-AXAPSJFSSA-N 0 1 369.429 0.289 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356597 1282460293 /nfs/dbraw/zinc/46/02/93/1282460293.db2.gz YEVXPTQMVXFJLZ-OLZOCXBDSA-N 0 1 357.418 0.549 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588356704 1282461852 /nfs/dbraw/zinc/46/18/52/1282461852.db2.gz FFUUKKLCMCHZOD-RHSMWYFYSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C(F)(F)F ZINC001588357141 1282462517 /nfs/dbraw/zinc/46/25/17/1282462517.db2.gz IMUAMBKFDKJNAI-MWLCHTKSSA-N 0 1 353.308 0.421 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCCN(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001588357070 1282463027 /nfs/dbraw/zinc/46/30/27/1282463027.db2.gz JAURKDXMGSNWAZ-ZDUSSCGKSA-N 0 1 374.420 0.982 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588357039 1282463176 /nfs/dbraw/zinc/46/31/76/1282463176.db2.gz IWINFXUAOCEKIO-GFCCVEGCSA-N 0 1 370.417 0.028 20 30 FCEDMN C#CCOCCC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588359370 1282474886 /nfs/dbraw/zinc/47/48/86/1282474886.db2.gz MICVCSJVPAUCGD-OAHLLOKOSA-N 0 1 355.402 0.030 20 30 FCEDMN C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588359786 1282476560 /nfs/dbraw/zinc/47/65/60/1282476560.db2.gz YIRKTSJGNNEVSY-STQMWFEESA-N 0 1 357.418 0.337 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001588364731 1282491224 /nfs/dbraw/zinc/49/12/24/1282491224.db2.gz LNMJFMLCMYYGFA-UHFFFAOYSA-N 0 1 360.381 0.600 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001588369940 1282493404 /nfs/dbraw/zinc/49/34/04/1282493404.db2.gz CUFRVFCROMJCBV-JNSHFYNHSA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588380448 1282496190 /nfs/dbraw/zinc/49/61/90/1282496190.db2.gz FNGPSYMDGJTXCU-CQSZACIVSA-N 0 1 374.408 0.894 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588476320 1282517461 /nfs/dbraw/zinc/51/74/61/1282517461.db2.gz VALWVKUQFIDZND-KRWDZBQOSA-N 0 1 372.433 0.056 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588499588 1282532785 /nfs/dbraw/zinc/53/27/85/1282532785.db2.gz KOOKVMQEGCVHLB-FZKQIMNGSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588500952 1282534207 /nfs/dbraw/zinc/53/42/07/1282534207.db2.gz HECGCIQRVSAFJB-INIZCTEOSA-N 0 1 372.433 0.247 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588501935 1282537708 /nfs/dbraw/zinc/53/77/08/1282537708.db2.gz PMZADIMTGJIROG-YVEFUNNKSA-N 0 1 372.433 0.199 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588504148 1282542747 /nfs/dbraw/zinc/54/27/47/1282542747.db2.gz JKCXQQWQQFYFGB-DIFFPNOSSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCCN(CC)c1ccncc1-c1nn[nH]n1 ZINC001588505392 1282545208 /nfs/dbraw/zinc/54/52/08/1282545208.db2.gz PVRDWFLDQHEGPG-KRWDZBQOSA-N 0 1 359.434 0.921 20 30 FCEDMN C=CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588571960 1282569264 /nfs/dbraw/zinc/56/92/64/1282569264.db2.gz UNWQUKXWCPFFMD-WFASDCNBSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCN1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001588609174 1282588559 /nfs/dbraw/zinc/58/85/59/1282588559.db2.gz KRQJVVRDZNSZHO-QGZVFWFLSA-N 0 1 357.418 0.688 20 30 FCEDMN C=CCCOCC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001588616273 1282594883 /nfs/dbraw/zinc/59/48/83/1282594883.db2.gz CFDWHAGLUXFEQH-GFCCVEGCSA-N 0 1 374.449 0.614 20 30 FCEDMN C=CCCOCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616084 1282596458 /nfs/dbraw/zinc/59/64/58/1282596458.db2.gz UXZDNVXRVBTTDR-CYBMUJFWSA-N 0 1 372.433 0.582 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588617308 1282599879 /nfs/dbraw/zinc/59/98/79/1282599879.db2.gz UEKKLMARHRRRRO-ZDUSSCGKSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCc1cccc(-c2nn[nH]n2)c1 ZINC001588658256 1282608097 /nfs/dbraw/zinc/60/80/97/1282608097.db2.gz DWFRIUHOVCGQGJ-GFCCVEGCSA-N 0 1 357.418 0.741 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588680797 1282637742 /nfs/dbraw/zinc/63/77/42/1282637742.db2.gz DUPHPJNFJAJRNR-ZDUSSCGKSA-N 0 1 357.418 0.679 20 30 FCEDMN C=CCOCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588680777 1282638159 /nfs/dbraw/zinc/63/81/59/1282638159.db2.gz CWXUZEAFVYWAON-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCOCCN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001588682114 1282640971 /nfs/dbraw/zinc/64/09/71/1282640971.db2.gz BMMMSNJMEFFCIL-IUODEOHRSA-N 0 1 357.418 0.544 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001588682152 1282641195 /nfs/dbraw/zinc/64/11/95/1282641195.db2.gz XNUJRIPTEKJBPK-HALDLXJZSA-N 0 1 372.404 0.755 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@H](OCC)C1 ZINC001588700158 1282652083 /nfs/dbraw/zinc/65/20/83/1282652083.db2.gz QQRBCOABJAHPEC-JTQLQIEISA-N 0 1 356.394 0.650 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@H](CF)C1 ZINC001588710000 1282655613 /nfs/dbraw/zinc/65/56/13/1282655613.db2.gz ZUZSQLOTIBPVIE-SNVBAGLBSA-N 0 1 359.373 0.080 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001588713418 1282661138 /nfs/dbraw/zinc/66/11/38/1282661138.db2.gz LFGIGWIQWFIZLJ-JTQLQIEISA-N 0 1 373.446 0.614 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001588713418 1282661151 /nfs/dbraw/zinc/66/11/51/1282661151.db2.gz LFGIGWIQWFIZLJ-JTQLQIEISA-N 0 1 373.446 0.614 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588721504 1282666789 /nfs/dbraw/zinc/66/67/89/1282666789.db2.gz JVSZUYBLAVNCEW-CULRUXPZSA-N 0 1 369.429 0.581 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588721787 1282667909 /nfs/dbraw/zinc/66/79/09/1282667909.db2.gz NCHWIMWPWZOVFH-UTUOFQBUSA-N 0 1 358.406 0.189 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)Nc1ccncc1-c1nn[nH]n1 ZINC001588724313 1282672625 /nfs/dbraw/zinc/67/26/25/1282672625.db2.gz YABOVWCFLGVVBC-ZOWXZIJZSA-N 0 1 357.418 0.581 20 30 FCEDMN CC#CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588747797 1282684369 /nfs/dbraw/zinc/68/43/69/1282684369.db2.gz VVGQWCXKONLJJX-CYBMUJFWSA-N 0 1 357.418 0.117 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588744237 1282687629 /nfs/dbraw/zinc/68/76/29/1282687629.db2.gz VINYAABXPVADJB-CHWSQXEVSA-N 0 1 354.418 0.791 20 30 FCEDMN CC(=O)NCCc1ccc(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)s1 ZINC001588865530 1282720730 /nfs/dbraw/zinc/72/07/30/1282720730.db2.gz ZCPFRJXNUCKJHA-UHFFFAOYSA-N 0 1 370.398 0.558 20 30 FCEDMN C[C@@H](C#N)C(=O)NCCOCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588929286 1282729510 /nfs/dbraw/zinc/72/95/10/1282729510.db2.gz TYVLLVKCZIONIK-NSHDSACASA-N 0 1 363.447 0.652 20 30 FCEDMN C[C@@H](C#N)C(=O)NCCOCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588929286 1282729519 /nfs/dbraw/zinc/72/95/19/1282729519.db2.gz TYVLLVKCZIONIK-NSHDSACASA-N 0 1 363.447 0.652 20 30 FCEDMN COCCN1C[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)CC1=O ZINC001639135687 1282751259 /nfs/dbraw/zinc/75/12/59/1282751259.db2.gz NXYGNNGNKQKFBW-CYBMUJFWSA-N 0 1 354.370 0.777 20 30 FCEDMN COCCN1C[C@@H](C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)CC1=O ZINC001639135688 1282751299 /nfs/dbraw/zinc/75/12/99/1282751299.db2.gz NXYGNNGNKQKFBW-ZDUSSCGKSA-N 0 1 354.370 0.777 20 30 FCEDMN C[C@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589027261 1282778584 /nfs/dbraw/zinc/77/85/84/1282778584.db2.gz MLZLXDGXYUMYJN-SECBINFHSA-N 0 1 367.329 0.073 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589068756 1282792785 /nfs/dbraw/zinc/79/27/85/1282792785.db2.gz XCXQQJOPXJBDIC-CYBMUJFWSA-N 0 1 368.445 0.779 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589385277 1282859393 /nfs/dbraw/zinc/85/93/93/1282859393.db2.gz YPVSWDSIQVSCTH-KBPBESRZSA-N 0 1 366.429 0.743 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001589387639 1282862655 /nfs/dbraw/zinc/86/26/55/1282862655.db2.gz NEAYLQDPWGHTBH-STQMWFEESA-N 0 1 354.418 0.790 20 30 FCEDMN C[C@H](CC#N)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001589788108 1283006976 /nfs/dbraw/zinc/00/69/76/1283006976.db2.gz SXWHHTUBEURIEQ-SNVBAGLBSA-N 0 1 356.390 0.930 20 30 FCEDMN CC1(C)CN(C(=O)CSCC#N)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001590102055 1283213287 /nfs/dbraw/zinc/21/32/87/1283213287.db2.gz LWEXKLCRRDXUMQ-CYBMUJFWSA-N 0 1 372.458 0.589 20 30 FCEDMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590175000 1283279556 /nfs/dbraw/zinc/27/95/56/1283279556.db2.gz KXJAFOPWCBJHHN-RYUDHWBXSA-N 0 1 354.418 0.529 20 30 FCEDMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CSCC#N ZINC001590175984 1283281972 /nfs/dbraw/zinc/28/19/72/1283281972.db2.gz YVFQNEAEKSOENK-ZYHUDNBSSA-N 0 1 358.431 0.342 20 30 FCEDMN C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001590256016 1283378478 /nfs/dbraw/zinc/37/84/78/1283378478.db2.gz ZDNNJKFVJXNZLK-AAEUAGOBSA-N 0 1 358.406 0.646 20 30 FCEDMN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590256511 1283380305 /nfs/dbraw/zinc/38/03/05/1283380305.db2.gz FXXVKMDLYVYYLX-GXTWGEPZSA-N 0 1 366.429 0.531 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC001681433069 1283495971 /nfs/dbraw/zinc/49/59/71/1283495971.db2.gz BVFUULAUDKHTHP-RDBSUJKOSA-N 0 1 367.450 0.111 20 30 FCEDMN CN(CCNC(=O)C#CC1CC1)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001591095796 1284165630 /nfs/dbraw/zinc/16/56/30/1284165630.db2.gz KDIHYQSXSITZIX-UHFFFAOYSA-N 0 1 351.823 0.942 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C#N)nc2)c1-c1nnn[n-]1 ZINC001591217301 1284355732 /nfs/dbraw/zinc/35/57/32/1284355732.db2.gz MHFYXZWYSOOFEL-UHFFFAOYSA-N 0 1 366.389 0.190 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C#N)nc2)c1-c1nn[n-]n1 ZINC001591217301 1284355736 /nfs/dbraw/zinc/35/57/36/1284355736.db2.gz MHFYXZWYSOOFEL-UHFFFAOYSA-N 0 1 366.389 0.190 20 30 FCEDMN COCC#CCN1CCC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591360226 1284494957 /nfs/dbraw/zinc/49/49/57/1284494957.db2.gz AXYMUQRMAZISSA-UHFFFAOYSA-N 0 1 357.418 0.381 20 30 FCEDMN COC[C@H](C#N)OC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001591367609 1284505554 /nfs/dbraw/zinc/50/55/54/1284505554.db2.gz ASXYGDRYJXSTKX-NSHDSACASA-N 0 1 361.362 0.461 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)N2CCO[C@](C)(C#N)C2)cc1-c1nn[nH]n1 ZINC001591702888 1284841632 /nfs/dbraw/zinc/84/16/32/1284841632.db2.gz CAXSMVOLGODWNI-CQSZACIVSA-N 0 1 361.387 0.444 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)NCc2ccc(C#N)cn2)cc1-c1nn[nH]n1 ZINC001591705026 1284850722 /nfs/dbraw/zinc/85/07/22/1284850722.db2.gz WPSGLFXWSHRIDF-UHFFFAOYSA-N 0 1 368.382 0.886 20 30 FCEDMN Cc1cc(N(C)CCCNC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001591996349 1285048092 /nfs/dbraw/zinc/04/80/92/1285048092.db2.gz HMEMQDNTJNQBFY-UHFFFAOYSA-N 0 1 360.447 0.769 20 30 FCEDMN Cc1cc(N(CCNC(=O)CSCC#N)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591998294 1285049318 /nfs/dbraw/zinc/04/93/18/1285049318.db2.gz GSWAGDRROPSPGT-UHFFFAOYSA-N 0 1 372.458 0.912 20 30 FCEDMN Cc1cc(N2CC[C@@H](CNC(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592001407 1285052671 /nfs/dbraw/zinc/05/26/71/1285052671.db2.gz ZWTXQOMDZVELOM-LBPRGKRZSA-N 0 1 372.458 0.769 20 30 FCEDMN Cc1cc(N2CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002024 1285052900 /nfs/dbraw/zinc/05/29/00/1285052900.db2.gz UCNLAMBGZPPKTD-HOCLYGCPSA-N 0 1 369.429 0.285 20 30 FCEDMN Cc1nn(C)c(N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1C#N ZINC001592007601 1285057863 /nfs/dbraw/zinc/05/78/63/1285057863.db2.gz YGSAJNPFBUGZCI-UHFFFAOYSA-N 0 1 364.417 0.810 20 30 FCEDMN Cc1cc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051818 1285097820 /nfs/dbraw/zinc/09/78/20/1285097820.db2.gz MIGQJPDCISRZLT-DMDPSCGWSA-N 0 1 354.418 0.658 20 30 FCEDMN Cc1ccccc1CCNC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001592257676 1285201889 /nfs/dbraw/zinc/20/18/89/1285201889.db2.gz IDFWQRGDQVAOMQ-UHFFFAOYSA-N 0 1 351.374 0.184 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001592335531 1285243413 /nfs/dbraw/zinc/24/34/13/1285243413.db2.gz SMJFDPRPOSXTDZ-LLVKDONJSA-N 0 1 374.405 0.879 20 30 FCEDMN N#CC1(C[C@@H](O)CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)CCC1 ZINC001592668488 1285564508 /nfs/dbraw/zinc/56/45/08/1285564508.db2.gz LNXBIHSVIGJRGS-CQSZACIVSA-N 0 1 368.445 0.829 20 30 FCEDMN N#CCSCC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001592679384 1285576199 /nfs/dbraw/zinc/57/61/99/1285576199.db2.gz PCAFAZBPIUUZSY-CYBMUJFWSA-N 0 1 358.431 0.247 20 30 FCEDMN N#CCSCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001592679574 1285576735 /nfs/dbraw/zinc/57/67/35/1285576735.db2.gz VBUZWVZYOTUFDB-UHFFFAOYSA-N 0 1 373.446 0.176 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001592686199 1285582691 /nfs/dbraw/zinc/58/26/91/1285582691.db2.gz DDLDYQXGRIEPBS-UHFFFAOYSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001592690710 1285586008 /nfs/dbraw/zinc/58/60/08/1285586008.db2.gz UDZFYTCSHUXQSS-UMSPYCQHSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ncc(NCCn2cc(-c3ccccc3)nn2)nc1-c1nn[nH]n1 ZINC001592710674 1285596951 /nfs/dbraw/zinc/59/69/51/1285596951.db2.gz UHPVFGOEUWTMMJ-UHFFFAOYSA-N 0 1 359.357 0.899 20 30 FCEDMN O=C(CC#Cc1ccccc1)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592802506 1285722514 /nfs/dbraw/zinc/72/25/14/1285722514.db2.gz CAPVTLXAPYEDKL-UHFFFAOYSA-N 0 1 362.397 0.439 20 30 FCEDMN O=C(CC#Cc1ccccc1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592803617 1285724944 /nfs/dbraw/zinc/72/49/44/1285724944.db2.gz NTGPJKOSCNPLDW-HNNXBMFYSA-N 0 1 374.408 0.533 20 30 FCEDMN O=C1c2ccccc2C(=O)N1CC#CCn1ccc(-c2nn[nH]n2)cc1=O ZINC001593413350 1286135855 /nfs/dbraw/zinc/13/58/55/1286135855.db2.gz QLDHKIYSNAJYCS-UHFFFAOYSA-N 0 1 360.333 0.328 20 30 FCEDMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2n1CC#N ZINC001593769380 1286216346 /nfs/dbraw/zinc/21/63/46/1286216346.db2.gz XXDCFODMRKMWNQ-AWEZNQCLSA-N 0 1 350.382 0.975 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602702314 1287066600 /nfs/dbraw/zinc/06/66/00/1287066600.db2.gz CWCIBGRBNXQRJS-CYBMUJFWSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCN(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CC[NH+](C)CC1 ZINC001602716676 1287074794 /nfs/dbraw/zinc/07/47/94/1287074794.db2.gz LNEJAPPHWBNQDT-UHFFFAOYSA-N 0 1 355.402 0.445 20 30 FCEDMN C#CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(C)cc(Cl)c21 ZINC001602722114 1287079396 /nfs/dbraw/zinc/07/93/96/1287079396.db2.gz AMVGVBVFUURNJL-UHFFFAOYSA-N 0 1 356.773 0.893 20 30 FCEDMN C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001602725371 1287082847 /nfs/dbraw/zinc/08/28/47/1287082847.db2.gz AQPYYJZBONLXMY-UHFFFAOYSA-N 0 1 351.428 0.278 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602726090 1287087894 /nfs/dbraw/zinc/08/78/94/1287087894.db2.gz OVWPWUXJRTVOPO-UGSOOPFHSA-N 0 1 369.429 0.693 20 30 FCEDMN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001602742587 1287101029 /nfs/dbraw/zinc/10/10/29/1287101029.db2.gz GIDUGWFKOHVJGC-KBPBESRZSA-N 0 1 373.380 0.136 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c1 ZINC001602742262 1287101238 /nfs/dbraw/zinc/10/12/38/1287101238.db2.gz AADIIOYQQJHCKV-KRWDZBQOSA-N 0 1 374.408 0.680 20 30 FCEDMN C=C(CCC(=O)[O-])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001602776243 1287110516 /nfs/dbraw/zinc/11/05/16/1287110516.db2.gz ORYZBYYXEFXXRO-UHFFFAOYSA-N 0 1 351.447 0.810 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602773306 1287110771 /nfs/dbraw/zinc/11/07/71/1287110771.db2.gz UGAMMWSUEXJGGJ-LBPRGKRZSA-N 0 1 357.418 0.237 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001602780125 1287112647 /nfs/dbraw/zinc/11/26/47/1287112647.db2.gz JEMVQYOPAQBNQK-LLVKDONJSA-N 0 1 360.422 0.124 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602790736 1287114249 /nfs/dbraw/zinc/11/42/49/1287114249.db2.gz RVLJMQNKKBAFJV-SFHVURJKSA-N 0 1 373.461 0.827 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602790183 1287115076 /nfs/dbraw/zinc/11/50/76/1287115076.db2.gz HHGPKIBOURRWMH-VCMHEYGDSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602790959 1287116637 /nfs/dbraw/zinc/11/66/37/1287116637.db2.gz WKWXFBBKSKTOKX-SJKOYZFVSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602792090 1287116963 /nfs/dbraw/zinc/11/69/63/1287116963.db2.gz DQLITFMGAPIEJY-MAUKXSAKSA-N 0 1 371.445 0.626 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001602795899 1287120393 /nfs/dbraw/zinc/12/03/93/1287120393.db2.gz VYOGWUUONZUJRB-KRWDZBQOSA-N 0 1 359.434 0.783 20 30 FCEDMN C=CC[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC001602815933 1287122459 /nfs/dbraw/zinc/12/24/59/1287122459.db2.gz FKVLOLOWILIOIM-MRVPVSSYSA-N 0 1 350.404 0.604 20 30 FCEDMN C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)OCC ZINC001602833754 1287129306 /nfs/dbraw/zinc/12/93/06/1287129306.db2.gz VGYFPCHXZBPSBU-SECBINFHSA-N 0 1 355.376 0.636 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001602843900 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/nfs/dbraw/zinc/65/70/99/1271657099.db2.gz PBDPHSUSDDHLAI-CQSZACIVSA-N 0 1 373.457 0.963 20 30 FCEDMN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN([C@@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001574928552 1271679807 /nfs/dbraw/zinc/67/98/07/1271679807.db2.gz QDDAKHVSBANENO-JKIFEVAISA-N 0 1 372.473 0.392 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)OC ZINC001574937602 1271682862 /nfs/dbraw/zinc/68/28/62/1271682862.db2.gz OBYGBTHEEXQCAY-LBPRGKRZSA-N 0 1 360.422 0.209 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC)n1CCNC(=O)c1ccco1 ZINC001574966483 1271686813 /nfs/dbraw/zinc/68/68/13/1271686813.db2.gz DEHWMOGPXAEKQF-UHFFFAOYSA-N 0 1 368.401 0.621 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CCC(N(Cc2c[nH]nn2)C(=O)CCC)CC1 ZINC001574986200 1271688837 /nfs/dbraw/zinc/68/88/37/1271688837.db2.gz VMSGCKCQHPLZOD-AWEZNQCLSA-N 0 1 360.462 0.536 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001575004937 1271690917 /nfs/dbraw/zinc/69/09/17/1271690917.db2.gz QFIISUSJHMYJKR-GOEBONIOSA-N 0 1 373.457 0.615 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001575004937 1271690930 /nfs/dbraw/zinc/69/09/30/1271690930.db2.gz QFIISUSJHMYJKR-GOEBONIOSA-N 0 1 373.457 0.615 20 30 FCEDMN C#CCOCCC(=O)N1CCN(C(=O)CCCCCc2cn[nH]n2)CC1 ZINC001575013598 1271694320 /nfs/dbraw/zinc/69/43/20/1271694320.db2.gz RZHDAFJDRSFEOO-UHFFFAOYSA-N 0 1 361.446 0.618 20 30 FCEDMN C#Cc1ccc(C(=O)NCCCNC(=O)CCOCc2c[nH]nn2)nc1 ZINC001575021334 1271695699 /nfs/dbraw/zinc/69/56/99/1271695699.db2.gz FHBDNGFUJTYFQH-UHFFFAOYSA-N 0 1 356.386 0.024 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCNC(=O)[C@H](C)OCc2c[nH]nn2)cc1 ZINC001575021813 1271696054 /nfs/dbraw/zinc/69/60/54/1271696054.db2.gz KAXBEGLVTDMNCO-ZDUSSCGKSA-N 0 1 355.398 0.580 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)nc1 ZINC001575022033 1271696911 /nfs/dbraw/zinc/69/69/11/1271696911.db2.gz LTVAHAGMYITGMM-MRXNPFEDSA-N 0 1 366.425 0.925 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)CCCc2cnn[nH]2)nc1 ZINC001575022033 1271696920 /nfs/dbraw/zinc/69/69/20/1271696920.db2.gz LTVAHAGMYITGMM-MRXNPFEDSA-N 0 1 366.425 0.925 20 30 FCEDMN C#Cc1ccc(C(=O)NCCN(C)C(=O)C2(Cc3c[nH]nn3)CCC2)nc1 ZINC001575022715 1271697683 /nfs/dbraw/zinc/69/76/83/1271697683.db2.gz SWSQVVVKDIOZJW-UHFFFAOYSA-N 0 1 366.425 0.782 20 30 FCEDMN C#Cc1ccc(C(=O)NCCN(C)C(=O)C2(Cc3cnn[nH]3)CCC2)nc1 ZINC001575022715 1271697689 /nfs/dbraw/zinc/69/76/89/1271697689.db2.gz SWSQVVVKDIOZJW-UHFFFAOYSA-N 0 1 366.425 0.782 20 30 FCEDMN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1c[nH]nn1 ZINC001575023132 1271697950 /nfs/dbraw/zinc/69/79/50/1271697950.db2.gz XGMVZTXZGSJXBU-ZDUSSCGKSA-N 0 1 374.474 0.740 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)OCc2c[nH]nn2)cn1 ZINC001575022946 1271698206 /nfs/dbraw/zinc/69/82/06/1271698206.db2.gz WRJXLHMICJTLFN-BLLLJJGKSA-N 0 1 368.397 0.117 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](C)NC(=O)CCOCc2c[nH]nn2)cn1 ZINC001575022858 1271698228 /nfs/dbraw/zinc/69/82/28/1271698228.db2.gz UTJYKSXUIPVISO-GFCCVEGCSA-N 0 1 356.386 0.022 20 30 FCEDMN C=C(Cl)CN[C@]1(CO)CCCN(C(=O)[C@H](C)OCc2cn[nH]n2)C1 ZINC001575058392 1271704829 /nfs/dbraw/zinc/70/48/29/1271704829.db2.gz ABALOAPIQAXFPG-SWLSCSKDSA-N 0 1 357.842 0.405 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H](CC)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575074343 1271710377 /nfs/dbraw/zinc/71/03/77/1271710377.db2.gz VWLMLPZWDBUNOT-FZKQIMNGSA-N 0 1 372.429 0.818 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NC[C@@]1(C)CN(CCc2c[nH]nn2)CCO1 ZINC001575075039 1271710931 /nfs/dbraw/zinc/71/09/31/1271710931.db2.gz ZDESTJIVMPEVSW-MSOLQXFVSA-N 0 1 365.478 0.783 20 30 FCEDMN C=CCC1(C(=O)N(C)C[C@H]2CCN2CC(=O)NCc2c[nH]nn2)CCC1 ZINC001575085443 1271714976 /nfs/dbraw/zinc/71/49/76/1271714976.db2.gz MLAOWLIZTHSYDM-OAHLLOKOSA-N 0 1 360.462 0.700 20 30 FCEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@H](C)OCc2cn[nH]n2)C1 ZINC001575093900 1271716024 /nfs/dbraw/zinc/71/60/24/1271716024.db2.gz RABRBBOTJFCJEX-WMLDXEAASA-N 0 1 351.451 0.883 20 30 FCEDMN C=CCOCC(=O)N1C[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C[C@@H]1C ZINC001575107744 1271721157 /nfs/dbraw/zinc/72/11/57/1271721157.db2.gz AFINJVNFRJRZJX-GXTWGEPZSA-N 0 1 370.413 0.789 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@@H]1C ZINC001575110509 1271723020 /nfs/dbraw/zinc/72/30/20/1271723020.db2.gz RWSUZHKVSYWJMU-LSDHHAIUSA-N 0 1 363.462 0.931 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@@H]1C ZINC001575110509 1271723028 /nfs/dbraw/zinc/72/30/28/1271723028.db2.gz RWSUZHKVSYWJMU-LSDHHAIUSA-N 0 1 363.462 0.931 20 30 FCEDMN C=CCOCC(=O)NC[C@@H](C)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575110308 1271724600 /nfs/dbraw/zinc/72/46/00/1271724600.db2.gz NCLFTCYJINCZOA-GFCCVEGCSA-N 0 1 358.402 0.551 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575116890 1271729937 /nfs/dbraw/zinc/72/99/37/1271729937.db2.gz BAVHCHZFPSANMZ-CABCVRRESA-N 0 1 361.446 0.868 20 30 FCEDMN CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575117314 1271730796 /nfs/dbraw/zinc/73/07/96/1271730796.db2.gz LJMGWYLOOMYODJ-KFWWJZLASA-N 0 1 361.446 0.914 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(CC)n1C[C@@]1(C)CN(C)C1=O ZINC001575121368 1271733063 /nfs/dbraw/zinc/73/30/63/1271733063.db2.gz FNMFEESDOAWYLK-QGZVFWFLSA-N 0 1 356.434 0.467 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)[C@@H]1C ZINC001575176989 1271765065 /nfs/dbraw/zinc/76/50/65/1271765065.db2.gz JKPRLNASSNODKG-LOWVWBTDSA-N 0 1 353.386 0.746 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CCOC2)CC1 ZINC001575176959 1271765426 /nfs/dbraw/zinc/76/54/26/1271765426.db2.gz JFIVJDBBLASHGK-CHWSQXEVSA-N 0 1 360.418 0.320 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575176660 1271765602 /nfs/dbraw/zinc/76/56/02/1271765602.db2.gz GXDBGFQFURJSSR-NWDGAFQWSA-N 0 1 353.386 0.605 20 30 FCEDMN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001575176216 1271765649 /nfs/dbraw/zinc/76/56/49/1271765649.db2.gz FHAUFQNCOAGOFU-QWHCGFSZSA-N 0 1 373.461 0.139 20 30 FCEDMN C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001575176773 1271765782 /nfs/dbraw/zinc/76/57/82/1271765782.db2.gz HQPMBNBZPNTYIG-CYBMUJFWSA-N 0 1 369.429 0.936 20 30 FCEDMN CC(C)N(CCN(C)C(=O)[C@@H](C)OCc1c[nH]nn1)C(=O)[C@H](C)C#N ZINC001575178897 1271767202 /nfs/dbraw/zinc/76/72/02/1271767202.db2.gz QZCKGNQACVUHQA-CHWSQXEVSA-N 0 1 350.423 0.565 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CCNC(=O)CCOCc1c[nH]nn1 ZINC001575177403 1271767703 /nfs/dbraw/zinc/76/77/03/1271767703.db2.gz LCPJNXOXMFXNBZ-DZGCQCFKSA-N 0 1 362.434 0.758 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)c1ccc(OCc2c[nH]nn2)cc1 ZINC001575180174 1271769846 /nfs/dbraw/zinc/76/98/46/1271769846.db2.gz ZYELTXJPGQRTDX-RYUDHWBXSA-N 0 1 356.386 0.778 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)CCO1 ZINC001575180078 1271770139 /nfs/dbraw/zinc/77/01/39/1271770139.db2.gz ZEUXQZQWWAVZMA-GXTWGEPZSA-N 0 1 360.418 0.021 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 ZINC001575180078 1271770143 /nfs/dbraw/zinc/77/01/43/1271770143.db2.gz ZEUXQZQWWAVZMA-GXTWGEPZSA-N 0 1 360.418 0.021 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CCCc1c[nH]nn1 ZINC001575246556 1271849114 /nfs/dbraw/zinc/84/91/14/1271849114.db2.gz NMUJWNHASZYCKT-OAHLLOKOSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CCCc1cnn[nH]1 ZINC001575246556 1271849122 /nfs/dbraw/zinc/84/91/22/1271849122.db2.gz NMUJWNHASZYCKT-OAHLLOKOSA-N 0 1 361.446 0.521 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@H](CNC(=O)CCOCc1c[nH]nn1)C1CC1 ZINC001575245667 1271850183 /nfs/dbraw/zinc/85/01/83/1271850183.db2.gz GWOKPHSHOGIODJ-HNNXBMFYSA-N 0 1 361.446 0.772 20 30 FCEDMN CC(C)C#CC(=O)NCCC1(CNC(=O)[C@@H](C)OCc2c[nH]nn2)CC1 ZINC001575317688 1271916264 /nfs/dbraw/zinc/91/62/64/1271916264.db2.gz COJBCYCLVWCXKP-CQSZACIVSA-N 0 1 361.446 0.772 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H](C)CNC(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001575318435 1271917832 /nfs/dbraw/zinc/91/78/32/1271917832.db2.gz JMGGGAXYLRIHIA-AWEZNQCLSA-N 0 1 361.446 0.424 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H](C)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001575318435 1271917839 /nfs/dbraw/zinc/91/78/39/1271917839.db2.gz JMGGGAXYLRIHIA-AWEZNQCLSA-N 0 1 361.446 0.424 20 30 FCEDMN CC(C)C#CC(=O)N[C@H](C)CCCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575318775 1271918984 /nfs/dbraw/zinc/91/89/84/1271918984.db2.gz QGHNKNQKAZZHBU-WBVHZDCISA-N 0 1 374.489 0.830 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@H]21 ZINC001575318386 1271919510 /nfs/dbraw/zinc/91/95/10/1271919510.db2.gz IYOHILUOYNGEIL-OSYLJGHBSA-N 0 1 357.458 0.998 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H](C)NC(=O)c1cccnc1OCc1c[nH]nn1 ZINC001575319031 1271921156 /nfs/dbraw/zinc/92/11/56/1271921156.db2.gz WDJFBJZIZFWGLQ-CYBMUJFWSA-N 0 1 370.413 0.673 20 30 FCEDMN CC(C)OCC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001575423930 1272087117 /nfs/dbraw/zinc/08/71/17/1272087117.db2.gz MSEJMXGOPDEBEF-CYBMUJFWSA-N 0 1 362.434 0.709 20 30 FCEDMN C[C@H](C[C@H](C)NC(=O)CCCCc1cn[nH]n1)Nc1ccnc(C#N)n1 ZINC001575516878 1272176717 /nfs/dbraw/zinc/17/67/17/1272176717.db2.gz SYHOUWXACVOLMU-OLZOCXBDSA-N 0 1 356.434 0.996 20 30 FCEDMN CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CNC[C@H]2C#N)s1 ZINC001575670753 1272282674 /nfs/dbraw/zinc/28/26/74/1272282674.db2.gz NWHWQPNOOYFYJO-MNOVXSKESA-N 0 1 350.448 0.683 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001575718121 1272364599 /nfs/dbraw/zinc/36/45/99/1272364599.db2.gz HVCSKBBXWDTOKI-FZMZJTMJSA-N 0 1 371.401 0.283 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001575736021 1272406030 /nfs/dbraw/zinc/40/60/30/1272406030.db2.gz SYHXKOLPWZMRCE-GTNSWQLSSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001575834737 1272499396 /nfs/dbraw/zinc/49/93/96/1272499396.db2.gz NTUJUQNHJVQYIT-DUVNUKRYSA-N 0 1 357.414 0.183 20 30 FCEDMN CC1(C)CN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CCOCc1c[nH]nn1 ZINC001575964083 1272617239 /nfs/dbraw/zinc/61/72/39/1272617239.db2.gz VSUDOVCQGXWPPZ-ZDUSSCGKSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)CCOCc2c[nH]nn2)CCCN1C(=O)C#CC1CC1 ZINC001576018516 1272717389 /nfs/dbraw/zinc/71/73/89/1272717389.db2.gz BCYTYIYMHZFMLV-CZUORRHYSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)CCOCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576045698 1272770613 /nfs/dbraw/zinc/77/06/13/1272770613.db2.gz JTWIXSJYQVWDHZ-BXUZGUMPSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576053095 1272783181 /nfs/dbraw/zinc/78/31/81/1272783181.db2.gz PXLNYKALLSJMHM-JQWIXIFHSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576053100 1272784561 /nfs/dbraw/zinc/78/45/61/1272784561.db2.gz PXLNYKALLSJMHM-PWSUYJOCSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001576126730 1272922024 /nfs/dbraw/zinc/92/20/24/1272922024.db2.gz WFXFRQOABPZUDK-FZMZJTMJSA-N 0 1 356.390 0.332 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127559 1272923995 /nfs/dbraw/zinc/92/39/95/1272923995.db2.gz XUNLNCBUTVGASA-BLLLJJGKSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127559 1272924000 /nfs/dbraw/zinc/92/40/00/1272924000.db2.gz XUNLNCBUTVGASA-BLLLJJGKSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCN1CC(F)(F)F ZINC001576365117 1273187142 /nfs/dbraw/zinc/18/71/42/1273187142.db2.gz OEAPHTICUZNZLA-QMMMGPOBSA-N 0 1 353.312 0.601 20 30 FCEDMN CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001576585786 1273465799 /nfs/dbraw/zinc/46/57/99/1273465799.db2.gz IOEUBVUHWQBPJK-GZBFAFLISA-N 0 1 362.434 0.267 20 30 FCEDMN CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001576585786 1273465803 /nfs/dbraw/zinc/46/58/03/1273465803.db2.gz IOEUBVUHWQBPJK-GZBFAFLISA-N 0 1 362.434 0.267 20 30 FCEDMN CCc1nc(C#N)cc(N(C)[C@H](C)CNC(=O)CCOCc2c[nH]nn2)n1 ZINC001576653990 1273509414 /nfs/dbraw/zinc/50/94/14/1273509414.db2.gz SRAZZWFUJTXCKX-GFCCVEGCSA-N 0 1 372.433 0.577 20 30 FCEDMN CCc1nc(C#N)cc(N(CC)CCNC(=O)[C@H](C)OCc2c[nH]nn2)n1 ZINC001576654095 1273511964 /nfs/dbraw/zinc/51/19/64/1273511964.db2.gz WRTNBXPWVVCYSD-LBPRGKRZSA-N 0 1 372.433 0.577 20 30 FCEDMN CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H](C)OCc2c[nH]nn2)n1 ZINC001576654119 1273512280 /nfs/dbraw/zinc/51/22/80/1273512280.db2.gz XEKCNZGLVNWCCA-NSHDSACASA-N 0 1 358.406 0.186 20 30 FCEDMN CN(c1ncc(C#N)cc1F)[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576869685 1273843279 /nfs/dbraw/zinc/84/32/79/1273843279.db2.gz DZPLJGBKCKVKQZ-AWEZNQCLSA-N 0 1 373.392 0.854 20 30 FCEDMN CN(c1ccnc(C#N)n1)C1CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001576870502 1273847188 /nfs/dbraw/zinc/84/71/88/1273847188.db2.gz YUAJWTYCACHYHO-UHFFFAOYSA-N 0 1 370.417 0.500 20 30 FCEDMN COC(=O)[C@@H](Cc1c[nH]nn1)NC(=O)c1cc2ccccc2n1CC#N ZINC001576914325 1273929711 /nfs/dbraw/zinc/92/97/11/1273929711.db2.gz WNNCNZYQPPDAEQ-CYBMUJFWSA-N 0 1 352.354 0.797 20 30 FCEDMN COC(=O)[C@@H](Cc1cnn[nH]1)NC(=O)c1cc2ccccc2n1CC#N ZINC001576914325 1273929716 /nfs/dbraw/zinc/92/97/16/1273929716.db2.gz WNNCNZYQPPDAEQ-CYBMUJFWSA-N 0 1 352.354 0.797 20 30 FCEDMN COCC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)c2ccnn2C)CC1 ZINC001576952677 1273974087 /nfs/dbraw/zinc/97/40/87/1273974087.db2.gz JNBAMJICBGONBB-UHFFFAOYSA-N 0 1 371.445 0.295 20 30 FCEDMN COCc1cncc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)c1 ZINC001577022274 1274075712 /nfs/dbraw/zinc/07/57/12/1274075712.db2.gz RXIGYTBYAAEHOD-UHFFFAOYSA-N 0 1 369.429 0.976 20 30 FCEDMN CC[C@H](Sc1nc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)cs1)C(N)=O ZINC001577189285 1274237808 /nfs/dbraw/zinc/23/78/08/1274237808.db2.gz WJDVEONGLTZSCO-GDPRMGEGSA-N 0 1 353.473 0.269 20 30 FCEDMN Cc1nonc1CN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H](C)C#N)CC1 ZINC001577625663 1274607631 /nfs/dbraw/zinc/60/76/31/1274607631.db2.gz QFZUWGRZYFJZAB-LLVKDONJSA-N 0 1 358.406 0.649 20 30 FCEDMN N#CCN1CC[C@@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)CC[C@H]21 ZINC001577706923 1274766778 /nfs/dbraw/zinc/76/67/78/1274766778.db2.gz YSVDKXDYWMDYJJ-NVXWUHKLSA-N 0 1 357.462 0.463 20 30 FCEDMN N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCc2cn[nH]n2)CCO1 ZINC001577706391 1274767283 /nfs/dbraw/zinc/76/72/83/1274767283.db2.gz FTUVAHWOUHWMJS-CABCVRRESA-N 0 1 372.433 0.999 20 30 FCEDMN N#CCN(Cc1c[nH]nn1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F ZINC001577706254 1274767850 /nfs/dbraw/zinc/76/78/50/1274767850.db2.gz ACAPGSJIWSNFQD-UHFFFAOYSA-N 0 1 362.346 0.407 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)CCOCc2c[nH]nn2)c[nH]1 ZINC001577712218 1274771025 /nfs/dbraw/zinc/77/10/25/1274771025.db2.gz FDFRYVXCAXPTAT-OAHLLOKOSA-N 0 1 371.401 0.332 20 30 FCEDMN N#CCSCC(=O)NC[C@H]1C[C@H](NC(=O)CCCc2c[nH]nn2)C1 ZINC001577710335 1274772099 /nfs/dbraw/zinc/77/20/99/1274772099.db2.gz YBVSBBLYXSZPQF-AULYBMBSSA-N 0 1 350.448 0.395 20 30 FCEDMN N#CCSCC(=O)NC[C@H]1C[C@H](NC(=O)CCCc2cnn[nH]2)C1 ZINC001577710335 1274772107 /nfs/dbraw/zinc/77/21/07/1274772107.db2.gz YBVSBBLYXSZPQF-AULYBMBSSA-N 0 1 350.448 0.395 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H](NC(=O)CCCc3c[nH]nn3)[C@H](O)C2)nc1 ZINC001577715390 1274773824 /nfs/dbraw/zinc/77/38/24/1274773824.db2.gz NWNGDXJGCPBOML-HUUCEWRRSA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1ccc(N2CC[C@@H](NC(=O)CCCc3cnn[nH]3)[C@H](O)C2)nc1 ZINC001577715390 1274773835 /nfs/dbraw/zinc/77/38/35/1274773835.db2.gz NWNGDXJGCPBOML-HUUCEWRRSA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1cc(C(=O)N2CCc3sc(CNCc4c[nH]nn4)nc3C2)c[nH]1 ZINC001577712780 1274774202 /nfs/dbraw/zinc/77/42/02/1274774202.db2.gz YUBLSVFWEWPWIK-UHFFFAOYSA-N 0 1 368.426 0.949 20 30 FCEDMN N#Cc1ccc(NC[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)nn1 ZINC001577715891 1274776244 /nfs/dbraw/zinc/77/62/44/1274776244.db2.gz YBWDSFVQRLTHIG-LBPRGKRZSA-N 0 1 356.390 0.334 20 30 FCEDMN N#Cc1cnc(N[C@]2(CO)CCCN(C(=O)CCCc3c[nH]nn3)C2)cn1 ZINC001577719116 1274783032 /nfs/dbraw/zinc/78/30/32/1274783032.db2.gz JHCHMBYFIGHYTR-QGZVFWFLSA-N 0 1 370.417 0.255 20 30 FCEDMN N#Cc1cnc(N[C@]2(CO)CCCN(C(=O)CCCc3cnn[nH]3)C2)cn1 ZINC001577719116 1274783044 /nfs/dbraw/zinc/78/30/44/1274783044.db2.gz JHCHMBYFIGHYTR-QGZVFWFLSA-N 0 1 370.417 0.255 20 30 FCEDMN N#Cc1cncc(NCC=CCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577719552 1274784054 /nfs/dbraw/zinc/78/40/54/1274784054.db2.gz VSBVZCNASFMBDR-OYADATRGSA-N 0 1 367.417 0.215 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001577743548 1274819530 /nfs/dbraw/zinc/81/95/30/1274819530.db2.gz ZQFMLZRPIXGYSX-HNNXBMFYSA-N 0 1 355.442 0.896 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001577743548 1274819536 /nfs/dbraw/zinc/81/95/36/1274819536.db2.gz ZQFMLZRPIXGYSX-HNNXBMFYSA-N 0 1 355.442 0.896 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C[C@@H]1O ZINC001577746406 1274821692 /nfs/dbraw/zinc/82/16/92/1274821692.db2.gz YKQJGYKCDRPTSK-SJORKVTESA-N 0 1 373.457 0.399 20 30 FCEDMN CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)c1c[nH]c(C#N)c1 ZINC001578110055 1275412592 /nfs/dbraw/zinc/41/25/92/1275412592.db2.gz SZSOCPMCIRKVFU-UHFFFAOYSA-N 0 1 365.401 0.766 20 30 FCEDMN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001578254583 1275555125 /nfs/dbraw/zinc/55/51/25/1275555125.db2.gz XANBISPYAKVFEW-UHFFFAOYSA-N 0 1 370.329 0.999 20 30 FCEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001578992120 1276565819 /nfs/dbraw/zinc/56/58/19/1276565819.db2.gz MSKYDUCJPDRSJT-UHFFFAOYSA-N 0 1 374.412 0.968 20 30 FCEDMN CN(CCC[N@H+](C)Cc1ccncc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579116697 1276784850 /nfs/dbraw/zinc/78/48/50/1276784850.db2.gz XYVKTSVHJUWYRR-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579116697 1276784858 /nfs/dbraw/zinc/78/48/58/1276784858.db2.gz XYVKTSVHJUWYRR-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN CN(CCC[N@H+](C)Cc1ccncc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579116697 1276784871 /nfs/dbraw/zinc/78/48/71/1276784871.db2.gz XYVKTSVHJUWYRR-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579116697 1276784874 /nfs/dbraw/zinc/78/48/74/1276784874.db2.gz XYVKTSVHJUWYRR-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN COC(=O)CCN(C[C@H]1CCCO1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579447337 1277335351 /nfs/dbraw/zinc/33/53/51/1277335351.db2.gz JEQKPDKXJGDKKQ-SNVBAGLBSA-N 0 1 358.362 0.077 20 30 FCEDMN COCCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579792457 1277914183 /nfs/dbraw/zinc/91/41/83/1277914183.db2.gz KJEJFCDZDWMJDC-CYBMUJFWSA-N 0 1 357.418 0.591 20 30 FCEDMN COCCN(CCC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579793833 1277915505 /nfs/dbraw/zinc/91/55/05/1277915505.db2.gz ZRVJHKCQOFQMJN-UHFFFAOYSA-N 0 1 374.405 0.713 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001579950384 1277976655 /nfs/dbraw/zinc/97/66/55/1277976655.db2.gz VIUXAIBAGUNGJA-YWPYICTPSA-N 0 1 369.429 0.971 20 30 FCEDMN N#CCOc1ccc(CC(=O)N2CCC[C@H]2C(=O)N2CCNCC2)cc1 ZINC001580051891 1277999128 /nfs/dbraw/zinc/99/91/28/1277999128.db2.gz AJOMSPQUEZVERX-KRWDZBQOSA-N 0 1 356.426 0.554 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)N2CCN(CCC#N)CC2)cc1-c1nn[nH]n1 ZINC001580231509 1278050694 /nfs/dbraw/zinc/05/06/94/1278050694.db2.gz WETHSEFHRLTFTG-UHFFFAOYSA-N 0 1 374.430 0.361 20 30 FCEDMN Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580987340 1279185248 /nfs/dbraw/zinc/18/52/48/1279185248.db2.gz BKTIAXVHGXXXOF-GHMZBOCLSA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581008121 1279230268 /nfs/dbraw/zinc/23/02/68/1279230268.db2.gz FSLRJXHESAWBKD-QMTHXVAHSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038854 1279276096 /nfs/dbraw/zinc/27/60/96/1279276096.db2.gz CJIHLNRHJWLJFG-HAQNSBGRSA-N 0 1 363.385 0.565 20 30 FCEDMN C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603459270 1287378594 /nfs/dbraw/zinc/37/85/94/1287378594.db2.gz TVOLVHCIUXHRQF-ZJUUUORDSA-N 0 1 361.435 0.031 20 30 FCEDMN Cn1ccnc1[C@H](O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001581798125 1280522227 /nfs/dbraw/zinc/52/22/27/1280522227.db2.gz ZRWDINHCJLUHBP-CQSZACIVSA-N 0 1 366.389 0.212 20 30 FCEDMN N#Cc1cc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581865009 1280618638 /nfs/dbraw/zinc/61/86/38/1280618638.db2.gz APNKMOGYMNGRMF-UHFFFAOYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1cc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c[nH]1 ZINC001581866383 1280619968 /nfs/dbraw/zinc/61/99/68/1280619968.db2.gz ZPZHHHYLORISCE-UHFFFAOYSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[nH]1 ZINC001581867638 1280623058 /nfs/dbraw/zinc/62/30/58/1280623058.db2.gz PQSKGOUYOGAWLR-SNVBAGLBSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[nH]1 ZINC001581867638 1280623064 /nfs/dbraw/zinc/62/30/64/1280623064.db2.gz PQSKGOUYOGAWLR-SNVBAGLBSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)nc1 ZINC001581871547 1280627681 /nfs/dbraw/zinc/62/76/81/1280627681.db2.gz ZIACTIDDPHNODQ-UHFFFAOYSA-N 0 1 359.357 0.122 20 30 FCEDMN N#Cc1cccc([C@@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)c1 ZINC001581875135 1280630114 /nfs/dbraw/zinc/63/01/14/1280630114.db2.gz WZNGLRNZFLYFNA-AWEZNQCLSA-N 0 1 359.353 0.978 20 30 FCEDMN N#Cc1ccnnc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001581876711 1280632701 /nfs/dbraw/zinc/63/27/01/1280632701.db2.gz DGPTUGHLBCNXOG-UHFFFAOYSA-N 0 1 364.373 0.720 20 30 FCEDMN N#Cc1ncc(NC2CCN(CC(F)(F)F)CC2)nc1-c1nn[nH]n1 ZINC001581882922 1280643280 /nfs/dbraw/zinc/64/32/80/1280643280.db2.gz LTQZCKNMMGNDQJ-UHFFFAOYSA-N 0 1 353.312 0.967 20 30 FCEDMN N#Cc1ncc(N2CCC(C(=O)N3CCCCC3)CC2)nc1-c1nn[nH]n1 ZINC001581882283 1280644219 /nfs/dbraw/zinc/64/42/19/1280644219.db2.gz SHPIIHQAHPNBLX-UHFFFAOYSA-N 0 1 367.417 0.757 20 30 FCEDMN N#Cc1ncc(N2CCN(Cc3cncs3)CC2)nc1-c1nn[nH]n1 ZINC001581882422 1280645224 /nfs/dbraw/zinc/64/52/24/1280645224.db2.gz YDOZIOKHNDAWAS-UHFFFAOYSA-N 0 1 354.403 0.307 20 30 FCEDMN N#Cc1ncc(NC[C@@H](n2cncn2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581883435 1280647806 /nfs/dbraw/zinc/64/78/06/1280647806.db2.gz ZPZIDUWEYCAYNG-SSDOTTSWSA-N 0 1 351.256 0.335 20 30 FCEDMN N#Cc1ncc(NCc2cc(=O)[nH]c(C3CCC3)n2)nc1-c1nn[nH]n1 ZINC001581883925 1280650987 /nfs/dbraw/zinc/65/09/87/1280650987.db2.gz CDZIIZUJKPVDQN-UHFFFAOYSA-N 0 1 350.346 0.904 20 30 FCEDMN O=C(C#CC1CC1)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581912524 1280713762 /nfs/dbraw/zinc/71/37/62/1280713762.db2.gz OWWHNBZHCWMLJE-AWEZNQCLSA-N 0 1 351.414 0.890 20 30 FCEDMN C#CC[C@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588334026 1282426894 /nfs/dbraw/zinc/42/68/94/1282426894.db2.gz LWQXENZHKBLLGM-ZDUSSCGKSA-N 0 1 351.374 0.522 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588338668 1282432332 /nfs/dbraw/zinc/43/23/32/1282432332.db2.gz GDNTWOCMVSCKLV-UONOGXRCSA-N 0 1 366.429 0.887 20 30 FCEDMN C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCCCO1 ZINC001588349979 1282443860 /nfs/dbraw/zinc/44/38/60/1282443860.db2.gz WUNARCGYTMZLJK-LLVKDONJSA-N 0 1 368.405 0.487 20 30 FCEDMN C#CC[NH+]1CCC(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)CC1 ZINC001588351782 1282447860 /nfs/dbraw/zinc/44/78/60/1282447860.db2.gz JUKAVPNRPVWWAJ-UHFFFAOYSA-N 0 1 367.413 0.618 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588355083 1282450762 /nfs/dbraw/zinc/45/07/62/1282450762.db2.gz FDKQGCOWOBYQAL-UKRRQHHQSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356174 1282457291 /nfs/dbraw/zinc/45/72/91/1282457291.db2.gz AAFDAQFHPCQDCB-CYBMUJFWSA-N 0 1 357.418 0.551 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588356398 1282458744 /nfs/dbraw/zinc/45/87/44/1282458744.db2.gz XBFMWPOMAAFJEC-PBHICJAKSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001588356496 1282461366 /nfs/dbraw/zinc/46/13/66/1282461366.db2.gz XTRNMYBGXCVSQN-SMDDNHRTSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001588356496 1282461372 /nfs/dbraw/zinc/46/13/72/1282461372.db2.gz XTRNMYBGXCVSQN-SMDDNHRTSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356487 1282461670 /nfs/dbraw/zinc/46/16/70/1282461670.db2.gz CHEYKZFFAFHTMB-AAEUAGOBSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588357185 1282462857 /nfs/dbraw/zinc/46/28/57/1282462857.db2.gz IXUORJQEPJBROO-CHWSQXEVSA-N 0 1 357.418 0.289 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588361316 1282483100 /nfs/dbraw/zinc/48/31/00/1282483100.db2.gz JVQZPRJNBSFTSA-KRWDZBQOSA-N 0 1 368.441 0.987 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588362407 1282486576 /nfs/dbraw/zinc/48/65/76/1282486576.db2.gz DZQSFPFKACUGHK-QGZVFWFLSA-N 0 1 368.441 0.987 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588362802 1282488809 /nfs/dbraw/zinc/48/88/09/1282488809.db2.gz UXDJEPPTRFKAIJ-TXEJJXNPSA-N 0 1 360.443 0.705 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588362802 1282488816 /nfs/dbraw/zinc/48/88/16/1282488816.db2.gz UXDJEPPTRFKAIJ-TXEJJXNPSA-N 0 1 360.443 0.705 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001588381296 1282498128 /nfs/dbraw/zinc/49/81/28/1282498128.db2.gz XTDXOGFORNHEOO-ZDUSSCGKSA-N 0 1 361.369 0.042 20 30 FCEDMN C#Cc1cncc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001588381066 1282498459 /nfs/dbraw/zinc/49/84/59/1282498459.db2.gz SLOGHKLOWMNNBK-AWEZNQCLSA-N 0 1 374.408 0.634 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588410121 1282501636 /nfs/dbraw/zinc/50/16/36/1282501636.db2.gz MEGDYJMBSRRBTC-OLZOCXBDSA-N 0 1 356.434 0.941 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001588419591 1282506457 /nfs/dbraw/zinc/50/64/57/1282506457.db2.gz PJZXBTVPRPALAB-VXGBXAGGSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001588468661 1282513295 /nfs/dbraw/zinc/51/32/95/1282513295.db2.gz MNVNVSZINFMOPT-NSHDSACASA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588491401 1282523360 /nfs/dbraw/zinc/52/33/60/1282523360.db2.gz GPKLMVVSSGOTGA-FZKQIMNGSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588491404 1282523583 /nfs/dbraw/zinc/52/35/83/1282523583.db2.gz GPKLMVVSSGOTGA-SCLBCKFNSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588496584 1282524939 /nfs/dbraw/zinc/52/49/39/1282524939.db2.gz SQMYIFAWYRJPOS-SJKOYZFVSA-N 0 1 374.449 0.826 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588498489 1282525928 /nfs/dbraw/zinc/52/59/28/1282525928.db2.gz AMJSAUQQHFCPFR-KRWDZBQOSA-N 0 1 362.409 0.881 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588505248 1282545582 /nfs/dbraw/zinc/54/55/82/1282545582.db2.gz OCPBECVWNGTWGK-QGZVFWFLSA-N 0 1 372.433 0.316 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588504871 1282546086 /nfs/dbraw/zinc/54/60/86/1282546086.db2.gz MGHISQUWERGUTQ-FZKQIMNGSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588505770 1282549201 /nfs/dbraw/zinc/54/92/01/1282549201.db2.gz XDKUXNYRQZNYHB-MRXNPFEDSA-N 0 1 372.433 0.247 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588509637 1282549608 /nfs/dbraw/zinc/54/96/08/1282549608.db2.gz XUDZSDONPMPLHE-PRXAMGSTSA-N 0 1 372.433 0.245 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588520777 1282555939 /nfs/dbraw/zinc/55/59/39/1282555939.db2.gz DZLQGWDZXGQYII-CHWSQXEVSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CC[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001588549781 1282567705 /nfs/dbraw/zinc/56/77/05/1282567705.db2.gz XSBOFWCJWYGOIV-GFCCVEGCSA-N 0 1 354.378 0.470 20 30 FCEDMN C=CCCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588572675 1282569607 /nfs/dbraw/zinc/56/96/07/1282569607.db2.gz NYRGEFAOGGJSAX-ZDUSSCGKSA-N 0 1 357.418 0.858 20 30 FCEDMN C=CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588571957 1282569877 /nfs/dbraw/zinc/56/98/77/1282569877.db2.gz UNWQUKXWCPFFMD-DOMZBBRYSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001588590331 1282577627 /nfs/dbraw/zinc/57/76/27/1282577627.db2.gz IGYBTWXZWSUAQS-HZPDHXFCSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588610332 1282587981 /nfs/dbraw/zinc/58/79/81/1282587981.db2.gz BJNXMYJJRATNBJ-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588615834 1282592070 /nfs/dbraw/zinc/59/20/70/1282592070.db2.gz JYEDMIKLRRTWFU-VIKVFOODSA-N 0 1 355.402 0.405 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588615689 1282592358 /nfs/dbraw/zinc/59/23/58/1282592358.db2.gz CYODOZZWQGLYID-GFCCVEGCSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001588659521 1282614106 /nfs/dbraw/zinc/61/41/06/1282614106.db2.gz NTUUNVLRJNVFAK-RYUDHWBXSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001588672403 1282626273 /nfs/dbraw/zinc/62/62/73/1282626273.db2.gz VFABYTCNZQNMCX-MRXNPFEDSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588674297 1282631169 /nfs/dbraw/zinc/63/11/69/1282631169.db2.gz MJXSBCVVXUEAOR-DZGCQCFKSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588674378 1282631248 /nfs/dbraw/zinc/63/12/48/1282631248.db2.gz NDLYOCYCYWTSQW-CYBMUJFWSA-N 0 1 357.418 0.939 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588676208 1282634121 /nfs/dbraw/zinc/63/41/21/1282634121.db2.gz RJFHHWXOJMQAJG-VXGBXAGGSA-N 0 1 358.406 0.121 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001588676397 1282634424 /nfs/dbraw/zinc/63/44/24/1282634424.db2.gz SPFDBHRDUPJKSF-CHWSQXEVSA-N 0 1 357.418 0.653 20 30 FCEDMN C=CCOCCCC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588681194 1282639800 /nfs/dbraw/zinc/63/98/00/1282639800.db2.gz KPKPUKCBJPLXFH-UHFFFAOYSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCn2cccc2C1 ZINC001588699789 1282652921 /nfs/dbraw/zinc/65/29/21/1282652921.db2.gz NKDZGRJQEMDPMB-UHFFFAOYSA-N 0 1 363.389 0.856 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001588699158 1282654510 /nfs/dbraw/zinc/65/45/10/1282654510.db2.gz DRMJLPMTJQFQDF-AOOOYVTPSA-N 0 1 356.394 0.648 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC[C@H](CF)C1 ZINC001588709976 1282656403 /nfs/dbraw/zinc/65/64/03/1282656403.db2.gz ZGZJHCMKHDEIMD-LLVKDONJSA-N 0 1 373.400 0.470 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC(C)CC1 ZINC001588709030 1282658521 /nfs/dbraw/zinc/65/85/21/1282658521.db2.gz NSEIPMJHUGUKIU-UHFFFAOYSA-N 0 1 355.410 0.520 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588718246 1282665219 /nfs/dbraw/zinc/66/52/19/1282665219.db2.gz DRHCTDRLVHXIQD-ZENOOKHLSA-N 0 1 371.445 0.842 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588721768 1282666820 /nfs/dbraw/zinc/66/68/20/1282666820.db2.gz MNZVBURJDDDYKL-ZOWXZIJZSA-N 0 1 355.402 0.288 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588723498 1282672228 /nfs/dbraw/zinc/67/22/28/1282672228.db2.gz OBLYMTZFERIBAR-UTUOFQBUSA-N 0 1 358.406 0.189 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001588737169 1282680065 /nfs/dbraw/zinc/68/00/65/1282680065.db2.gz JODDXHREYNZCSF-OKILXGFUSA-N 0 1 366.429 0.745 20 30 FCEDMN C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001638313846 1282683071 /nfs/dbraw/zinc/68/30/71/1282683071.db2.gz YOIGADIRCSXIIY-KGLIPLIRSA-N 0 1 373.457 0.980 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588926626 1282726760 /nfs/dbraw/zinc/72/67/60/1282726760.db2.gz JOAGGXYYRGCAEM-NEPJUHHUSA-N 0 1 355.406 0.421 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588926629 1282731211 /nfs/dbraw/zinc/73/12/11/1282731211.db2.gz JOAGGXYYRGCAEM-VXGBXAGGSA-N 0 1 355.406 0.421 20 30 FCEDMN CC(C)(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccc(C#N)cc1 ZINC001589050178 1282785148 /nfs/dbraw/zinc/78/51/48/1282785148.db2.gz OCSZQFZACRWQDC-UHFFFAOYSA-N 0 1 351.374 0.424 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001589067719 1282791366 /nfs/dbraw/zinc/79/13/66/1282791366.db2.gz DRIFYHLUVGDSPO-GFCCVEGCSA-N 0 1 354.418 0.435 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589380165 1282857870 /nfs/dbraw/zinc/85/78/70/1282857870.db2.gz OCTUQTRFFHZEAI-OLZOCXBDSA-N 0 1 354.418 0.387 20 30 FCEDMN N#Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)cnc1C(F)(F)F ZINC001642263589 1282995825 /nfs/dbraw/zinc/99/58/25/1282995825.db2.gz IQWUUJMAGPTWHP-SECBINFHSA-N 0 1 353.264 0.699 20 30 FCEDMN C[C@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589813051 1283040880 /nfs/dbraw/zinc/04/08/80/1283040880.db2.gz DVQXMBCTRAJVFK-LLVKDONJSA-N 0 1 365.401 0.894 20 30 FCEDMN CC1(NC(=O)CSCC#N)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001590143150 1283240229 /nfs/dbraw/zinc/24/02/29/1283240229.db2.gz NTULOFUQZUFPKU-UHFFFAOYSA-N 0 1 372.458 0.994 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590169830 1283264482 /nfs/dbraw/zinc/26/44/82/1283264482.db2.gz DNQXVYRKKLGGGG-MNOVXSKESA-N 0 1 373.446 0.387 20 30 FCEDMN CC[C@H](CC#N)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590419120 1283531439 /nfs/dbraw/zinc/53/14/39/1283531439.db2.gz CXBUIYAHMRCNRX-MRVPVSSYSA-N 0 1 351.348 0.745 20 30 FCEDMN CCc1nc(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001590913472 1283963486 /nfs/dbraw/zinc/96/34/86/1283963486.db2.gz WZGMSHIPZNFNSE-GFCCVEGCSA-N 0 1 351.374 0.546 20 30 FCEDMN N#Cc1cccc(CN2CCC(NC(=O)NCCN3CCNC3=O)CC2)c1 ZINC001683702223 1284088156 /nfs/dbraw/zinc/08/81/56/1284088156.db2.gz AFHNISOMYAEJTR-UHFFFAOYSA-N 0 1 370.457 0.847 20 30 FCEDMN COC(=O)Cn1cc(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)nn1 ZINC001591270949 1284423826 /nfs/dbraw/zinc/42/38/26/1284423826.db2.gz SMPQINXXDAASBJ-UHFFFAOYSA-N 0 1 360.338 0.189 20 30 FCEDMN COC(=O)c1sccc1NC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N ZINC001591309670 1284460313 /nfs/dbraw/zinc/46/03/13/1284460313.db2.gz YAEWPHGEUSHOMC-UHFFFAOYSA-N 0 1 372.370 0.730 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001591363007 1284500224 /nfs/dbraw/zinc/50/02/24/1284500224.db2.gz YPTBLXJZKXPCRJ-OCCSQVGLSA-N 0 1 357.418 0.427 20 30 FCEDMN COc1ccc([C@@H](CO)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001591577973 1284747830 /nfs/dbraw/zinc/74/78/30/1284747830.db2.gz DUQQKRPRBMQUKS-LLVKDONJSA-N 0 1 352.358 0.725 20 30 FCEDMN C[NH+](C)CCc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001604690428 1287735563 /nfs/dbraw/zinc/73/55/63/1287735563.db2.gz WKRGSBLVQUWEQM-UHFFFAOYSA-N 0 1 351.374 0.818 20 30 FCEDMN COc1ccc(NC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c(OC)c1 ZINC001591609651 1284771817 /nfs/dbraw/zinc/77/18/17/1284771817.db2.gz TZFZLJFLIMHTIS-UHFFFAOYSA-N 0 1 369.345 0.173 20 30 FCEDMN COc1ccccc1CNC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N ZINC001591650451 1284780857 /nfs/dbraw/zinc/78/08/57/1284780857.db2.gz QNSMAXSZPXQPFW-UHFFFAOYSA-N 0 1 352.358 0.568 20 30 FCEDMN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001591734728 1284861999 /nfs/dbraw/zinc/86/19/99/1284861999.db2.gz BHJDURVBSZGSFH-CHWSQXEVSA-N 0 1 368.445 0.635 20 30 FCEDMN Cc1cc(N(C)C[C@@H](C)NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001591993827 1285047001 /nfs/dbraw/zinc/04/70/01/1285047001.db2.gz KEPNEZYJANQEDN-LLVKDONJSA-N 0 1 360.447 0.768 20 30 FCEDMN Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592035160 1285079358 /nfs/dbraw/zinc/07/93/58/1285079358.db2.gz YHBGXDKIRPFRFA-VXGBXAGGSA-N 0 1 374.474 0.944 20 30 FCEDMN Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036568 1285080575 /nfs/dbraw/zinc/08/05/75/1285080575.db2.gz ZTXWFLMWNDHMJP-GXTWGEPZSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC001592334674 1285245251 /nfs/dbraw/zinc/24/52/51/1285245251.db2.gz DHEMAPAVYAFVON-SMDDNHRTSA-N 0 1 372.433 0.955 20 30 FCEDMN Cn1cc([C@H]2CSCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 ZINC001592570448 1285485809 /nfs/dbraw/zinc/48/58/09/1285485809.db2.gz UMKXLADYGJRHCE-LLVKDONJSA-N 0 1 354.403 0.556 20 30 FCEDMN N#C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CCN1C1CC1 ZINC001592671306 1285567261 /nfs/dbraw/zinc/56/72/61/1285567261.db2.gz CNDBNHPCNPJBHQ-SNVBAGLBSA-N 0 1 365.444 0.289 20 30 FCEDMN N#CCN1CCC(NS(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1 ZINC001592677735 1285571950 /nfs/dbraw/zinc/57/19/50/1285571950.db2.gz IQNYLRSOZNQQON-UHFFFAOYSA-N 0 1 353.433 0.194 20 30 FCEDMN N#CCSCC(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001592679227 1285574004 /nfs/dbraw/zinc/57/40/04/1285574004.db2.gz JGKCWGXZHFGZKM-UHFFFAOYSA-N 0 1 372.458 0.639 20 30 FCEDMN N#CCSCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592679266 1285575956 /nfs/dbraw/zinc/57/59/56/1285575956.db2.gz KUKRAJUWLXDAGR-LLVKDONJSA-N 0 1 373.446 0.389 20 30 FCEDMN N#CCSCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592679267 1285576865 /nfs/dbraw/zinc/57/68/65/1285576865.db2.gz KUKRAJUWLXDAGR-NSHDSACASA-N 0 1 373.446 0.389 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001592679405 1285576893 /nfs/dbraw/zinc/57/68/93/1285576893.db2.gz POEIADPLHUNRNQ-GFCCVEGCSA-N 0 1 372.458 0.994 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCCc1c(F)cccc1F ZINC001592684300 1285583720 /nfs/dbraw/zinc/58/37/20/1285583720.db2.gz WTGHZAHPSRYVAO-UHFFFAOYSA-N 0 1 358.312 0.572 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1noc(-c2ccc(F)cc2F)n1 ZINC001592684130 1285583991 /nfs/dbraw/zinc/58/39/91/1285583991.db2.gz OWASSFLDUBYUNV-UHFFFAOYSA-N 0 1 370.283 0.894 20 30 FCEDMN N#Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1Br ZINC001592689174 1285585832 /nfs/dbraw/zinc/58/58/32/1285585832.db2.gz HPULLXMNKXICHI-UHFFFAOYSA-N 0 1 374.162 0.731 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@H](C(=O)NCC3CC3)C2)nc1-c1nn[nH]n1 ZINC001592708455 1285593267 /nfs/dbraw/zinc/59/32/67/1285593267.db2.gz RRNXONGZTSWCFZ-LLVKDONJSA-N 0 1 353.390 0.271 20 30 FCEDMN N#Cc1ncc(NCc2cnc(Br)cn2)nc1-c1nn[nH]n1 ZINC001592708902 1285594473 /nfs/dbraw/zinc/59/44/73/1285594473.db2.gz YZOVOFHBRZHQRW-UHFFFAOYSA-N 0 1 359.151 0.693 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592769325 1285694845 /nfs/dbraw/zinc/69/48/45/1285694845.db2.gz UFQXNURBPOIZDM-CHWSQXEVSA-N 0 1 352.402 0.331 20 30 FCEDMN N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001601077023 1286628046 /nfs/dbraw/zinc/62/80/46/1286628046.db2.gz HVECCEAFHUXXJH-CABCVRRESA-N 0 1 371.397 0.729 20 30 FCEDMN N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001601077025 1286628080 /nfs/dbraw/zinc/62/80/80/1286628080.db2.gz HVECCEAFHUXXJH-HUUCEWRRSA-N 0 1 371.397 0.729 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C(=O)[O-])c2cccc(O)c2)nc1 ZINC001601111381 1286636916 /nfs/dbraw/zinc/63/69/16/1286636916.db2.gz ZULOEBQUGLLFKG-HNNXBMFYSA-N 0 1 361.379 0.848 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C(=O)[O-])c1 ZINC001601112317 1286638433 /nfs/dbraw/zinc/63/84/33/1286638433.db2.gz YYIMKSOBBRACMD-QWHCGFSZSA-N 0 1 365.411 0.398 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703661 1287064643 /nfs/dbraw/zinc/06/46/43/1287064643.db2.gz XTJQCCBWMHQFFT-CHWSQXEVSA-N 0 1 354.418 0.531 20 30 FCEDMN C#CCCCC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602703513 1287067099 /nfs/dbraw/zinc/06/70/99/1287067099.db2.gz SVIZXGJVSHVFEW-UHFFFAOYSA-N 0 1 356.434 0.779 20 30 FCEDMN C#CCN1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001602721463 1287077491 /nfs/dbraw/zinc/07/74/91/1287077491.db2.gz KQUCZAZRVOMZSW-UHFFFAOYSA-N 0 1 357.393 0.903 20 30 FCEDMN C#CCN1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001602721495 1287079160 /nfs/dbraw/zinc/07/91/60/1287079160.db2.gz LRJNFTFAFPFAPH-UHFFFAOYSA-N 0 1 353.386 0.019 20 30 FCEDMN C#CCOCCC(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001602729441 1287097321 /nfs/dbraw/zinc/09/73/21/1287097321.db2.gz RWOQOHCRRJCABT-UHFFFAOYSA-N 0 1 369.429 0.634 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001602735885 1287098533 /nfs/dbraw/zinc/09/85/33/1287098533.db2.gz VDWLLTMPYYOBOH-AWEZNQCLSA-N 0 1 374.408 0.634 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](CC)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001602737691 1287100133 /nfs/dbraw/zinc/10/01/33/1287100133.db2.gz VXYFKKPZRMIJEN-AWEZNQCLSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CCCF ZINC001602764288 1287106859 /nfs/dbraw/zinc/10/68/59/1287106859.db2.gz SPGJCFNMHKEFKP-UHFFFAOYSA-N 0 1 361.389 0.470 20 30 FCEDMN C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CCC1CC1 ZINC001602764370 1287107604 /nfs/dbraw/zinc/10/76/04/1287107604.db2.gz VPNGEFCJTYTYRR-UHFFFAOYSA-N 0 1 369.437 0.910 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001602780276 1287112552 /nfs/dbraw/zinc/11/25/52/1287112552.db2.gz KNRGHSLTBPOALX-UHFFFAOYSA-N 0 1 360.422 0.178 20 30 FCEDMN C=CC(C)(C)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001602785109 1287114673 /nfs/dbraw/zinc/11/46/73/1287114673.db2.gz LXPFBUPJFBCDET-RYUDHWBXSA-N 0 1 372.433 0.315 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602792371 1287117438 /nfs/dbraw/zinc/11/74/38/1287117438.db2.gz FTIHFWDGSLIWIK-FHSNZYRGSA-N 0 1 371.445 0.626 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602841026 1287130830 /nfs/dbraw/zinc/13/08/30/1287130830.db2.gz KWUAFHYAMOFIMA-NEPJUHHUSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602844052 1287132540 /nfs/dbraw/zinc/13/25/40/1287132540.db2.gz HCFDXCTUWTYJKV-DOMZBBRYSA-N 0 1 357.418 0.535 20 30 FCEDMN Cc1n[nH]c(CCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)n1 ZINC001707769981 1287139617 /nfs/dbraw/zinc/13/96/17/1287139617.db2.gz HKKWYBJNAGMQTP-ZDUSSCGKSA-N 0 1 365.401 0.738 20 30 FCEDMN Cc1nnc(CCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)[nH]1 ZINC001707769981 1287139623 /nfs/dbraw/zinc/13/96/23/1287139623.db2.gz HKKWYBJNAGMQTP-ZDUSSCGKSA-N 0 1 365.401 0.738 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@H](C)[C@H]1CC 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C#CCCN1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084441 1219154120 /nfs/dbraw/zinc/15/41/20/1219154120.db2.gz CMVQORNPHXWNDC-JQHSSLGASA-N 0 1 350.426 0.453 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)[C@@H](n2ccnn2)C1 ZINC001070085566 1219155041 /nfs/dbraw/zinc/15/50/41/1219155041.db2.gz GOQFEGMSKQIJLH-MJGOQNOKSA-N 0 1 364.453 0.949 20 30 FCEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CN([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001070088778 1219159057 /nfs/dbraw/zinc/15/90/57/1219159057.db2.gz FEDAEQUOYAYVOT-LZQZEXGQSA-N 0 1 367.453 0.879 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070100087 1219172922 /nfs/dbraw/zinc/17/29/22/1219172922.db2.gz DMPITXBIIWFEBQ-XYPHTWIQSA-N 0 1 355.446 0.724 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109465 1219184346 /nfs/dbraw/zinc/18/43/46/1219184346.db2.gz YDTCNQYOMVDSEH-BBWFWOEESA-N 0 1 351.410 0.819 20 30 FCEDMN C=CCOCCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 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/nfs/dbraw/zinc/28/32/42/1219283242.db2.gz XFZNCKKXEVSTGP-KGLIPLIRSA-N 0 1 368.426 0.790 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2oc(CC3CC3)nc2C)C[C@@H]1n1ccnn1 ZINC001070193731 1219285542 /nfs/dbraw/zinc/28/55/42/1219285542.db2.gz NXRGGUQHTYILJR-CABCVRRESA-N 0 1 354.414 0.816 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H]1n1ccnn1 ZINC001070206385 1219293110 /nfs/dbraw/zinc/29/31/10/1219293110.db2.gz YEHQOGZQTJIAND-CABCVRRESA-N 0 1 361.352 0.610 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3ccc(OC)cc32)C[C@@H]1n1ccnn1 ZINC001070210478 1219295240 /nfs/dbraw/zinc/29/52/40/1219295240.db2.gz HRWUEWFYIREHNW-QRQLOZEOSA-N 0 1 365.437 0.991 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001070218319 1219300125 /nfs/dbraw/zinc/30/01/25/1219300125.db2.gz FJWWDTFFCYAHEB-OAGGEKHMSA-N 0 1 353.430 0.020 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@@H]1n1ccnn1 ZINC001070222556 1219304444 /nfs/dbraw/zinc/30/44/44/1219304444.db2.gz QIFOPHIWOFXPIB-CABCVRRESA-N 0 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20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC=CCO1 ZINC001574956052 1271685571 /nfs/dbraw/zinc/68/55/71/1271685571.db2.gz ZOACYRFGJGYZBG-GDBMZVCRSA-N 0 1 369.429 0.885 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC2CC2)n1C[C@H](COC)OC ZINC001574967219 1271686416 /nfs/dbraw/zinc/68/64/16/1271686416.db2.gz PUHLUECHPFWDMG-OAHLLOKOSA-N 0 1 359.434 0.650 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc([C@@H](C)CC)n1Cc1ncn(C)n1 ZINC001574955327 1271687472 /nfs/dbraw/zinc/68/74/72/1271687472.db2.gz SZEBGAYZPIDELC-LBPRGKRZSA-N 0 1 354.422 0.726 20 30 FCEDMN C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)CCCc1c[nH]nn1 ZINC001574986298 1271689181 /nfs/dbraw/zinc/68/91/81/1271689181.db2.gz YZYYDVOLFHWDNS-HOCLYGCPSA-N 0 1 360.462 0.188 20 30 FCEDMN C#CCNC(=O)CN1CCC[C@H](NC(=O)CCCCCc2cn[nH]n2)C1 ZINC001575005151 1271689806 /nfs/dbraw/zinc/68/98/06/1271689806.db2.gz WDFNESCKUJWEMJ-INIZCTEOSA-N 0 1 360.462 0.238 20 30 FCEDMN C#CCNCc1cn([C@@H]2CCCN(C(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001575004580 1271690710 /nfs/dbraw/zinc/69/07/10/1271690710.db2.gz GKCFPOJRTCZKHD-QGZVFWFLSA-N 0 1 370.461 0.696 20 30 FCEDMN C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575013121 1271694097 /nfs/dbraw/zinc/69/40/97/1271694097.db2.gz MABXFEJSXJIVGY-ZDUSSCGKSA-N 0 1 370.413 0.483 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575013523 1271694428 /nfs/dbraw/zinc/69/44/28/1271694428.db2.gz QUTCPHBEGUFIIT-OAHLLOKOSA-N 0 1 361.446 0.522 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575013523 1271694433 /nfs/dbraw/zinc/69/44/33/1271694433.db2.gz QUTCPHBEGUFIIT-OAHLLOKOSA-N 0 1 361.446 0.522 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(CCc2c[nH]nn2)CCO3)cn1 ZINC001575021497 1271695332 /nfs/dbraw/zinc/69/53/32/1271695332.db2.gz GRUJYHYIPDQEAH-LJQANCHMSA-N 0 1 366.425 0.341 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)OCc3c[nH]nn3)C2)cc1 ZINC001575021107 1271696234 /nfs/dbraw/zinc/69/62/34/1271696234.db2.gz BOFWHSNWZXDBTQ-CZUORRHYSA-N 0 1 367.409 0.722 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H]2CCC3(CN(CCc4c[nH]nn4)C3)O2)cn1 ZINC001575021300 1271696462 /nfs/dbraw/zinc/69/64/62/1271696462.db2.gz DICZWXNQGIYHRL-QGZVFWFLSA-N 0 1 366.425 0.387 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@H](NC(=O)CCCc3c[nH]nn3)C[C@H]2C)nc1 ZINC001575022081 1271696961 /nfs/dbraw/zinc/69/69/61/1271696961.db2.gz MCJQCAWDKGHUBE-CZUORRHYSA-N 0 1 366.425 0.923 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@H](NC(=O)CCCc3cnn[nH]3)C[C@H]2C)nc1 ZINC001575022081 1271696967 /nfs/dbraw/zinc/69/69/67/1271696967.db2.gz MCJQCAWDKGHUBE-CZUORRHYSA-N 0 1 366.425 0.923 20 30 FCEDMN C#Cc1ccc(C(=O)NCC=CCNC(=O)CCOCc2c[nH]nn2)nc1 ZINC001575023161 1271698290 /nfs/dbraw/zinc/69/82/90/1271698290.db2.gz XYNICHNOCLGMKM-ARJAWSKDSA-N 0 1 368.397 0.190 20 30 FCEDMN C=C(C)CN1CC2(C1)CN(C(=O)c1ccc(-c3cn[nH]n3)cn1)CCO2 ZINC001575047802 1271699369 /nfs/dbraw/zinc/69/93/69/1271699369.db2.gz CMVPQINCEHCCBQ-UHFFFAOYSA-N 0 1 354.414 0.970 20 30 FCEDMN C=C(C)CONC(=O)c1cccc(S(=O)(=O)NCc2c[nH]nn2)c1 ZINC001575053398 1271702454 /nfs/dbraw/zinc/70/24/54/1271702454.db2.gz GQBUGZFIFPUGGW-UHFFFAOYSA-N 0 1 351.388 0.521 20 30 FCEDMN C=C1CCC(C(=O)N2C[C@@H](NC(=O)CCCc3c[nH]nn3)[C@@H](O)C2)CC1 ZINC001575062742 1271705939 /nfs/dbraw/zinc/70/59/39/1271705939.db2.gz WKGUXQJZAQUYPK-CVEARBPZSA-N 0 1 361.446 0.562 20 30 FCEDMN C=C1CCC(C(=O)N2C[C@@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C2)CC1 ZINC001575062742 1271705942 /nfs/dbraw/zinc/70/59/42/1271705942.db2.gz WKGUXQJZAQUYPK-CVEARBPZSA-N 0 1 361.446 0.562 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575066203 1271706549 /nfs/dbraw/zinc/70/65/49/1271706549.db2.gz QUOKJCFTARGYCN-ZDUSSCGKSA-N 0 1 372.429 0.628 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1CCC[C@H](C(=O)NCCNCc2c[nH]nn2)C1 ZINC001575072507 1271708832 /nfs/dbraw/zinc/70/88/32/1271708832.db2.gz GGSFMDSVZTVWQC-CABCVRRESA-N 0 1 362.478 0.851 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2c[nH]nn2)CC2(CCOCC2)C1 ZINC001575074655 1271710394 /nfs/dbraw/zinc/71/03/94/1271710394.db2.gz XNSUCABPFWVFJB-WMLDXEAASA-N 0 1 363.462 0.619 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CC(=O)NCc1c[nH]nn1 ZINC001575079365 1271711986 /nfs/dbraw/zinc/71/19/86/1271711986.db2.gz XAMSOZNHBMMUNE-LBPRGKRZSA-N 0 1 364.450 0.376 20 30 FCEDMN C=CCCC(=O)NC1(CCO)CN(C(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575085789 1271713375 /nfs/dbraw/zinc/71/33/75/1271713375.db2.gz NLMUUCMGMMGGCG-UHFFFAOYSA-N 0 1 370.413 0.526 20 30 FCEDMN C=CCCC(=O)N1CC[C@@H](NC(=O)CC(=O)NCc2c[nH]nn2)C[C@@H]1C ZINC001575085087 1271714725 /nfs/dbraw/zinc/71/47/25/1271714725.db2.gz FAWRCSLSFHRRPD-QWHCGFSZSA-N 0 1 362.434 0.273 20 30 FCEDMN C=CCCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)[C@H]1C ZINC001575086595 1271714967 /nfs/dbraw/zinc/71/49/67/1271714967.db2.gz YGOBCEQZNUDQLH-KBMXLJTQSA-N 0 1 360.462 0.841 20 30 FCEDMN C=CCC1(C(=O)N2CC(NC(=O)CCCc3c[nH]nn3)C2)CCOCC1 ZINC001575085239 1271715132 /nfs/dbraw/zinc/71/51/32/1271715132.db2.gz JUEQQRSVNMJFOU-UHFFFAOYSA-N 0 1 361.446 0.827 20 30 FCEDMN C=CCC1(C(=O)N2CC(NC(=O)CCCc3cnn[nH]3)C2)CCOCC1 ZINC001575085239 1271715136 /nfs/dbraw/zinc/71/51/36/1271715136.db2.gz JUEQQRSVNMJFOU-UHFFFAOYSA-N 0 1 361.446 0.827 20 30 FCEDMN C=CCNC(=O)[C@@H](C)NC1(CNC(=O)c2cncc(-c3c[nH]nn3)c2)CC1 ZINC001575104582 1271722037 /nfs/dbraw/zinc/72/20/37/1271722037.db2.gz SNZJJWHOAODREJ-GFCCVEGCSA-N 0 1 369.429 0.409 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575110161 1271723410 /nfs/dbraw/zinc/72/34/10/1271723410.db2.gz KJDHZOOHRXLLIS-CYBMUJFWSA-N 0 1 351.407 0.021 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001575118583 1271730855 /nfs/dbraw/zinc/73/08/55/1271730855.db2.gz OYCMKMPQIUKLBA-SJORKVTESA-N 0 1 368.397 0.150 20 30 FCEDMN CC#CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(-c3cn[nH]n3)nc2)C1 ZINC001575119347 1271731395 /nfs/dbraw/zinc/73/13/95/1271731395.db2.gz YZYUEOPRKNNWLN-INIZCTEOSA-N 0 1 368.441 0.789 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(CC)n1CC(=O)NCC1CC1 ZINC001575122154 1271731600 /nfs/dbraw/zinc/73/16/00/1271731600.db2.gz SRGPMZFTVUNHNZ-UHFFFAOYSA-N 0 1 356.434 0.515 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(CC2CC2)n1CCCNC(C)=O ZINC001575121973 1271731718 /nfs/dbraw/zinc/73/17/18/1271731718.db2.gz RKUAYWBKIOMOCV-UHFFFAOYSA-N 0 1 370.461 0.905 20 30 FCEDMN CC#CCCCC(=O)N(CC)[C@H]1CCN([C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575118522 1271731826 /nfs/dbraw/zinc/73/18/26/1271731826.db2.gz ZQPUZXDENMISAB-RDJZCZTQSA-N 0 1 374.489 0.926 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCCc2c[nH]nn2)C1 ZINC001575176291 1271764582 /nfs/dbraw/zinc/76/45/82/1271764582.db2.gz FJXCOGMTSVXDOU-NEPJUHHUSA-N 0 1 368.388 0.887 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCCc2cnn[nH]2)C1 ZINC001575176291 1271764591 /nfs/dbraw/zinc/76/45/91/1271764591.db2.gz FJXCOGMTSVXDOU-NEPJUHHUSA-N 0 1 368.388 0.887 20 30 FCEDMN C[C@@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCOCc1c[nH]nn1 ZINC001575176379 1271764788 /nfs/dbraw/zinc/76/47/88/1271764788.db2.gz GFASFPMJEPELJM-WYQXTGKHSA-N 0 1 374.445 0.899 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001575176203 1271764930 /nfs/dbraw/zinc/76/49/30/1271764930.db2.gz FHAUFQNCOAGOFU-CHWSQXEVSA-N 0 1 373.461 0.139 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)c2ccn(C)n2)CC1 ZINC001575179983 1271769926 /nfs/dbraw/zinc/76/99/26/1271769926.db2.gz YDEWYCWFTOAGSP-LBPRGKRZSA-N 0 1 370.417 0.331 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N[C@H]2CNC[C@H]2C#N)C1 ZINC001575201763 1271781649 /nfs/dbraw/zinc/78/16/49/1271781649.db2.gz JXEGQSGDWAIKGR-KHSSZTOVSA-N 0 1 364.446 0.488 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N[C@H]2CNC[C@@H]2C#N)C1 ZINC001575201766 1271782562 /nfs/dbraw/zinc/78/25/62/1271782562.db2.gz JXEGQSGDWAIKGR-WZTLGTBRSA-N 0 1 364.446 0.488 20 30 FCEDMN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575313098 1271906562 /nfs/dbraw/zinc/90/65/62/1271906562.db2.gz DEPJSCVBXKDAGE-NXEZZACHSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575318464 1271918540 /nfs/dbraw/zinc/91/85/40/1271918540.db2.gz JYKOSBNEVXPTFA-ULQDDVLXSA-N 0 1 370.457 0.240 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H](NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)C(C)C ZINC001575318528 1271918956 /nfs/dbraw/zinc/91/89/56/1271918956.db2.gz KTYYYYVMGSKEKC-SJORKVTESA-N 0 1 374.489 0.686 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C[C@H]21 ZINC001575318126 1271919037 /nfs/dbraw/zinc/91/90/37/1271919037.db2.gz HHGKDXHJQPYGQI-QLPKVWCKSA-N 0 1 355.442 0.750 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C[C@H]21 ZINC001575318126 1271919058 /nfs/dbraw/zinc/91/90/58/1271919058.db2.gz HHGKDXHJQPYGQI-QLPKVWCKSA-N 0 1 355.442 0.750 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN([C@H](C)C(=O)NCc2c[nH]nn2)CC1(C)C ZINC001575318902 1271919520 /nfs/dbraw/zinc/91/95/20/1271919520.db2.gz SLTXULHLHZBDPG-GDBMZVCRSA-N 0 1 374.489 0.686 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575553824 1272192307 /nfs/dbraw/zinc/19/23/07/1272192307.db2.gz DIXJPARCWSILTL-WDEREUQCSA-N 0 1 359.390 0.186 20 30 FCEDMN C[C@@H](CNc1ccncc1C#N)N(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575620662 1272237176 /nfs/dbraw/zinc/23/71/76/1272237176.db2.gz SHHFPOJNTORKRZ-GUYCJALGSA-N 0 1 368.445 0.417 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC(CNC(=O)C#CC2CC2)CC1 ZINC001575741839 1272411853 /nfs/dbraw/zinc/41/18/53/1272411853.db2.gz LIXBGBASQBNNBP-CYBMUJFWSA-N 0 1 359.430 0.478 20 30 FCEDMN C[C@]1([C@H]2CCCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)COC(=O)N1 ZINC001575753246 1272416284 /nfs/dbraw/zinc/41/62/84/1272416284.db2.gz ZVGJSXXGNCARMG-BJOHPYRUSA-N 0 1 355.362 0.243 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001575824309 1272483831 /nfs/dbraw/zinc/48/38/31/1272483831.db2.gz ZSWZRMRTJSBLJI-KGLIPLIRSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H](CNC(=O)C#CC1CC1)C1CCCC1 ZINC001575837869 1272506788 /nfs/dbraw/zinc/50/67/88/1272506788.db2.gz CGBMQHKVLROCFE-CXAGYDPISA-N 0 1 373.457 0.914 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001575842306 1272513258 /nfs/dbraw/zinc/51/32/58/1272513258.db2.gz GQFRVQPWEJFGCF-ZBOXLXRLSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001575876981 1272541407 /nfs/dbraw/zinc/54/14/07/1272541407.db2.gz LJUAXWXKNIVOCO-CJNGLKHVSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nc2)C1 ZINC001575879085 1272543011 /nfs/dbraw/zinc/54/30/11/1272543011.db2.gz XHMLNAZEOFGATG-GXTWGEPZSA-N 0 1 355.402 0.762 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001575888752 1272548047 /nfs/dbraw/zinc/54/80/47/1272548047.db2.gz NAGHRKHQCPVGRR-YPMHNXCESA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@]1(CNC(=O)CCCc2c[nH]nn2)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575980093 1272640148 /nfs/dbraw/zinc/64/01/48/1272640148.db2.gz PTAGMAQXGNYCOW-SFHVURJKSA-N 0 1 369.429 0.996 20 30 FCEDMN C[C@@]1(CNC(=O)CCCc2cnn[nH]2)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575980093 1272640154 /nfs/dbraw/zinc/64/01/54/1272640154.db2.gz PTAGMAQXGNYCOW-SFHVURJKSA-N 0 1 369.429 0.996 20 30 FCEDMN CC1(NC(=O)CCCc2c[nH]nn2)CCN(c2cnc(C#N)cn2)CC1 ZINC001575998803 1272677204 /nfs/dbraw/zinc/67/72/04/1272677204.db2.gz KTMPQSFACRFNBM-UHFFFAOYSA-N 0 1 354.418 0.964 20 30 FCEDMN CC1(NC(=O)CCCc2cnn[nH]2)CCN(c2cnc(C#N)cn2)CC1 ZINC001575998803 1272677211 /nfs/dbraw/zinc/67/72/11/1272677211.db2.gz KTMPQSFACRFNBM-UHFFFAOYSA-N 0 1 354.418 0.964 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001576012597 1272714547 /nfs/dbraw/zinc/71/45/47/1272714547.db2.gz WCGNWBBOBDTQGZ-WBMJQRKESA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576026749 1272728830 /nfs/dbraw/zinc/72/88/30/1272728830.db2.gz MFTNJXFWYKHSLT-BXUZGUMPSA-N 0 1 371.401 0.331 20 30 FCEDMN CCCC[C@H](CNC(=O)C#CC1CC1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001576375910 1273201955 /nfs/dbraw/zinc/20/19/55/1273201955.db2.gz IRCAXBOPHLHRHQ-DZGCQCFKSA-N 0 1 361.446 0.914 20 30 FCEDMN CCCN(C(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@H]1CCN(CC#N)C1 ZINC001576476708 1273313427 /nfs/dbraw/zinc/31/34/27/1273313427.db2.gz WSKAVUDJESROAX-KRWDZBQOSA-N 0 1 359.478 0.853 20 30 FCEDMN CCCNC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)C#CC(C)C)CC1 ZINC001576486820 1273336377 /nfs/dbraw/zinc/33/63/77/1273336377.db2.gz WCIQVCQYWWVRIS-UHFFFAOYSA-N 0 1 374.489 0.783 20 30 FCEDMN CCN(C(=O)c1ccc(-c2c[nH]nn2)nc1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001576513652 1273395765 /nfs/dbraw/zinc/39/57/65/1273395765.db2.gz LLTPGBRAHKYSOO-VXGBXAGGSA-N 0 1 355.402 0.993 20 30 FCEDMN CN(CCCNC(=O)CCOCc1c[nH]nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001576804778 1273710907 /nfs/dbraw/zinc/71/09/07/1273710907.db2.gz VKECGSILTDCZOZ-UHFFFAOYSA-N 0 1 359.390 0.190 20 30 FCEDMN CO[C@H](C)CC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001576930576 1273953499 /nfs/dbraw/zinc/95/34/99/1273953499.db2.gz PBKPXDVVPLEPBY-QWHCGFSZSA-N 0 1 362.434 0.709 20 30 FCEDMN COCC#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)OCc1cn[nH]n1 ZINC001576953848 1273975508 /nfs/dbraw/zinc/97/55/08/1273975508.db2.gz RPZXLXFBHDQMFZ-DOTOQJQBSA-N 0 1 363.462 0.673 20 30 FCEDMN COc1cccnc1C(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1 ZINC001577091779 1274150326 /nfs/dbraw/zinc/15/03/26/1274150326.db2.gz XEPHEAGFDVRCPW-UHFFFAOYSA-N 0 1 355.402 0.839 20 30 FCEDMN N#CCNC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)C=C2CCC2)CC1 ZINC001577706799 1274766833 /nfs/dbraw/zinc/76/68/33/1274766833.db2.gz UOBNQRBGLIXSCD-UHFFFAOYSA-N 0 1 371.445 0.348 20 30 FCEDMN N#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001577706527 1274768354 /nfs/dbraw/zinc/76/83/54/1274768354.db2.gz JQYKWCNDXWKBBN-UHFFFAOYSA-N 0 1 373.442 0.595 20 30 FCEDMN N#CCSCC(=O)NCC1(NC(=O)c2cncc(-c3cn[nH]n3)c2)CC1 ZINC001577710178 1274771116 /nfs/dbraw/zinc/77/11/16/1274771116.db2.gz RLJIYYXZBWLUPS-UHFFFAOYSA-N 0 1 371.426 0.502 20 30 FCEDMN N#Cc1cccnc1NCC1CC(NC(=O)CCOCc2c[nH]nn2)C1 ZINC001577718197 1274779564 /nfs/dbraw/zinc/77/95/64/1274779564.db2.gz ZVTYYWRUDBRUIH-UHFFFAOYSA-N 0 1 355.402 0.985 20 30 FCEDMN N#Cc1cnc(N2CCC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)c(F)c1 ZINC001577719142 1274781738 /nfs/dbraw/zinc/78/17/38/1274781738.db2.gz KNINXHNRQZWIHP-CYBMUJFWSA-N 0 1 373.392 0.902 20 30 FCEDMN N#Cc1nccc(NC[C@H]2CCC[C@@H]2NC(=O)CCCCc2cn[nH]n2)n1 ZINC001577718986 1274783189 /nfs/dbraw/zinc/78/31/89/1274783189.db2.gz DGRYLSUIHGBBPH-HIFRSBDPSA-N 0 1 368.445 0.998 20 30 FCEDMN CC[NH+](CC)CCO[C@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001577902870 1275112070 /nfs/dbraw/zinc/11/20/70/1275112070.db2.gz IJPKLISGTGNKCX-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578921834 1276464780 /nfs/dbraw/zinc/46/47/80/1276464780.db2.gz YVOKQOVVQKYXDS-LLVKDONJSA-N 0 1 364.373 0.207 20 30 FCEDMN CN(C)c1n[nH]c(C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)n1 ZINC001579002144 1276571644 /nfs/dbraw/zinc/57/16/44/1276571644.db2.gz KYJJRFKKJHPDLX-UHFFFAOYSA-N 0 1 366.393 0.096 20 30 FCEDMN CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001579064276 1276674649 /nfs/dbraw/zinc/67/46/49/1276674649.db2.gz YOHFOBDZNHXVAQ-LBPRGKRZSA-N 0 1 374.382 0.685 20 30 FCEDMN COCc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H]1CNC[C@H]1C#N ZINC001579091533 1276728720 /nfs/dbraw/zinc/72/87/20/1276728720.db2.gz SZCFJSIECITLGT-CHWSQXEVSA-N 0 1 353.400 0.009 20 30 FCEDMN COC(=O)C1(c2ccc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)cc2)CC1 ZINC001579439343 1277316744 /nfs/dbraw/zinc/31/67/44/1277316744.db2.gz MISLWKZQWPOOCK-UHFFFAOYSA-N 0 1 364.369 0.770 20 30 FCEDMN Cc1ccc(CC(=O)N2CCN(C(=O)N[C@H]3CNC[C@@H]3C#N)CC2)cc1 ZINC001579678761 1277760201 /nfs/dbraw/zinc/76/02/01/1277760201.db2.gz IUEKUYJIKVQYFK-IRXDYDNUSA-N 0 1 355.442 0.503 20 30 FCEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001603098967 1287309407 /nfs/dbraw/zinc/30/94/07/1287309407.db2.gz OMUHUZISBNTYER-KYZUINATSA-N 0 1 357.378 0.996 20 30 FCEDMN COCCN(CCNC(=O)C#CC(C)(C)C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579792931 1277914501 /nfs/dbraw/zinc/91/45/01/1277914501.db2.gz ORCDXMCEEOZSFT-UHFFFAOYSA-N 0 1 372.433 0.275 20 30 FCEDMN COc1cc(OC)cc([C@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001579937314 1277971306 /nfs/dbraw/zinc/97/13/06/1277971306.db2.gz IMNKKXZVCABHDQ-CYBMUJFWSA-N 0 1 368.357 0.691 20 30 FCEDMN COc1ccc2c(c1)OCCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 ZINC001580050066 1277998381 /nfs/dbraw/zinc/99/83/81/1277998381.db2.gz FBMCWRFDINDVCA-UHFFFAOYSA-N 0 1 350.342 0.936 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603188666 1287325228 /nfs/dbraw/zinc/32/52/28/1287325228.db2.gz BFAXZGZHTBJAAD-CYBMUJFWSA-N 0 1 354.418 0.649 20 30 FCEDMN Cc1cc(CN2CCCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)no1 ZINC001580922837 1279131268 /nfs/dbraw/zinc/13/12/68/1279131268.db2.gz BLULZIOVMWCQTE-UHFFFAOYSA-N 0 1 366.389 0.537 20 30 FCEDMN Cc1cc(NC[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013772 1279240374 /nfs/dbraw/zinc/24/03/74/1279240374.db2.gz VZBMQBSYXHWXIO-JTQLQIEISA-N 0 1 365.401 0.670 20 30 FCEDMN Cc1ccnc(NC(=O)CN(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001581281503 1279579122 /nfs/dbraw/zinc/57/91/22/1279579122.db2.gz LDDIFMBTQJIFSM-UHFFFAOYSA-N 0 1 350.346 0.307 20 30 FCEDMN C[C@@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001603474043 1287383828 /nfs/dbraw/zinc/38/38/28/1287383828.db2.gz DOGGUDICCVYVGM-NSHDSACASA-N 0 1 365.401 0.894 20 30 FCEDMN N#CC[C@]1(O)CCN(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001581858146 1280608919 /nfs/dbraw/zinc/60/89/19/1280608919.db2.gz SGASIICWQNPUJE-NSHDSACASA-N 0 1 354.783 0.859 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c[nH]1 ZINC001581865226 1280619288 /nfs/dbraw/zinc/61/92/88/1280619288.db2.gz GFCFBYFIXLTUHC-HNNXBMFYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)[nH]1 ZINC001581868076 1280625701 /nfs/dbraw/zinc/62/57/01/1280625701.db2.gz HDBMCHHEJBWTKU-UHFFFAOYSA-N 0 1 363.385 0.860 20 30 FCEDMN N#Cc1ncc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)nc1-c1nn[nH]n1 ZINC001581881860 1280640390 /nfs/dbraw/zinc/64/03/90/1280640390.db2.gz CQYUUYARQXCPRF-SJCJKPOMSA-N 0 1 366.360 0.833 20 30 FCEDMN N#Cc1ncc(N2Cc3cccnc3N3CCC[C@H]3C2)nc1-c1nn[nH]n1 ZINC001581882899 1280643992 /nfs/dbraw/zinc/64/39/92/1280643992.db2.gz LBROOCGZOSSGKT-LBPRGKRZSA-N 0 1 360.385 0.912 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1nn[nH]n1 ZINC001581882707 1280645104 /nfs/dbraw/zinc/64/51/04/1280645104.db2.gz GAUCFEBNDDAWQA-SNVBAGLBSA-N 0 1 353.390 0.874 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(c3ccc(F)cc3)C2=O)nc1-c1nn[nH]n1 ZINC001581882545 1280645636 /nfs/dbraw/zinc/64/56/36/1280645636.db2.gz CICRIFHUDYSHBO-NSHDSACASA-N 0 1 365.332 0.885 20 30 FCEDMN C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC001585296196 1282220566 /nfs/dbraw/zinc/22/05/66/1282220566.db2.gz RAIRKUPFYFPCSJ-ZDUSSCGKSA-N 0 1 367.409 0.384 20 30 FCEDMN C[C@@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[N@H+]1CCc2ccccc2C1 ZINC001585296196 1282220573 /nfs/dbraw/zinc/22/05/73/1282220573.db2.gz RAIRKUPFYFPCSJ-ZDUSSCGKSA-N 0 1 367.409 0.384 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588336105 1282429661 /nfs/dbraw/zinc/42/96/61/1282429661.db2.gz HWBBVBRJXMKCKK-GFCCVEGCSA-N 0 1 362.459 0.641 20 30 FCEDMN C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588336105 1282429664 /nfs/dbraw/zinc/42/96/64/1282429664.db2.gz HWBBVBRJXMKCKK-GFCCVEGCSA-N 0 1 362.459 0.641 20 30 FCEDMN C#CCCCC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588339762 1282435026 /nfs/dbraw/zinc/43/50/26/1282435026.db2.gz VFXFBTXUAHGIGY-CQSZACIVSA-N 0 1 369.429 0.517 20 30 FCEDMN C#CCCCCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588342212 1282438028 /nfs/dbraw/zinc/43/80/28/1282438028.db2.gz VXRLRSAQTSKNPG-ZDUSSCGKSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001588342283 1282438952 /nfs/dbraw/zinc/43/89/52/1282438952.db2.gz XBPQUNQCWZWBAO-OLZOCXBDSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCN(C(=O)COC)C1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588347972 1282442232 /nfs/dbraw/zinc/44/22/32/1282442232.db2.gz DCABHDOYEWXYTL-UHFFFAOYSA-N 0 1 369.429 0.647 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588354900 1282451046 /nfs/dbraw/zinc/45/10/46/1282451046.db2.gz CEWZBXDJRILODC-GOEBONIOSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588354902 1282451951 /nfs/dbraw/zinc/45/19/51/1282451951.db2.gz CEWZBXDJRILODC-ZBFHGGJFSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001588356643 1282461497 /nfs/dbraw/zinc/46/14/97/1282461497.db2.gz YWBDBZRNSHRYTH-ZIAGYGMSSA-N 0 1 371.445 0.665 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C(F)(F)F ZINC001588356949 1282463525 /nfs/dbraw/zinc/46/35/25/1282463525.db2.gz HDTLVKJIWLGBJS-MWLCHTKSSA-N 0 1 353.308 0.421 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588359032 1282472340 /nfs/dbraw/zinc/47/23/40/1282472340.db2.gz XKOUZDQMUIZAJN-GFCCVEGCSA-N 0 1 355.402 0.125 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588360142 1282478310 /nfs/dbraw/zinc/47/83/10/1282478310.db2.gz JOJZEJKPQIFKCY-IJLUTSLNSA-N 0 1 360.443 0.703 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588360142 1282478316 /nfs/dbraw/zinc/47/83/16/1282478316.db2.gz JOJZEJKPQIFKCY-IJLUTSLNSA-N 0 1 360.443 0.703 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588360454 1282478401 /nfs/dbraw/zinc/47/84/01/1282478401.db2.gz QBKRDKGQZWPFII-AWEZNQCLSA-N 0 1 369.429 0.292 20 30 FCEDMN C#CCOCCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588360423 1282478798 /nfs/dbraw/zinc/47/87/98/1282478798.db2.gz PIZWDYIMAVNKEC-ZDUSSCGKSA-N 0 1 357.418 0.291 20 30 FCEDMN C#CCSCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588363116 1282490097 /nfs/dbraw/zinc/49/00/97/1282490097.db2.gz LHUUFTQDEFJGNS-UHFFFAOYSA-N 0 1 373.442 0.747 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364577 1282490598 /nfs/dbraw/zinc/49/05/98/1282490598.db2.gz HZTBMFRKRNNJLT-GFCCVEGCSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001588365212 1282491510 /nfs/dbraw/zinc/49/15/10/1282491510.db2.gz UYPOBCDRKLSAAE-KBPBESRZSA-N 0 1 373.380 0.136 20 30 FCEDMN C=C(C)C[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588406255 1282500383 /nfs/dbraw/zinc/50/03/83/1282500383.db2.gz SEXFRMMMKGPFQA-VIFPVBQESA-N 0 1 368.375 0.380 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588410123 1282503069 /nfs/dbraw/zinc/50/30/69/1282503069.db2.gz MEGDYJMBSRRBTC-STQMWFEESA-N 0 1 356.434 0.941 20 30 FCEDMN C=C(CC[NH+](C)C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588443920 1282507004 /nfs/dbraw/zinc/50/70/04/1282507004.db2.gz AFKNXQVTKKFKTA-CYBMUJFWSA-N 0 1 371.449 0.202 20 30 FCEDMN C=C(CC[NH+](C)C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588443920 1282507010 /nfs/dbraw/zinc/50/70/10/1282507010.db2.gz AFKNXQVTKKFKTA-CYBMUJFWSA-N 0 1 371.449 0.202 20 30 FCEDMN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CC1 ZINC001588462034 1282511683 /nfs/dbraw/zinc/51/16/83/1282511683.db2.gz ARGYNJGTJNFJNN-NHAGDIPZSA-N 0 1 366.429 0.954 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588476323 1282517964 /nfs/dbraw/zinc/51/79/64/1282517964.db2.gz VALWVKUQFIDZND-QGZVFWFLSA-N 0 1 372.433 0.056 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588483713 1282518644 /nfs/dbraw/zinc/51/86/44/1282518644.db2.gz PUXOIVSEFSBNNE-KRWDZBQOSA-N 0 1 372.433 0.316 20 30 FCEDMN C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588481737 1282519030 /nfs/dbraw/zinc/51/90/30/1282519030.db2.gz OBLCCQSNTJOAPZ-CYBMUJFWSA-N 0 1 373.461 0.826 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588495655 1282525627 /nfs/dbraw/zinc/52/56/27/1282525627.db2.gz HRCAQWJTFVMGHJ-SJCJKPOMSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588499134 1282528430 /nfs/dbraw/zinc/52/84/30/1282528430.db2.gz GGEPIXZBPLEDHU-KRWDZBQOSA-N 0 1 374.449 0.657 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588499135 1282528457 /nfs/dbraw/zinc/52/84/57/1282528457.db2.gz GGEPIXZBPLEDHU-QGZVFWFLSA-N 0 1 374.449 0.657 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588498895 1282529113 /nfs/dbraw/zinc/52/91/13/1282529113.db2.gz DURRJGYHVSERDG-QGZVFWFLSA-N 0 1 372.433 0.411 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588498894 1282529317 /nfs/dbraw/zinc/52/93/17/1282529317.db2.gz DURRJGYHVSERDG-KRWDZBQOSA-N 0 1 372.433 0.411 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588501998 1282538248 /nfs/dbraw/zinc/53/82/48/1282538248.db2.gz PURRAZRWVICTQR-SJCJKPOMSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588503429 1282539959 /nfs/dbraw/zinc/53/99/59/1282539959.db2.gz YIHDRJPRMPWHDK-ZWKOTPCHSA-N 0 1 371.445 0.708 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588503201 1282540717 /nfs/dbraw/zinc/54/07/17/1282540717.db2.gz XCVYRXPFJCVQFB-MSOLQXFVSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588505737 1282549238 /nfs/dbraw/zinc/54/92/38/1282549238.db2.gz WKTVVRGLQDSVHY-ACJLOTCBSA-N 0 1 371.445 0.982 20 30 FCEDMN C=CC[C@@H](CO)NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588546076 1282563113 /nfs/dbraw/zinc/56/31/13/1282563113.db2.gz WOHWHSLQTJHXIH-LBPRGKRZSA-N 0 1 361.406 0.433 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588608899 1282583720 /nfs/dbraw/zinc/58/37/20/1282583720.db2.gz RWULIRQEBFYFIX-NWDGAFQWSA-N 0 1 360.422 0.319 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609448 1282588404 /nfs/dbraw/zinc/58/84/04/1282588404.db2.gz XHHCJHPHUXPJSM-CHWSQXEVSA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001588611109 1282590459 /nfs/dbraw/zinc/59/04/59/1282590459.db2.gz QWPITPUJCPBRJI-HIFRSBDPSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001588615732 1282593306 /nfs/dbraw/zinc/59/33/06/1282593306.db2.gz FUJSMFMFYFWAQT-CVEARBPZSA-N 0 1 372.429 0.121 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588617074 1282598158 /nfs/dbraw/zinc/59/81/58/1282598158.db2.gz PKEPTCVWBBUCJW-CQSZACIVSA-N 0 1 371.445 0.988 20 30 FCEDMN C=CCCOCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588616843 1282598342 /nfs/dbraw/zinc/59/83/42/1282598342.db2.gz NNMURUUKHIOLOH-QWHCGFSZSA-N 0 1 359.434 0.890 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001588666147 1282620622 /nfs/dbraw/zinc/62/06/22/1282620622.db2.gz AZVVMUFUOMISBV-GXTWGEPZSA-N 0 1 357.418 0.535 20 30 FCEDMN C=CCOCC(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1 ZINC001588666963 1282624588 /nfs/dbraw/zinc/62/45/88/1282624588.db2.gz OSNPJFMWZIXETM-UHFFFAOYSA-N 0 1 357.418 0.892 20 30 FCEDMN C=CCOCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001588680779 1282638682 /nfs/dbraw/zinc/63/86/82/1282638682.db2.gz CWXUZEAFVYWAON-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588682730 1282646439 /nfs/dbraw/zinc/64/64/39/1282646439.db2.gz RICZJCSIGWJTCJ-HALDLXJZSA-N 0 1 369.429 0.795 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001588698771 1282653504 /nfs/dbraw/zinc/65/35/04/1282653504.db2.gz AWQUHADEPLZXTC-NSHDSACASA-N 0 1 370.421 0.897 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](CF)C1 ZINC001588709999 1282654983 /nfs/dbraw/zinc/65/49/83/1282654983.db2.gz ZUZSQLOTIBPVIE-JTQLQIEISA-N 0 1 359.373 0.080 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588718274 1282663801 /nfs/dbraw/zinc/66/38/01/1282663801.db2.gz FRLFBUFUSFKPHY-CJNGLKHVSA-N 0 1 371.445 0.844 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)CCOCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588926611 1282726725 /nfs/dbraw/zinc/72/67/25/1282726725.db2.gz IFBMDYDGQHWBRI-LBPRGKRZSA-N 0 1 358.406 0.333 20 30 FCEDMN C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)n1cnc(-c2nn[nH]n2)n1 ZINC001588936578 1282732907 /nfs/dbraw/zinc/73/29/07/1282732907.db2.gz KTADHMSNAFQTOM-NXEZZACHSA-N 0 1 362.357 0.782 20 30 FCEDMN C[C@@H](C(=O)OCC(=O)Cc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589026870 1282776185 /nfs/dbraw/zinc/77/61/85/1282776185.db2.gz LUJIUVDFWFYUOC-JTQLQIEISA-N 0 1 366.341 0.246 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001589379772 1282853365 /nfs/dbraw/zinc/85/33/65/1282853365.db2.gz AJEZGGYFAVKQGJ-CQSZACIVSA-N 0 1 353.430 0.994 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001589380065 1282856143 /nfs/dbraw/zinc/85/61/43/1282856143.db2.gz KZALZYLTSLLGGL-UONOGXRCSA-N 0 1 353.430 0.849 20 30 FCEDMN CCCN(CCNC(=O)CSCC#N)c1ccnc(-c2nn[nH]n2)n1 ZINC001590626947 1283666703 /nfs/dbraw/zinc/66/67/03/1283666703.db2.gz JQZRYFKRWHTTTA-UHFFFAOYSA-N 0 1 361.435 0.246 20 30 FCEDMN CN(C)S(=O)(=O)c1ccc(Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001591022237 1284079945 /nfs/dbraw/zinc/07/99/45/1284079945.db2.gz WWSAWHXPMYTCCO-UHFFFAOYSA-N 0 1 358.387 0.233 20 30 FCEDMN CN(CCC#N)C[C@H](O)Cn1cc(-c2nn[nH]n2)c2ccccc2c1=O ZINC001591061940 1284123199 /nfs/dbraw/zinc/12/31/99/1284123199.db2.gz KZFWZKQIWQUCDL-LBPRGKRZSA-N 0 1 353.386 0.388 20 30 FCEDMN CN(CCNC(=O)CC#Cc1ccccc1)c1ccnc(-c2nn[nH]n2)n1 ZINC001591097184 1284165393 /nfs/dbraw/zinc/16/53/93/1284165393.db2.gz SZHLIONXXNSNTO-UHFFFAOYSA-N 0 1 362.397 0.651 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001591157975 1284230199 /nfs/dbraw/zinc/23/01/99/1284230199.db2.gz IIKMWOUIOZMLBA-LLVKDONJSA-N 0 1 373.446 0.341 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1C#N ZINC001591217272 1284354006 /nfs/dbraw/zinc/35/40/06/1284354006.db2.gz KRWCJVIYJVOFPJ-UHFFFAOYSA-N 0 1 366.389 0.190 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1C#N ZINC001591217272 1284354014 /nfs/dbraw/zinc/35/40/14/1284354014.db2.gz KRWCJVIYJVOFPJ-UHFFFAOYSA-N 0 1 366.389 0.190 20 30 FCEDMN COCC#CCN(C)C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001591360237 1284496114 /nfs/dbraw/zinc/49/61/14/1284496114.db2.gz BATZVYFALKAVHR-OAHLLOKOSA-N 0 1 371.445 0.771 20 30 FCEDMN COCC#CCN1CC=C(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001591361146 1284496911 /nfs/dbraw/zinc/49/69/11/1284496911.db2.gz KAAQCAWAWWPCSO-UHFFFAOYSA-N 0 1 369.429 0.597 20 30 FCEDMN COc1ccc(CN(C)C(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)cc1 ZINC001591586020 1284751542 /nfs/dbraw/zinc/75/15/42/1284751542.db2.gz HWLNXYIABXGOED-UHFFFAOYSA-N 0 1 366.385 0.911 20 30 FCEDMN Cc1cc(N2CC=C(CNC(=O)[C@@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591999724 1285049555 /nfs/dbraw/zinc/04/95/55/1285049555.db2.gz ISNSGLIMEQYKQV-NSHDSACASA-N 0 1 352.402 0.983 20 30 FCEDMN Cc1cc(N[C@H](CNC(=O)CSCC#N)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592035660 1285080109 /nfs/dbraw/zinc/08/01/09/1285080109.db2.gz KOSUHKSKLLHFMJ-CQSZACIVSA-N 0 1 372.458 0.556 20 30 FCEDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001592069168 1285107026 /nfs/dbraw/zinc/10/70/26/1285107026.db2.gz ZTXCMVSBGMRWSU-UHFFFAOYSA-N 0 1 353.302 0.790 20 30 FCEDMN Cc1ccc(C(=O)NCCNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1F ZINC001592127463 1285157011 /nfs/dbraw/zinc/15/70/11/1285157011.db2.gz JIYJUSLQRCWZIH-UHFFFAOYSA-N 0 1 367.348 0.818 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC001592335660 1285244828 /nfs/dbraw/zinc/24/48/28/1285244828.db2.gz HEIVFEYUPKYAMF-UHFFFAOYSA-N 0 1 372.414 0.542 20 30 FCEDMN N#CCSCC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592680518 1285579258 /nfs/dbraw/zinc/57/92/58/1285579258.db2.gz RBDFHKUJSBYQIC-NSHDSACASA-N 0 1 358.431 0.201 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1Cc1nc2ncc(Br)cn2n1 ZINC001592684343 1285583280 /nfs/dbraw/zinc/58/32/80/1285583280.db2.gz METWGAFRXGUQFR-UHFFFAOYSA-N 0 1 372.150 0.183 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001592768114 1285692803 /nfs/dbraw/zinc/69/28/03/1285692803.db2.gz CVJVEWFQPYANDU-SJORKVTESA-N 0 1 366.425 0.332 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001592768303 1285692977 /nfs/dbraw/zinc/69/29/77/1285692977.db2.gz HGIGVVLGQFBHLM-HOTGVXAUSA-N 0 1 363.425 0.936 20 30 FCEDMN O=C(CC#Cc1ccccc1)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592803458 1285723246 /nfs/dbraw/zinc/72/32/46/1285723246.db2.gz WHWSSGXLJHJEHD-SNAWJCMRSA-N 0 1 374.408 0.605 20 30 FCEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001593681232 1286211339 /nfs/dbraw/zinc/21/13/39/1286211339.db2.gz DEZGTQOUFZSQNB-MLGOLLRUSA-N 0 1 362.455 0.435 20 30 FCEDMN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001600230236 1286455814 /nfs/dbraw/zinc/45/58/14/1286455814.db2.gz DJEGPFFLBMTAHC-LBPRGKRZSA-N 0 1 355.391 0.643 20 30 FCEDMN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001600230236 1286455818 /nfs/dbraw/zinc/45/58/18/1286455818.db2.gz DJEGPFFLBMTAHC-LBPRGKRZSA-N 0 1 355.391 0.643 20 30 FCEDMN Cc1nc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)ccc1C#N ZINC001600710723 1286530504 /nfs/dbraw/zinc/53/05/04/1286530504.db2.gz NPNLMVAQBDPQPW-NSHDSACASA-N 0 1 359.386 0.208 20 30 FCEDMN Cn1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1C(=O)[O-] ZINC001600945471 1286577233 /nfs/dbraw/zinc/57/72/33/1286577233.db2.gz YDBUWXHCAYSCQM-UHFFFAOYSA-N 0 1 353.448 0.244 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602703249 1287065150 /nfs/dbraw/zinc/06/51/50/1287065150.db2.gz MBEZGNLKBAMBQB-CHWSQXEVSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703664 1287065582 /nfs/dbraw/zinc/06/55/82/1287065582.db2.gz XTJQCCBWMHQFFT-STQMWFEESA-N 0 1 354.418 0.531 20 30 FCEDMN C#CCN(CC)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC(C)C ZINC001602717784 1287073301 /nfs/dbraw/zinc/07/33/01/1287073301.db2.gz BCEHIFZNKPSWJK-UHFFFAOYSA-N 0 1 355.410 0.214 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCN(c1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602724510 1287079556 /nfs/dbraw/zinc/07/95/56/1287079556.db2.gz GJTOLPLSBVKGCV-ZDUSSCGKSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001602724906 1287084460 /nfs/dbraw/zinc/08/44/60/1287084460.db2.gz HSOIZDWEIWJMCC-KGLIPLIRSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602727106 1287092190 /nfs/dbraw/zinc/09/21/90/1287092190.db2.gz UWQUOFZHVRSOSW-ZIAGYGMSSA-N 0 1 369.429 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001602737498 1287099206 /nfs/dbraw/zinc/09/92/06/1287099206.db2.gz SUFDAIUUMAHRMD-ZDUSSCGKSA-N 0 1 374.408 0.894 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001602735834 1287100130 /nfs/dbraw/zinc/10/01/30/1287100130.db2.gz UCMFKVSKBSLVPX-LBPRGKRZSA-N 0 1 362.397 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001602739264 1287100859 /nfs/dbraw/zinc/10/08/59/1287100859.db2.gz FWXPHHYIVCHYLU-CTYIDZIISA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1ccc(C(=O)NCCCN(C)c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001602739218 1287101335 /nfs/dbraw/zinc/10/13/35/1287101335.db2.gz CCVDPHDDMFLHGM-UHFFFAOYSA-N 0 1 362.397 0.894 20 30 FCEDMN C#Cc1cncc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001602743204 1287102618 /nfs/dbraw/zinc/10/26/18/1287102618.db2.gz SQDUEYLTFFQJFI-OAHLLOKOSA-N 0 1 374.408 0.777 20 30 FCEDMN C#Cc1cncc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)c1 ZINC001602745805 1287102964 /nfs/dbraw/zinc/10/29/64/1287102964.db2.gz UFPHWQXIJSBEGI-UHFFFAOYSA-N 0 1 374.408 0.825 20 30 FCEDMN C=C1CCC(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001602776085 1287111606 /nfs/dbraw/zinc/11/16/06/1287111606.db2.gz VYOKLFVNWFWHDA-CQSZACIVSA-N 0 1 371.445 0.627 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602793704 1287118567 /nfs/dbraw/zinc/11/85/67/1287118567.db2.gz NPKPJYCIUMNPMX-PSTGCABASA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602793963 1287119132 /nfs/dbraw/zinc/11/91/32/1287119132.db2.gz HGBVGZQHJJSHTN-SJCJKPOMSA-N 0 1 359.434 0.829 20 30 FCEDMN C=C[C@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001602804111 1287122148 /nfs/dbraw/zinc/12/21/48/1287122148.db2.gz RSHZKVGYPSQBJN-MRVPVSSYSA-N 0 1 354.348 0.254 20 30 FCEDMN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602823293 1287123799 /nfs/dbraw/zinc/12/37/99/1287123799.db2.gz ARMLIVQVUVJZRR-VXGBXAGGSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602841201 1287130574 /nfs/dbraw/zinc/13/05/74/1287130574.db2.gz QFGZKJQRJXLYNK-OLZOCXBDSA-N 0 1 359.434 0.924 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602841059 1287131503 /nfs/dbraw/zinc/13/15/03/1287131503.db2.gz LXNJVJZDRZZBRZ-KBPBESRZSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602843876 1287132722 /nfs/dbraw/zinc/13/27/22/1287132722.db2.gz BCSNRAQIFDKNRE-AWEZNQCLSA-N 0 1 371.445 0.988 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602845034 1287134865 /nfs/dbraw/zinc/13/48/65/1287134865.db2.gz VHEDJSQTTWNGDF-ZDUSSCGKSA-N 0 1 357.418 0.679 20 30 FCEDMN C=CCN(CCc1ccco1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001602852698 1287138655 /nfs/dbraw/zinc/13/86/55/1287138655.db2.gz ZSCJKINGMIVUJM-UHFFFAOYSA-N 0 1 357.378 0.492 20 30 FCEDMN C=CCN(CCN1C(=O)N[C@H](C)C1=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602852674 1287139246 /nfs/dbraw/zinc/13/92/46/1287139246.db2.gz YYCXLSBNPLEHCU-GFCCVEGCSA-N 0 1 355.402 0.795 20 30 FCEDMN C=CCOCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001602868000 1287142536 /nfs/dbraw/zinc/14/25/36/1287142536.db2.gz GTBHDWLBOXTASC-PXAZEXFGSA-N 0 1 370.417 0.144 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602871642 1287145771 /nfs/dbraw/zinc/14/57/71/1287145771.db2.gz SLXQZOVXMGVWES-AWEZNQCLSA-N 0 1 371.445 0.988 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602892568 1287149624 /nfs/dbraw/zinc/14/96/24/1287149624.db2.gz VTUBYGDUPXNUMC-OLZOCXBDSA-N 0 1 354.418 0.674 20 30 FCEDMN Cc1c(-c2cc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)on2)cnn1C ZINC001609378548 1289129964 /nfs/dbraw/zinc/12/99/64/1289129964.db2.gz OFBONHSXFUVGFJ-UHFFFAOYSA-N 0 1 351.334 0.262 20 30 FCEDMN CC(C)(C)C(=O)N1CCC(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)CC1 ZINC001603056633 1287200399 /nfs/dbraw/zinc/20/03/99/1287200399.db2.gz CYVRFPILXLWMRC-UHFFFAOYSA-N 0 1 357.422 0.802 20 30 FCEDMN COCCN1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001605104588 1287881552 /nfs/dbraw/zinc/88/15/52/1287881552.db2.gz HATXHUCKMGMCMC-CVEARBPZSA-N 0 1 369.429 0.386 20 30 FCEDMN Cc1cc(N2CC[C@H](N(C)C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605695367 1288053359 /nfs/dbraw/zinc/05/33/59/1288053359.db2.gz YSGRJMQLMDFGMN-LBPRGKRZSA-N 0 1 372.458 0.864 20 30 FCEDMN N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2CCC1CC2 ZINC001606337092 1288263259 /nfs/dbraw/zinc/26/32/59/1288263259.db2.gz QKKLXZMHTYUMDR-HNNXBMFYSA-N 0 1 351.414 0.856 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCCCOC1CCCCC1 ZINC001606356496 1288271694 /nfs/dbraw/zinc/27/16/94/1288271694.db2.gz UWTCJPVSLJQKQS-UHFFFAOYSA-N 0 1 358.406 0.790 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)c1ccc(N2CCOC2=O)cc1 ZINC001606356409 1288272177 /nfs/dbraw/zinc/27/21/77/1288272177.db2.gz SSDXPQPATLQNMR-UHFFFAOYSA-N 0 1 364.325 0.774 20 30 FCEDMN C#CCCOc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001609020420 1288881613 /nfs/dbraw/zinc/88/16/13/1288881613.db2.gz CVBRVHDILRLPNO-UHFFFAOYSA-N 0 1 352.358 0.290 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001609052253 1288889030 /nfs/dbraw/zinc/88/90/30/1288889030.db2.gz UNXIDVZXAVBRJQ-KRWDZBQOSA-N 0 1 373.417 0.708 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC001609497123 1289180689 /nfs/dbraw/zinc/18/06/89/1289180689.db2.gz URPWVCDLKXXJRL-MRVPVSSYSA-N 0 1 354.296 0.736 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1c1cnn(C)c1 ZINC001691967633 1289352599 /nfs/dbraw/zinc/35/25/99/1289352599.db2.gz LQZXEEJBWKDNJM-DLBZAZTESA-N 0 1 357.414 0.185 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnn4c3CCC4)C[C@@H]2C1 ZINC001692064241 1289383138 /nfs/dbraw/zinc/38/31/38/1289383138.db2.gz CNCCZOQEHIQZPS-XHSDSOJGSA-N 0 1 369.469 0.361 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)C[C@@H]2C1 ZINC001692083001 1289388176 /nfs/dbraw/zinc/38/81/76/1289388176.db2.gz LDQAIKJKUCHVRX-CVEARBPZSA-N 0 1 354.454 0.647 20 30 FCEDMN C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)C(C)(C)C)C[C@@H]2C1 ZINC001692083543 1289389590 /nfs/dbraw/zinc/38/95/90/1289389590.db2.gz XOTFRUFKWXKXOI-KGLIPLIRSA-N 0 1 350.463 0.825 20 30 FCEDMN C=CCN1CC[C@@H](N2CC[C@H](NC(=O)CCc3ncccn3)[C@H]2C)C1=O ZINC001692213853 1289427884 /nfs/dbraw/zinc/42/78/84/1289427884.db2.gz DQDCJSSTBZFNKG-OWCLPIDISA-N 0 1 357.458 0.775 20 30 FCEDMN C=CCN1CC[C@H](N2CC[C@H](NC(=O)CCc3ncccn3)[C@H]2C)C1=O ZINC001692213854 1289428129 /nfs/dbraw/zinc/42/81/29/1289428129.db2.gz DQDCJSSTBZFNKG-PMPSAXMXSA-N 0 1 357.458 0.775 20 30 FCEDMN CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001610238230 1289434185 /nfs/dbraw/zinc/43/41/85/1289434185.db2.gz UOVMSNQQSBOTBT-UKRRQHHQSA-N 0 1 352.412 0.896 20 30 FCEDMN CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001610238230 1289434189 /nfs/dbraw/zinc/43/41/89/1289434189.db2.gz 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UKAXKZUICNRRST-OCCSQVGLSA-N 0 1 362.434 0.051 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001575179619 1271770389 /nfs/dbraw/zinc/77/03/89/1271770389.db2.gz VVLJWWVFIINZFR-BBRMVZONSA-N 0 1 371.445 0.204 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575179434 1271770515 /nfs/dbraw/zinc/77/05/15/1271770515.db2.gz VEGNCTYYWWBSOX-MNOVXSKESA-N 0 1 353.386 0.603 20 30 FCEDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@H]3CNC[C@@H]3C#N)C[C@@H]2C1 ZINC001575199708 1271783009 /nfs/dbraw/zinc/78/30/09/1271783009.db2.gz ZFJXEFXLSDAOBX-QPSCCSFWSA-N 0 1 363.462 0.996 20 30 FCEDMN CC(C)(C)C#CC(=O)NCCN1CCN(C(=O)CCCc2c[nH]nn2)CC1 ZINC001575253659 1271854109 /nfs/dbraw/zinc/85/41/09/1271854109.db2.gz VCUZJFOPXBVLNF-UHFFFAOYSA-N 0 1 374.489 0.437 20 30 FCEDMN CC(C)(C)C#CC(=O)NCCN1CCN(C(=O)CCCc2cnn[nH]2)CC1 ZINC001575253659 1271854119 /nfs/dbraw/zinc/85/41/19/1271854119.db2.gz VCUZJFOPXBVLNF-UHFFFAOYSA-N 0 1 374.489 0.437 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)CCCCc1cn[nH]n1 ZINC001575317932 1271919281 /nfs/dbraw/zinc/91/92/81/1271919281.db2.gz DAWAXGSHWITQKV-MRXNPFEDSA-N 0 1 363.462 0.455 20 30 FCEDMN CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575318995 1271921106 /nfs/dbraw/zinc/92/11/06/1271921106.db2.gz VEBFINSLWRDCBJ-GDBMZVCRSA-N 0 1 361.446 0.819 20 30 FCEDMN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575320687 1271923646 /nfs/dbraw/zinc/92/36/46/1271923646.db2.gz VPFDFRQNLIZUIK-NXEZZACHSA-N 0 1 351.374 0.502 20 30 FCEDMN C[C@H](Oc1ccc(Oc2cnc(-c3nn[nH]n3)c(C#N)n2)cc1)C(N)=O ZINC001575494347 1272168210 /nfs/dbraw/zinc/16/82/10/1272168210.db2.gz QEWNHOCXGGJWRC-QMMMGPOBSA-N 0 1 352.314 0.573 20 30 FCEDMN C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001575529740 1272181426 /nfs/dbraw/zinc/18/14/26/1272181426.db2.gz MQHKVNLMGMQZLE-RYUDHWBXSA-N 0 1 358.406 0.768 20 30 FCEDMN C[C@H](CCNC(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)C#CC1CC1 ZINC001575540383 1272187137 /nfs/dbraw/zinc/18/71/37/1272187137.db2.gz SGWZNQAVYYZXAX-GFCCVEGCSA-N 0 1 352.398 0.905 20 30 FCEDMN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NC(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001575556784 1272195376 /nfs/dbraw/zinc/19/53/76/1272195376.db2.gz STMPRBVQFRQODT-GFCCVEGCSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001575556784 1272195381 /nfs/dbraw/zinc/19/53/81/1272195381.db2.gz STMPRBVQFRQODT-GFCCVEGCSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575604452 1272228513 /nfs/dbraw/zinc/22/85/13/1272228513.db2.gz UKCMWNPSQUYIRO-SNVBAGLBSA-N 0 1 364.369 0.615 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)[C@@H](CNC(=O)C#CC1CC1)C1CC1 ZINC001575717826 1272366855 /nfs/dbraw/zinc/36/68/55/1272366855.db2.gz GEAIZXXNFJGACK-LRDDRELGSA-N 0 1 359.430 0.476 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)CCCNC(=O)c1cc(C#N)c[nH]1 ZINC001575729036 1272395879 /nfs/dbraw/zinc/39/58/79/1272395879.db2.gz OENZIPXSRSDHND-NSHDSACASA-N 0 1 359.390 0.188 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccncc1C#N ZINC001575735015 1272402611 /nfs/dbraw/zinc/40/26/11/1272402611.db2.gz KPTNTOHTTVFRAJ-VBNZEHGJSA-N 0 1 367.413 0.856 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001575827743 1272493009 /nfs/dbraw/zinc/49/30/09/1272493009.db2.gz QYDRUHDEJJHNRI-CHWSQXEVSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001575846693 1272520885 /nfs/dbraw/zinc/52/08/85/1272520885.db2.gz LRIVLYWTGIVZMC-BXUZGUMPSA-N 0 1 370.417 0.403 20 30 FCEDMN C[C@@H](OCc1cn[nH]n1)C(=O)NCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001575869677 1272537953 /nfs/dbraw/zinc/53/79/53/1272537953.db2.gz WRHVZSLMGCRYSI-GFCCVEGCSA-N 0 1 360.393 0.969 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001575881039 1272545595 /nfs/dbraw/zinc/54/55/95/1272545595.db2.gz ZXDMWRRFSNZIJQ-DZGCQCFKSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C ZINC001575886342 1272547281 /nfs/dbraw/zinc/54/72/81/1272547281.db2.gz GHJYKUPAVCIBIF-UHIISALHSA-N 0 1 356.390 0.013 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576038088 1272753471 /nfs/dbraw/zinc/75/34/71/1272753471.db2.gz HODFUONEMHLPKW-DZGCQCFKSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)CCOCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576045699 1272769771 /nfs/dbraw/zinc/76/97/71/1272769771.db2.gz JTWIXSJYQVWDHZ-FZMZJTMJSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1CNc1cncc(C#N)n1 ZINC001576123858 1272917280 /nfs/dbraw/zinc/91/72/80/1272917280.db2.gz NBWTVDFILSXTMW-STQMWFEESA-N 0 1 370.417 0.580 20 30 FCEDMN CCCN(C(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@@H]1CCN(CC#N)C1 ZINC001576476709 1273313596 /nfs/dbraw/zinc/31/35/96/1273313596.db2.gz WSKAVUDJESROAX-QGZVFWFLSA-N 0 1 359.478 0.853 20 30 FCEDMN CCCN(CCNC(=O)c1ccc(C#N)[nH]1)[C@H](C)C(=O)NCc1cn[nH]n1 ZINC001576480282 1273318607 /nfs/dbraw/zinc/31/86/07/1273318607.db2.gz OJRAWXWIHGGUHE-GFCCVEGCSA-N 0 1 372.433 0.151 20 30 FCEDMN CN(C(=O)CCCCc1cn[nH]n1)[C@H](CNc1ccnc(C#N)n1)C1CC1 ZINC001576720627 1273590031 /nfs/dbraw/zinc/59/00/31/1273590031.db2.gz OWZJWPNFGSOHDD-OAHLLOKOSA-N 0 1 368.445 0.950 20 30 FCEDMN CN(C(=O)c1ccc(-c2c[nH]nn2)nc1)C1CN(C(=O)CSCC#N)C1 ZINC001576736917 1273607122 /nfs/dbraw/zinc/60/71/22/1273607122.db2.gz BMGQKWBZQSXXEW-UHFFFAOYSA-N 0 1 371.426 0.406 20 30 FCEDMN CN(CCNC(=O)CCOCc1c[nH]nn1)c1snc(Cl)c1C#N ZINC001576824159 1273747100 /nfs/dbraw/zinc/74/71/00/1273747100.db2.gz QLWKALBJPKXDHW-UHFFFAOYSA-N 0 1 369.838 0.946 20 30 FCEDMN COCC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)c2ccn(C)c2)CC1 ZINC001576953089 1273973639 /nfs/dbraw/zinc/97/36/39/1273973639.db2.gz MARUCOMHFPFKRT-UHFFFAOYSA-N 0 1 370.457 0.900 20 30 FCEDMN CSCC(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@H](C)C#N)CC1 ZINC001577119433 1274173793 /nfs/dbraw/zinc/17/37/93/1274173793.db2.gz UCQFTWUYXBYDIH-LLVKDONJSA-N 0 1 350.448 0.647 20 30 FCEDMN Cc1cc(C#N)nc(N[C@H](CNC(=O)[C@@H](C)OCc2c[nH]nn2)C2CC2)n1 ZINC001577256241 1274284271 /nfs/dbraw/zinc/28/42/71/1274284271.db2.gz KPBGTYUHPHUWQD-IAQYHMDHSA-N 0 1 370.417 0.687 20 30 FCEDMN Cc1cc(C#N)nc(NCCCN(C)C(=O)[C@H](C)OCc2c[nH]nn2)n1 ZINC001577256297 1274284350 /nfs/dbraw/zinc/28/43/50/1274284350.db2.gz LQYRGWUYEXDHKX-LBPRGKRZSA-N 0 1 358.406 0.641 20 30 FCEDMN Cc1cc(C#N)nc(N(CCNC(=O)[C@@H](C)OCc2c[nH]nn2)C2CC2)n1 ZINC001577256412 1274285072 /nfs/dbraw/zinc/28/50/72/1274285072.db2.gz PEFVRVIKGMYHRD-GFCCVEGCSA-N 0 1 370.417 0.465 20 30 FCEDMN Cc1cc(C(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)[C@@H](C)C#N)CC2)on1 ZINC001577263053 1274290138 /nfs/dbraw/zinc/29/01/38/1274290138.db2.gz PBGVDBHRSPJSSQ-NSHDSACASA-N 0 1 371.401 0.894 20 30 FCEDMN Cc1cc(NC/C=C\CNC(=O)CCOCc2c[nH]nn2)c(C#N)cn1 ZINC001577342611 1274352316 /nfs/dbraw/zinc/35/23/16/1274352316.db2.gz ALDNQDCATZDDFF-IHWYPQMZSA-N 0 1 355.402 0.493 20 30 FCEDMN CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577523020 1274469760 /nfs/dbraw/zinc/46/97/60/1274469760.db2.gz KLOYWZMNKBMUMT-RYUDHWBXSA-N 0 1 355.406 0.634 20 30 FCEDMN Cc1nnc(CN2CCC(N(Cc3c[nH]nn3)C(=O)[C@H](C)C#N)CC2)o1 ZINC001577602445 1274571980 /nfs/dbraw/zinc/57/19/80/1274571980.db2.gz LEZPTLLLKIHQOG-LLVKDONJSA-N 0 1 358.406 0.649 20 30 FCEDMN CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccnc(-c2nn[nH]n2)n1 ZINC001577628800 1274611895 /nfs/dbraw/zinc/61/18/95/1274611895.db2.gz AIJITEMXDYFIPF-UHFFFAOYSA-N 0 1 366.389 0.503 20 30 FCEDMN N#CCN1Cc2ccccc2C[C@H]1CNC(=O)CCOCc1c[nH]nn1 ZINC001577706786 1274766853 /nfs/dbraw/zinc/76/68/53/1274766853.db2.gz UCUOYAQNTMVEGP-KRWDZBQOSA-N 0 1 354.414 0.778 20 30 FCEDMN N#CCN1CCC(N(Cc2c[nH]nn2)C(=O)CCCn2cncn2)CC1 ZINC001577706386 1274768064 /nfs/dbraw/zinc/76/80/64/1274768064.db2.gz FOWXSNNOKYVUII-UHFFFAOYSA-N 0 1 357.422 0.193 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC(CNC(=O)CCCc3c[nH]nn3)CC2)c1 ZINC001577710015 1274770212 /nfs/dbraw/zinc/77/02/12/1274770212.db2.gz LYDLEGQNUIBLLW-UHFFFAOYSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c1 ZINC001577710015 1274770220 /nfs/dbraw/zinc/77/02/20/1274770220.db2.gz LYDLEGQNUIBLLW-UHFFFAOYSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)CCCc3c[nH]nn3)C2)c[nH]1 ZINC001577712229 1274772074 /nfs/dbraw/zinc/77/20/74/1274772074.db2.gz FQOPSNCODALSKP-AWEZNQCLSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)CCCc3cnn[nH]3)C2)c[nH]1 ZINC001577712229 1274772082 /nfs/dbraw/zinc/77/20/82/1274772082.db2.gz FQOPSNCODALSKP-AWEZNQCLSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1nccnc1N1CCO[C@@H](CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001577719318 1274782492 /nfs/dbraw/zinc/78/24/92/1274782492.db2.gz PRTLTWDHJJHUDG-AWEZNQCLSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1cnc(N2CCN(C(=O)CCOCc3c[nH]nn3)CC2)c(F)c1 ZINC001577719086 1274782511 /nfs/dbraw/zinc/78/25/11/1274782511.db2.gz IGYQLJVZWSSJDH-UHFFFAOYSA-N 0 1 359.365 0.466 20 30 FCEDMN N#Cc1cncc(N[C@H]2CC[C@H](NC(=O)CCOCc3c[nH]nn3)CC2)n1 ZINC001577719163 1274782716 /nfs/dbraw/zinc/78/27/16/1274782716.db2.gz LFRINOWFPQAMLM-JOCQHMNTSA-N 0 1 370.417 0.913 20 30 FCEDMN O=C(C#CC1CC1)NC1(CNC(=O)CCCCc2cn[nH]n2)CCOCC1 ZINC001577746270 1274821641 /nfs/dbraw/zinc/82/16/41/1274821641.db2.gz UIPUOSVEAPJIPB-UHFFFAOYSA-N 0 1 373.457 0.713 20 30 FCEDMN CN(CC(=O)NCc1cccs1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579009821 1276582076 /nfs/dbraw/zinc/58/20/76/1276582076.db2.gz RYIIWXPDHYENRD-UHFFFAOYSA-N 0 1 355.387 0.342 20 30 FCEDMN COC(=O)CN(CCc1ccccc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579449150 1277340423 /nfs/dbraw/zinc/34/04/23/1277340423.db2.gz LLUBVLXYUMOSMR-UHFFFAOYSA-N 0 1 364.369 0.750 20 30 FCEDMN COC(=O)N1CCC([C@H](C)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001579453298 1277344605 /nfs/dbraw/zinc/34/46/05/1277344605.db2.gz QYFPRQMDZPDHJP-VIFPVBQESA-N 0 1 357.378 0.807 20 30 FCEDMN COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579618145 1277663614 /nfs/dbraw/zinc/66/36/14/1277663614.db2.gz ISMHHMDOZNNBRE-GOSISDBHSA-N 0 1 371.445 0.677 20 30 FCEDMN COCC#CCN1CCC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579618145 1277663619 /nfs/dbraw/zinc/66/36/19/1277663619.db2.gz ISMHHMDOZNNBRE-GOSISDBHSA-N 0 1 371.445 0.677 20 30 FCEDMN CC(C)(C)OC(=O)N1CC(CCn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 ZINC001603087182 1287307919 /nfs/dbraw/zinc/30/79/19/1287307919.db2.gz MVYLMGFKFRWTSN-UHFFFAOYSA-N 0 1 359.394 0.774 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001603190083 1287326411 /nfs/dbraw/zinc/32/64/11/1287326411.db2.gz VNJCXJKBVAAKHW-KGLIPLIRSA-N 0 1 368.445 0.635 20 30 FCEDMN Cc1cc(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970823 1279172104 /nfs/dbraw/zinc/17/21/04/1279172104.db2.gz XPZDTGWNFAYAQH-UHFFFAOYSA-N 0 1 363.385 0.732 20 30 FCEDMN Cc1cc(N2CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970511 1279172244 /nfs/dbraw/zinc/17/22/44/1279172244.db2.gz DYFSHZNTVJDARI-APPDUMDISA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N[C@@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994796 1279204416 /nfs/dbraw/zinc/20/44/16/1279204416.db2.gz QFEAJXUQBMOBDC-NSHDSACASA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cc(NC[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013622 1279240408 /nfs/dbraw/zinc/24/04/08/1279240408.db2.gz UKORMVRBZWZAMS-SNVBAGLBSA-N 0 1 365.401 0.670 20 30 FCEDMN Cc1cnc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)s1 ZINC001581321010 1279685153 /nfs/dbraw/zinc/68/51/53/1279685153.db2.gz PEUHOWKGSGFBJK-UHFFFAOYSA-N 0 1 354.403 0.620 20 30 FCEDMN C[C@H](C[C@@H](C)Nc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001603457620 1287377117 /nfs/dbraw/zinc/37/71/17/1287377117.db2.gz JBTRSURAECCNQU-GHMZBOCLSA-N 0 1 365.401 0.892 20 30 FCEDMN Cn1nccc1[C@@H](O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001581837610 1280590481 /nfs/dbraw/zinc/59/04/81/1280590481.db2.gz RKOZIZFKKSBMPR-HNNXBMFYSA-N 0 1 366.389 0.212 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[nH]1 ZINC001581867637 1280622920 /nfs/dbraw/zinc/62/29/20/1280622920.db2.gz PQSKGOUYOGAWLR-JTQLQIEISA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[nH]1 ZINC001581867637 1280622922 /nfs/dbraw/zinc/62/29/22/1280622922.db2.gz PQSKGOUYOGAWLR-JTQLQIEISA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)[nH]1 ZINC001581867866 1280623774 /nfs/dbraw/zinc/62/37/74/1280623774.db2.gz ZMKSJWXFMLZXMR-UHFFFAOYSA-N 0 1 362.397 0.928 20 30 FCEDMN N#Cc1ccc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)s1 ZINC001581869539 1280624388 /nfs/dbraw/zinc/62/43/88/1280624388.db2.gz CYDQCFXFNFOKJH-SNVBAGLBSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(C2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)nc1 ZINC001581868969 1280624657 /nfs/dbraw/zinc/62/46/57/1280624657.db2.gz BTSOKAYNEMWKGW-UHFFFAOYSA-N 0 1 364.373 0.131 20 30 FCEDMN N#Cc1ccc(CNc2n[nH]c(N3CCOCC3)c2-c2nn[nH]n2)cc1 ZINC001581871928 1280626702 /nfs/dbraw/zinc/62/67/02/1280626702.db2.gz ANJFLGHTSIXTIJ-UHFFFAOYSA-N 0 1 351.374 0.910 20 30 FCEDMN N#Cc1ccc(O[C@H]2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)nc1 ZINC001581873558 1280628296 /nfs/dbraw/zinc/62/82/96/1280628296.db2.gz GPQWGBKHWYXBPF-NSHDSACASA-N 0 1 360.341 0.453 20 30 FCEDMN N#Cc1cccc2c1CN(S(=O)(=O)c1cccnc1-c1nn[nH]n1)C2 ZINC001581875798 1280632771 /nfs/dbraw/zinc/63/27/71/1280632771.db2.gz QHBQNTHZAWFOCN-UHFFFAOYSA-N 0 1 353.367 0.838 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879646 1280638424 /nfs/dbraw/zinc/63/84/24/1280638424.db2.gz SEQQTEHDAJVSLA-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001581879646 1280638436 /nfs/dbraw/zinc/63/84/36/1280638436.db2.gz SEQQTEHDAJVSLA-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879646 1280638440 /nfs/dbraw/zinc/63/84/40/1280638440.db2.gz SEQQTEHDAJVSLA-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001581879646 1280638443 /nfs/dbraw/zinc/63/84/43/1280638443.db2.gz SEQQTEHDAJVSLA-RISCZKNCSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc1-c1nnn[n-]1 ZINC001581882009 1280640162 /nfs/dbraw/zinc/64/01/62/1280640162.db2.gz HUVOYROXGFTWKW-LBPRGKRZSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001581882009 1280640199 /nfs/dbraw/zinc/64/01/99/1280640199.db2.gz HUVOYROXGFTWKW-LBPRGKRZSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001581882009 1280640207 /nfs/dbraw/zinc/64/02/07/1280640207.db2.gz HUVOYROXGFTWKW-LBPRGKRZSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CC[NH+](CC3CCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882120 1280641974 /nfs/dbraw/zinc/64/19/74/1280641974.db2.gz LUFOMMRFACPCFI-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN N#Cc1ncc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)nc1-c1nnn[n-]1 ZINC001581882737 1280642794 /nfs/dbraw/zinc/64/27/94/1280642794.db2.gz GLKHPFCUFFJMMG-KBPBESRZSA-N 0 1 359.397 0.991 20 30 FCEDMN N#Cc1ncc(NC[C@@H](N2CCOCC2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581882519 1280645066 /nfs/dbraw/zinc/64/50/66/1280645066.db2.gz BTRHBWGIKABTHW-SECBINFHSA-N 0 1 369.311 0.203 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCCN(C(=O)N3CCCC3)C2)nc1-c1nn[nH]n1 ZINC001581883351 1280646451 /nfs/dbraw/zinc/64/64/51/1280646451.db2.gz XBAJDXAKEGUTEM-NSHDSACASA-N 0 1 368.405 0.620 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(CC(F)(F)F)C2=O)nc1-c1nn[nH]n1 ZINC001581883199 1280647244 /nfs/dbraw/zinc/64/72/44/1280647244.db2.gz REKOZMDQWDCBGH-LURJTMIESA-N 0 1 353.268 0.103 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(Cc3ccccc3)C2=O)nc1-c1nn[nH]n1 ZINC001581883355 1280647868 /nfs/dbraw/zinc/64/78/68/1280647868.db2.gz XILIHFJOSDIHLN-LBPRGKRZSA-N 0 1 361.369 0.741 20 30 FCEDMN N#Cc1ncc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)nc1-c1nn[nH]n1 ZINC001581884151 1280649360 /nfs/dbraw/zinc/64/93/60/1280649360.db2.gz MXBRBVVBEVXTLC-QMTHXVAHSA-N 0 1 356.390 0.508 20 30 FCEDMN N#Cc1ncc(NCC[C@@]2(O)C(=O)Nc3ccccc32)nc1-c1nn[nH]n1 ZINC001581884062 1280650740 /nfs/dbraw/zinc/65/07/40/1280650740.db2.gz ITGYKJRNVWAOBT-INIZCTEOSA-N 0 1 363.341 0.170 20 30 FCEDMN N#Cc1ncc(NCCc2cccc3c2OCCO3)nc1-c1nn[nH]n1 ZINC001581884329 1280651007 /nfs/dbraw/zinc/65/10/07/1280651007.db2.gz VESSGXADHPZVDE-UHFFFAOYSA-N 0 1 350.342 0.954 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581912654 1280716474 /nfs/dbraw/zinc/71/64/74/1280716474.db2.gz SUTYMPPLSGEFCW-KBPBESRZSA-N 0 1 351.414 0.794 20 30 FCEDMN O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001581912723 1280716993 /nfs/dbraw/zinc/71/69/93/1280716993.db2.gz VZSSTHSCSFNYIG-UGSOOPFHSA-N 0 1 364.413 0.688 20 30 FCEDMN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603913978 1287530514 /nfs/dbraw/zinc/53/05/14/1287530514.db2.gz QWKKOTKBUBMQNS-SWLSCSKDSA-N 0 1 353.430 0.992 20 30 FCEDMN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603913979 1287530706 /nfs/dbraw/zinc/53/07/06/1287530706.db2.gz QWKKOTKBUBMQNS-WFASDCNBSA-N 0 1 353.430 0.992 20 30 FCEDMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1csc(C#N)c1 ZINC001586088159 1282275842 /nfs/dbraw/zinc/27/58/42/1282275842.db2.gz WJHVTNQXLTUAKY-UHFFFAOYSA-N 0 1 350.444 0.482 20 30 FCEDMN N#Cc1c(NC(=O)Cc2n[nH]c3c2CCCC3)[nH]nc1N1CCOCC1 ZINC001587068394 1282329327 /nfs/dbraw/zinc/32/93/27/1282329327.db2.gz WREUJSHCEHHKQD-UHFFFAOYSA-N 0 1 355.402 0.901 20 30 FCEDMN C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC(=C)C ZINC001588326132 1282417662 /nfs/dbraw/zinc/41/76/62/1282417662.db2.gz FJDYMLBFKXRMIB-LLVKDONJSA-N 0 1 353.394 0.132 20 30 FCEDMN C#CCCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CCO1 ZINC001588340185 1282435041 /nfs/dbraw/zinc/43/50/41/1282435041.db2.gz IARUTPAYWOSWFX-CQSZACIVSA-N 0 1 369.429 0.695 20 30 FCEDMN C#CCCCCC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588343904 1282439874 /nfs/dbraw/zinc/43/98/74/1282439874.db2.gz WHJVVGHDWJSKLS-UHFFFAOYSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCCc2ccccc21 ZINC001588348494 1282442309 /nfs/dbraw/zinc/44/23/09/1282442309.db2.gz YQMFTOHMEJVLTR-HNNXBMFYSA-N 0 1 362.397 0.998 20 30 FCEDMN C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCOC1 ZINC001588351054 1282446082 /nfs/dbraw/zinc/44/60/82/1282446082.db2.gz ZHWBYWROXKBKSA-LLVKDONJSA-N 0 1 368.405 0.344 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588354835 1282448654 /nfs/dbraw/zinc/44/86/54/1282448654.db2.gz AXMHSDQOCZRYKO-CHWSQXEVSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588354876 1282451164 /nfs/dbraw/zinc/45/11/64/1282451164.db2.gz BTBOQLLTYPBDNC-XHDPSFHLSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356437 1282459744 /nfs/dbraw/zinc/45/97/44/1282459744.db2.gz BYSWIZZXDVPMFJ-CHWSQXEVSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356437 1282459749 /nfs/dbraw/zinc/45/97/49/1282459749.db2.gz BYSWIZZXDVPMFJ-CHWSQXEVSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356437 1282459753 /nfs/dbraw/zinc/45/97/53/1282459753.db2.gz BYSWIZZXDVPMFJ-CHWSQXEVSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356437 1282459756 /nfs/dbraw/zinc/45/97/56/1282459756.db2.gz BYSWIZZXDVPMFJ-CHWSQXEVSA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588356705 1282461039 /nfs/dbraw/zinc/46/10/39/1282461039.db2.gz FFUUKKLCMCHZOD-WMLDXEAASA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588357040 1282463301 /nfs/dbraw/zinc/46/33/01/1282463301.db2.gz IWINFXUAOCEKIO-LBPRGKRZSA-N 0 1 370.417 0.028 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588357314 1282464886 /nfs/dbraw/zinc/46/48/86/1282464886.db2.gz LCMQJOLOZLVWMM-QWHCGFSZSA-N 0 1 370.417 0.028 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588357229 1282465278 /nfs/dbraw/zinc/46/52/78/1282465278.db2.gz JKGAOHXMWCZVEC-KBPBESRZSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001588360608 1282478048 /nfs/dbraw/zinc/47/80/48/1282478048.db2.gz RZEQRALIPOHTRZ-YYWXWVFPSA-N 0 1 367.413 0.159 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001588360464 1282479205 /nfs/dbraw/zinc/47/92/05/1282479205.db2.gz QJILOJURGRQORV-ZIAGYGMSSA-N 0 1 369.429 0.433 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588361842 1282484028 /nfs/dbraw/zinc/48/40/28/1282484028.db2.gz UAOAMXFOKBYSGG-CHWSQXEVSA-N 0 1 370.417 0.170 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001588365201 1282491799 /nfs/dbraw/zinc/49/17/99/1282491799.db2.gz UQRKVCIIJNLFFS-OAHLLOKOSA-N 0 1 374.408 0.777 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001588364424 1282492392 /nfs/dbraw/zinc/49/23/92/1282492392.db2.gz FAOBYLMMEBAGPO-CQSZACIVSA-N 0 1 374.408 0.777 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)nc1 ZINC001588368142 1282493480 /nfs/dbraw/zinc/49/34/80/1282493480.db2.gz QTDDXJPGUSGORB-GFCCVEGCSA-N 0 1 362.397 0.893 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001588369948 1282494196 /nfs/dbraw/zinc/49/41/96/1282494196.db2.gz DDSMZUSPUIATKN-GASCZTMLSA-N 0 1 374.408 0.741 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001588402912 1282499802 /nfs/dbraw/zinc/49/98/02/1282499802.db2.gz PIMHXERPWRVKBR-CHWSQXEVSA-N 0 1 372.433 0.723 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402997 1282500065 /nfs/dbraw/zinc/50/00/65/1282500065.db2.gz RSZHMMQNMIZBBJ-CHWSQXEVSA-N 0 1 374.449 0.709 20 30 FCEDMN CCOc1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1 ZINC001609246094 1289016615 /nfs/dbraw/zinc/01/66/15/1289016615.db2.gz CUCLCPSGIBATGW-UHFFFAOYSA-N 0 1 352.358 0.650 20 30 FCEDMN C=CC(C)(C)C(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588468520 1282513490 /nfs/dbraw/zinc/51/34/90/1282513490.db2.gz LQSYXVMPTVIODV-UHFFFAOYSA-N 0 1 359.434 0.437 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588483299 1282520775 /nfs/dbraw/zinc/52/07/75/1282520775.db2.gz FLOOIRIRLPILLZ-LBPRGKRZSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588498953 1282529664 /nfs/dbraw/zinc/52/96/64/1282529664.db2.gz FOSFPOKPIPFYPN-FZKQIMNGSA-N 0 1 371.445 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588501667 1282538834 /nfs/dbraw/zinc/53/88/34/1282538834.db2.gz NQYRLPVYTXFAAE-QGZVFWFLSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588503425 1282539205 /nfs/dbraw/zinc/53/92/05/1282539205.db2.gz YIHDRJPRMPWHDK-ROUUACIJSA-N 0 1 371.445 0.708 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588505574 1282545523 /nfs/dbraw/zinc/54/55/23/1282545523.db2.gz RPUNOSDYYZQHIM-QGZVFWFLSA-N 0 1 370.417 0.237 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001588505831 1282547975 /nfs/dbraw/zinc/54/79/75/1282547975.db2.gz YCZGDAKNVIJMDS-PBHICJAKSA-N 0 1 359.434 0.563 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588505931 1282548050 /nfs/dbraw/zinc/54/80/50/1282548050.db2.gz ZPTRSXGYTHJMBD-KRWDZBQOSA-N 0 1 359.434 0.840 20 30 FCEDMN C=CCC(C)(C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588532711 1282561138 /nfs/dbraw/zinc/56/11/38/1282561138.db2.gz CRPQQZJGTBBNAL-GFCCVEGCSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001588553243 1282566548 /nfs/dbraw/zinc/56/65/48/1282566548.db2.gz KKEZWYBWPMJMJZ-GFCCVEGCSA-N 0 1 357.418 0.319 20 30 FCEDMN C=CCCC(=O)NC1(CO)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588571643 1282568955 /nfs/dbraw/zinc/56/89/55/1282568955.db2.gz MUVRLAJAJTVZBW-UHFFFAOYSA-N 0 1 371.445 0.984 20 30 FCEDMN C=CCCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588571522 1282570774 /nfs/dbraw/zinc/57/07/74/1282570774.db2.gz XWEYVFUHYBAHSI-KRWDZBQOSA-N 0 1 357.418 0.594 20 30 FCEDMN C=CCC[C@@H](C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588577641 1282573200 /nfs/dbraw/zinc/57/32/00/1282573200.db2.gz KGHZFUSRTHFAIF-CHWSQXEVSA-N 0 1 359.434 0.980 20 30 FCEDMN C=CCCCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588586991 1282575164 /nfs/dbraw/zinc/57/51/64/1282575164.db2.gz QBXDDKQBGPFRJO-MRXNPFEDSA-N 0 1 358.406 0.070 20 30 FCEDMN C=CCCCN1CCO[C@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588600706 1282580973 /nfs/dbraw/zinc/58/09/73/1282580973.db2.gz MMBYBIHFYWVPBK-QGZVFWFLSA-N 0 1 359.434 0.982 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001588610333 1282586797 /nfs/dbraw/zinc/58/67/97/1282586797.db2.gz BJNXMYJJRATNBJ-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609438 1282587837 /nfs/dbraw/zinc/58/78/37/1282587837.db2.gz XETIXCGYSBXDGU-CHWSQXEVSA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCN1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@H](C)O2 ZINC001588657758 1282607426 /nfs/dbraw/zinc/60/74/26/1282607426.db2.gz WARSEJNAPMQOGE-SJCJKPOMSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001588659522 1282614082 /nfs/dbraw/zinc/61/40/82/1282614082.db2.gz NTUUNVLRJNVFAK-VXGBXAGGSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1 ZINC001588665730 1282619331 /nfs/dbraw/zinc/61/93/31/1282619331.db2.gz QPVUXIFPDFHBAC-UHFFFAOYSA-N 0 1 359.434 0.783 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001588666954 1282624497 /nfs/dbraw/zinc/62/44/97/1282624497.db2.gz OORZZDDSZKKJJZ-STQMWFEESA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001588671789 1282626213 /nfs/dbraw/zinc/62/62/13/1282626213.db2.gz NHGSSPACUSGEPA-AWEZNQCLSA-N 0 1 360.393 0.899 20 30 FCEDMN C=CCOCC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001588671924 1282626865 /nfs/dbraw/zinc/62/68/65/1282626865.db2.gz PTRBPZRSOFVPRV-CYBMUJFWSA-N 0 1 372.433 0.368 20 30 FCEDMN C=CCOCC(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001588674216 1282632915 /nfs/dbraw/zinc/63/29/15/1282632915.db2.gz LHZSGDIDZSOIGZ-UHFFFAOYSA-N 0 1 360.393 0.947 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001588676195 1282634199 /nfs/dbraw/zinc/63/41/99/1282634199.db2.gz QKXLQGYOTORWMJ-CQSZACIVSA-N 0 1 372.429 0.768 20 30 FCEDMN C=CCOCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588676376 1282635157 /nfs/dbraw/zinc/63/51/57/1282635157.db2.gz SEVHRMZXXMXBBJ-UONOGXRCSA-N 0 1 371.445 0.891 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588681399 1282640194 /nfs/dbraw/zinc/64/01/94/1282640194.db2.gz NCAJTXNEWVEJHA-AWEZNQCLSA-N 0 1 371.445 0.927 20 30 FCEDMN C=CCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588681956 1282641031 /nfs/dbraw/zinc/64/10/31/1282641031.db2.gz JHSABVXWFWCGAS-UHFFFAOYSA-N 0 1 368.375 0.646 20 30 FCEDMN C=CCOCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682738 1282646411 /nfs/dbraw/zinc/64/64/11/1282646411.db2.gz RQXVFCLTWCIOGP-LBPRGKRZSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001588699259 1282651758 /nfs/dbraw/zinc/65/17/58/1282651758.db2.gz GWVHTPDCZKOROV-MRXNPFEDSA-N 0 1 368.405 0.651 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCO[C@H](CC)C1 ZINC001588698823 1282652539 /nfs/dbraw/zinc/65/25/39/1282652539.db2.gz BHMKGTCRLLRXGM-SNVBAGLBSA-N 0 1 356.394 0.650 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC2CC1(C)C2 ZINC001588709847 1282658600 /nfs/dbraw/zinc/65/86/00/1282658600.db2.gz WPRMVLXILXFMKT-UHFFFAOYSA-N 0 1 353.394 0.273 20 30 FCEDMN CC#CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588743339 1282681852 /nfs/dbraw/zinc/68/18/52/1282681852.db2.gz AWQNNESWBLOKTP-BETUJISGSA-N 0 1 354.418 0.579 20 30 FCEDMN CC(=O)Nc1cccc(OCCNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001588883930 1282723276 /nfs/dbraw/zinc/72/32/76/1282723276.db2.gz MQSKVEVRJRXOLM-UHFFFAOYSA-N 0 1 365.357 0.978 20 30 FCEDMN CC(=O)Oc1ccc(CC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)cc1 ZINC001588888529 1282724994 /nfs/dbraw/zinc/72/49/94/1282724994.db2.gz XOHLFJZBEOAYCR-UHFFFAOYSA-N 0 1 365.353 0.980 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589157456 1282812116 /nfs/dbraw/zinc/81/21/16/1282812116.db2.gz BNYURLCPNYXQNY-NXEZZACHSA-N 0 1 357.378 0.250 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001589158314 1282812848 /nfs/dbraw/zinc/81/28/48/1282812848.db2.gz XAVOHAYCDNCFQW-NXEZZACHSA-N 0 1 357.378 0.828 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001589387167 1282863914 /nfs/dbraw/zinc/86/39/14/1282863914.db2.gz HGCCSZLVVXZCNO-ZDUSSCGKSA-N 0 1 354.418 0.791 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001589387580 1282864366 /nfs/dbraw/zinc/86/43/66/1282864366.db2.gz MSKNLZHBHNUQRJ-KRWDZBQOSA-N 0 1 374.470 0.641 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001589387580 1282864377 /nfs/dbraw/zinc/86/43/77/1282864377.db2.gz MSKNLZHBHNUQRJ-KRWDZBQOSA-N 0 1 374.470 0.641 20 30 FCEDMN CC(C)C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(=O)NCC[NH+](C)C ZINC001589659941 1282933387 /nfs/dbraw/zinc/93/33/87/1282933387.db2.gz KYMZYKPQEUVWCL-NSHDSACASA-N 0 1 372.437 0.033 20 30 FCEDMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985501 1283157261 /nfs/dbraw/zinc/15/72/61/1283157261.db2.gz KLMYWASNOASVLA-CHWSQXEVSA-N 0 1 368.445 0.777 20 30 FCEDMN CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001590102061 1283213760 /nfs/dbraw/zinc/21/37/60/1283213760.db2.gz LWEXKLCRRDXUMQ-ZDUSSCGKSA-N 0 1 372.458 0.589 20 30 FCEDMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001590209151 1283331304 /nfs/dbraw/zinc/33/13/04/1283331304.db2.gz JZCATUPYJAGGRS-PWSUYJOCSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@@H]1CN(C[C@H](O)COc2ccccc2-c2nn[nH]n2)C[C@@H](C)N1CC#N ZINC001590305944 1283450080 /nfs/dbraw/zinc/45/00/80/1283450080.db2.gz UUYVXIYJCJVURI-KFWWJZLASA-N 0 1 371.445 0.525 20 30 FCEDMN CCCCNC(=O)[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001590602967 1283632811 /nfs/dbraw/zinc/63/28/11/1283632811.db2.gz XTEIGOHFBSRWGJ-NSHDSACASA-N 0 1 355.406 0.661 20 30 FCEDMN COCC#CCN1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001591360704 1284496669 /nfs/dbraw/zinc/49/66/69/1284496669.db2.gz FRDCMNCDEXGSCQ-XJKSGUPXSA-N 0 1 369.429 0.381 20 30 FCEDMN C[NH+](C)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)c1ccccc1 ZINC001604671721 1287720795 /nfs/dbraw/zinc/72/07/95/1287720795.db2.gz MBHRQYKAEYHHOD-AWEZNQCLSA-N 0 1 365.401 0.354 20 30 FCEDMN C[NH+](C)CC#CCNC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001604677386 1287724485 /nfs/dbraw/zinc/72/44/85/1287724485.db2.gz MCJMVQWMSAKCEY-UHFFFAOYSA-N 0 1 374.474 0.325 20 30 FCEDMN CS(=O)(=O)c1cccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001591682010 1284823294 /nfs/dbraw/zinc/82/32/94/1284823294.db2.gz SDALMZTYZKKKLA-UHFFFAOYSA-N 0 1 356.371 0.544 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@](C)(C#N)C2)cc1-c1nn[nH]n1 ZINC001591702887 1284844239 /nfs/dbraw/zinc/84/42/39/1284844239.db2.gz CAXSMVOLGODWNI-AWEZNQCLSA-N 0 1 361.387 0.444 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)NC2CCN(CC#N)CC2)cc1-c1nn[nH]n1 ZINC001591703511 1284845078 /nfs/dbraw/zinc/84/50/78/1284845078.db2.gz HUGYMFPRZFJWEP-UHFFFAOYSA-N 0 1 374.430 0.407 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)NC2(C#N)CCOCC2)cc1-c1nn[nH]n1 ZINC001591703695 1284846744 /nfs/dbraw/zinc/84/67/44/1284846744.db2.gz LFZWNHYSMGKNBR-UHFFFAOYSA-N 0 1 361.387 0.492 20 30 FCEDMN Cc1cc(F)c(C#N)cc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591985919 1285043171 /nfs/dbraw/zinc/04/31/71/1285043171.db2.gz FSRXAWDFVFIRAN-UHFFFAOYSA-N 0 1 356.325 0.599 20 30 FCEDMN Cc1cc(N2CC=C(CNC(=O)[C@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591999719 1285050450 /nfs/dbraw/zinc/05/04/50/1285050450.db2.gz ISNSGLIMEQYKQV-LLVKDONJSA-N 0 1 352.402 0.983 20 30 FCEDMN Cc1cc(N2CC[C@@H](CNC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592001121 1285051416 /nfs/dbraw/zinc/05/14/16/1285051416.db2.gz OWPKDNVCTDIYLM-AWEZNQCLSA-N 0 1 351.414 0.926 20 30 FCEDMN Cc1cc(N2CCO[C@H](CNC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008902 1285057764 /nfs/dbraw/zinc/05/77/64/1285057764.db2.gz NAHHQMNDOWJMJP-CQSZACIVSA-N 0 1 367.413 0.305 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC001592334672 1285245902 /nfs/dbraw/zinc/24/59/02/1285245902.db2.gz DHEMAPAVYAFVON-FZMZJTMJSA-N 0 1 372.433 0.955 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001604831863 1287793053 /nfs/dbraw/zinc/79/30/53/1287793053.db2.gz RILQPELSGSGNGU-LBPRGKRZSA-N 0 1 354.418 0.743 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679526 1285577698 /nfs/dbraw/zinc/57/76/98/1285577698.db2.gz SUYZTFRWTZCULV-GHMZBOCLSA-N 0 1 373.446 0.032 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1Cc1ccc(OCC(F)(F)F)nn1 ZINC001592684564 1285582625 /nfs/dbraw/zinc/58/26/25/1285582625.db2.gz YPUMJNZSPKRFEC-UHFFFAOYSA-N 0 1 351.252 0.714 20 30 FCEDMN N#Cc1cccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)n1 ZINC001592700660 1285588264 /nfs/dbraw/zinc/58/82/64/1285588264.db2.gz OGZLYMMKQJVLQE-UHFFFAOYSA-N 0 1 358.325 0.966 20 30 FCEDMN N#Cc1cnc2c(F)ccc(F)c2c1NCCn1cnc(-c2nn[nH]n2)n1 ZINC001592704453 1285593966 /nfs/dbraw/zinc/59/39/66/1285593966.db2.gz MLQNPAMAALIVNW-UHFFFAOYSA-N 0 1 368.311 0.690 20 30 FCEDMN N#Cc1ncc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001592710148 1285595824 /nfs/dbraw/zinc/59/58/24/1285595824.db2.gz HMKAYXQCSIUNCG-GFCCVEGCSA-N 0 1 355.406 0.584 20 30 FCEDMN O=C(C#CC1CC1)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592766927 1285688494 /nfs/dbraw/zinc/68/84/94/1285688494.db2.gz WFODCLBZUROCKN-AWEZNQCLSA-N 0 1 351.414 0.748 20 30 FCEDMN O=C(C#CC1CC1)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592766140 1285688747 /nfs/dbraw/zinc/68/87/47/1285688747.db2.gz DOZFGJKQIQIICF-AWEZNQCLSA-N 0 1 367.413 0.126 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592769342 1285694560 /nfs/dbraw/zinc/69/45/60/1285694560.db2.gz UFQXNURBPOIZDM-QWHCGFSZSA-N 0 1 352.402 0.331 20 30 FCEDMN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CN2CCC1CC2 ZINC001593681669 1286211392 /nfs/dbraw/zinc/21/13/92/1286211392.db2.gz GVHMLKUUFZFBPN-LRDDRELGSA-N 0 1 362.455 0.435 20 30 FCEDMN COc1ccc(-c2nc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)no2)cc1 ZINC001609349581 1289112436 /nfs/dbraw/zinc/11/24/36/1289112436.db2.gz UVKAVFPRWHHQRV-UHFFFAOYSA-N 0 1 364.329 0.624 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602724197 1287080751 /nfs/dbraw/zinc/08/07/51/1287080751.db2.gz BWKYBFFVBPKACI-CHWSQXEVSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001602724083 1287081320 /nfs/dbraw/zinc/08/13/20/1287081320.db2.gz ANJGCQFZPBOTLZ-NSHDSACASA-N 0 1 371.401 0.419 20 30 FCEDMN C=C(C)CCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001602759561 1287107183 /nfs/dbraw/zinc/10/71/83/1287107183.db2.gz KNVISWHGPFINST-ZDUSSCGKSA-N 0 1 372.433 0.725 20 30 FCEDMN C=C(C)CCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001602759560 1287107253 /nfs/dbraw/zinc/10/72/53/1287107253.db2.gz KNVISWHGPFINST-CYBMUJFWSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602783366 1287113689 /nfs/dbraw/zinc/11/36/89/1287113689.db2.gz JGWPOHBQNAIWDC-QGZVFWFLSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602790960 1287116595 /nfs/dbraw/zinc/11/65/95/1287116595.db2.gz WKWXFBBKSKTOKX-YVEFUNNKSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602796151 1287120713 /nfs/dbraw/zinc/12/07/13/1287120713.db2.gz ZPRAWVVIDMXHOD-ACJLOTCBSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)OC ZINC001602834425 1287128092 /nfs/dbraw/zinc/12/80/92/1287128092.db2.gz SRJMJHFJZCUWDM-SECBINFHSA-N 0 1 355.376 0.636 20 30 FCEDMN C=CCCOCC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001602844384 1287134105 /nfs/dbraw/zinc/13/41/05/1287134105.db2.gz OWHUPLFQKAZFQA-UHFFFAOYSA-N 0 1 357.418 0.811 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001602866974 1287139886 /nfs/dbraw/zinc/13/98/86/1287139886.db2.gz QXGHSIYWEDKJSR-STQMWFEESA-N 0 1 357.418 0.596 20 30 FCEDMN C=CCOCC(=O)N(CCC)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602867081 1287140771 /nfs/dbraw/zinc/14/07/71/1287140771.db2.gz UYCYDKADYLDFQJ-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602870089 1287144068 /nfs/dbraw/zinc/14/40/68/1287144068.db2.gz IABQVEMNXKMETD-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@@H](COCC)C1 ZINC001602878839 1287146226 /nfs/dbraw/zinc/14/62/26/1287146226.db2.gz IXCKAKCBJFOSHD-LLVKDONJSA-N 0 1 370.421 0.897 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603051399 1287198576 /nfs/dbraw/zinc/19/85/76/1287198576.db2.gz JPXFRDWNOZEGDO-QWHCGFSZSA-N 0 1 368.445 0.825 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603051583 1287198820 /nfs/dbraw/zinc/19/88/20/1287198820.db2.gz PUKFGJYEMZLHQI-STQMWFEESA-N 0 1 368.445 0.967 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(C#N)CC3(CC3)C2)c1-c1nnn[n-]1 ZINC001604892746 1287809453 /nfs/dbraw/zinc/80/94/53/1287809453.db2.gz UIUJKTFVFNUDMC-UHFFFAOYSA-N 0 1 355.406 0.764 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(C#N)CC3(CC3)C2)c1-c1nn[n-]n1 ZINC001604892746 1287809456 /nfs/dbraw/zinc/80/94/56/1287809456.db2.gz UIUJKTFVFNUDMC-UHFFFAOYSA-N 0 1 355.406 0.764 20 30 FCEDMN CS(=O)(=O)c1ccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)s1 ZINC001605357111 1287935686 /nfs/dbraw/zinc/93/56/86/1287935686.db2.gz ASNCBLDEBSJXMT-UHFFFAOYSA-N 0 1 362.400 0.605 20 30 FCEDMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001605421642 1287953428 /nfs/dbraw/zinc/95/34/28/1287953428.db2.gz PSVLUGMTIRXCJW-TZMCWYRMSA-N 0 1 366.429 0.649 20 30 FCEDMN Cc1cc(N2CC[C@@H](N(C)C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605695366 1288053474 /nfs/dbraw/zinc/05/34/74/1288053474.db2.gz YSGRJMQLMDFGMN-GFCCVEGCSA-N 0 1 372.458 0.864 20 30 FCEDMN Cc1cc(NC2CCC(NC(=O)[C@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605722550 1288061963 /nfs/dbraw/zinc/06/19/63/1288061963.db2.gz DVKIEEXEBJFARN-QFWMXSHPSA-N 0 1 354.418 0.991 20 30 FCEDMN C[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CC(=O)[O-] ZINC001606133098 1288177032 /nfs/dbraw/zinc/17/70/32/1288177032.db2.gz OQOZYUZAEQUXSE-UHFFFAOYSA-N 0 1 365.333 0.872 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc1-c1nn[nH]n1 ZINC001606397550 1288285962 /nfs/dbraw/zinc/28/59/62/1288285962.db2.gz UIKLSLNNVHNJQH-SNVBAGLBSA-N 0 1 363.389 0.839 20 30 FCEDMN N#Cc1ncc(N2CCN(c3ccc(Cl)cn3)CC2)nc1-c1nn[nH]n1 ZINC001606397431 1288286601 /nfs/dbraw/zinc/28/66/01/1288286601.db2.gz PZGPEVJFNANRBG-UHFFFAOYSA-N 0 1 368.792 0.903 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001606456916 1288327707 /nfs/dbraw/zinc/32/77/07/1288327707.db2.gz AXIXISJEUNWQMT-MRVPVSSYSA-N 0 1 367.822 0.279 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001606456917 1288327749 /nfs/dbraw/zinc/32/77/49/1288327749.db2.gz AXIXISJEUNWQMT-QMMMGPOBSA-N 0 1 367.822 0.279 20 30 FCEDMN C=CCOc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001609058882 1288892775 /nfs/dbraw/zinc/89/27/75/1288892775.db2.gz AWNCHGQENFPRGP-LLVKDONJSA-N 0 1 354.374 0.900 20 30 FCEDMN CC#CC[C@H](CO)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609059621 1288892920 /nfs/dbraw/zinc/89/29/20/1288892920.db2.gz AWBHADIALRTUSX-SECBINFHSA-N 0 1 357.342 0.198 20 30 FCEDMN C#CCC[NH+]1CCN(C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)CC1 ZINC001609106650 1288922820 /nfs/dbraw/zinc/92/28/20/1288922820.db2.gz HWVMWFFEOOJXOQ-ZDUSSCGKSA-N 0 1 353.419 0.522 20 30 FCEDMN C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC001609158744 1288958246 /nfs/dbraw/zinc/95/82/46/1288958246.db2.gz GETWFWBWADTPQY-ZWKOTPCHSA-N 0 1 371.437 0.270 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1c1cnn(C)c1 ZINC001691978322 1289355269 /nfs/dbraw/zinc/35/52/69/1289355269.db2.gz BBYPQIXENQSFOC-JKSUJKDBSA-N 0 1 366.487 0.152 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(CCO)Cc2cnn(C)c2)C1 ZINC001692043643 1289375302 /nfs/dbraw/zinc/37/53/02/1289375302.db2.gz XFWVGOQVZPZREP-KSZLIROESA-N 0 1 362.474 0.797 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3scnc3CC)C[C@@H]2C1 ZINC001692064595 1289382279 /nfs/dbraw/zinc/38/22/79/1289382279.db2.gz QXURCTUWFOXNFI-KGLIPLIRSA-N 0 1 360.483 0.849 20 30 FCEDMN CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001610238223 1289434318 /nfs/dbraw/zinc/43/43/18/1289434318.db2.gz UOVMSNQQSBOTBT-DZGCQCFKSA-N 0 1 352.412 0.896 20 30 FCEDMN CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001610238223 1289434323 /nfs/dbraw/zinc/43/43/23/1289434323.db2.gz UOVMSNQQSBOTBT-DZGCQCFKSA-N 0 1 352.412 0.896 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCc3ccncn3)C[C@@H]2C1 ZINC001692265059 1289438980 /nfs/dbraw/zinc/43/89/80/1289438980.db2.gz QAJGCUBQQDDHKG-ZACQAIPSSA-N 0 1 369.469 0.327 20 30 FCEDMN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](OC)c3ccccc3)C[C@@H]2C1 ZINC001692289331 1289445399 /nfs/dbraw/zinc/44/53/99/1289445399.db2.gz OPMGUCKSBQPVMW-WSTZPKSXSA-N 0 1 369.465 0.904 20 30 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C=C[C@](C)(O)CC(=O)NCCN1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055567624 1219081740 /nfs/dbraw/zinc/08/17/40/1219081740.db2.gz JEIMOIGOSUSKHU-JVPBZIDWSA-N 0 1 365.474 0.047 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCN1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055577581 1219084992 /nfs/dbraw/zinc/08/49/92/1219084992.db2.gz OSJBLQHOTVLXNP-BFYDXBDKSA-N 0 1 365.474 0.289 20 30 FCEDMN C=CCCC(=O)NC1CCN(CCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001055583462 1219088696 /nfs/dbraw/zinc/08/86/96/1219088696.db2.gz OQSVXXLUPLMWMY-GDBMZVCRSA-N 0 1 364.490 0.564 20 30 FCEDMN C=CCOCC(=O)NC1CCN(CCNC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001055593951 1219093058 /nfs/dbraw/zinc/09/30/58/1219093058.db2.gz DBVLVKZRUPMNNJ-QAPCUYQASA-N 0 1 367.490 0.701 20 30 FCEDMN O=C(C#CC1CC1)NC1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001055605053 1219097091 /nfs/dbraw/zinc/09/70/91/1219097091.db2.gz CMYBMXWXQVRGCA-GJNTUIEKSA-N 0 1 371.481 0.520 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](n2ccnn2)C1 ZINC001070066198 1219129036 /nfs/dbraw/zinc/12/90/36/1219129036.db2.gz ZOFCXOLCUHBKNQ-WBVHZDCISA-N 0 1 370.461 0.901 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cn3nccc3nc2C)[C@@H](n2ccnn2)C1 ZINC001070067925 1219131923 /nfs/dbraw/zinc/13/19/23/1219131923.db2.gz WGZMHWDBFILROF-CVEARBPZSA-N 0 1 366.429 0.861 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070071909 1219137355 /nfs/dbraw/zinc/13/73/55/1219137355.db2.gz QJOCINIBCOXNNX-RYRKJORJSA-N 0 1 360.462 0.454 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070075312 1219143174 /nfs/dbraw/zinc/14/31/74/1219143174.db2.gz WTAIVDMNOQRQMD-XYPHTWIQSA-N 0 1 355.446 0.724 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070076517 1219143845 /nfs/dbraw/zinc/14/38/45/1219143845.db2.gz QSRZHQYGTZXXNB-KFWWJZLASA-N 0 1 361.450 0.129 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070077748 1219145464 /nfs/dbraw/zinc/14/54/64/1219145464.db2.gz MCQYQGCTCLLLFT-CVEARBPZSA-N 0 1 370.461 0.756 20 30 FCEDMN C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1n1ccnn1 ZINC001070078730 1219148642 /nfs/dbraw/zinc/14/86/42/1219148642.db2.gz NDNNNHXXEKLZSO-CVEARBPZSA-N 0 1 354.414 0.749 20 30 FCEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001070089018 1219159700 /nfs/dbraw/zinc/15/97/00/1219159700.db2.gz RUINRUHYVQCCMX-LZQZEXGQSA-N 0 1 367.453 0.879 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001070090087 1219160631 /nfs/dbraw/zinc/16/06/31/1219160631.db2.gz OVBZWVXNQDWBPA-CVEARBPZSA-N 0 1 367.413 0.447 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070100605 1219175059 /nfs/dbraw/zinc/17/50/59/1219175059.db2.gz YLUFXULUJWDHHH-CABCVRRESA-N 0 1 369.429 0.394 20 30 FCEDMN N#CCN1C[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070103905 1219179017 /nfs/dbraw/zinc/17/90/17/1219179017.db2.gz RQKPBIWCUVISKA-KGLIPLIRSA-N 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C#CCN[C@@H]1CN(C(=O)c2ccn(C3CCOCC3)n2)C[C@@H]1n1ccnn1 ZINC001070194908 1219287222 /nfs/dbraw/zinc/28/72/22/1219287222.db2.gz UDZQQVBNICUZNZ-SJORKVTESA-N 0 1 369.429 0.115 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001070197250 1219287806 /nfs/dbraw/zinc/28/78/06/1219287806.db2.gz WQHGRWUWSBDMRT-BMFZPTHFSA-N 0 1 357.389 0.859 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc(NC(=O)CC)c2)C[C@@H]1n1ccnn1 ZINC001070206223 1219292422 /nfs/dbraw/zinc/29/24/22/1219292422.db2.gz NWRYMCJEEPPXIN-SJORKVTESA-N 0 1 366.425 0.915 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@@H]1n1ccnn1 ZINC001070226129 1219305969 /nfs/dbraw/zinc/30/59/69/1219305969.db2.gz QESNWUBEIGRXDA-WBVHZDCISA-N 0 1 355.446 0.906 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@@H]1n1ccnn1 ZINC001070229443 1219308662 /nfs/dbraw/zinc/30/86/62/1219308662.db2.gz SHRUVNCWXCVGJH-ZACQAIPSSA-N 0 1 351.410 0.504 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnn3cccc(Cl)c23)C[C@@H]1n1ccnn1 ZINC001070229348 1219308687 /nfs/dbraw/zinc/30/86/87/1219308687.db2.gz NBFMURJPYKCKFK-CABCVRRESA-N 0 1 369.816 0.868 20 30 FCEDMN N#Cc1ccc(CN[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2n2ccnn2)cc1 ZINC001070246036 1219316172 /nfs/dbraw/zinc/31/61/72/1219316172.db2.gz AOZGCXVVICKHTE-CVEARBPZSA-N 0 1 363.381 0.993 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@@H]1n1ccnn1 ZINC001070249458 1219319352 /nfs/dbraw/zinc/31/93/52/1219319352.db2.gz WAECBWWOHNXZLA-SJORKVTESA-N 0 1 354.414 0.749 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@@H]1n1ccnn1 ZINC001070261485 1219331355 /nfs/dbraw/zinc/33/13/55/1219331355.db2.gz HKNPIGMCEGGXQA-CVEARBPZSA-N 0 1 363.381 0.617 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H]1n1ccnn1 ZINC001070270915 1219338976 /nfs/dbraw/zinc/33/89/76/1219338976.db2.gz QVAKPVLBTPYZFP-SJORKVTESA-N 0 1 362.397 0.147 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(F)c(COC)c2)C[C@@H]1n1ccnn1 ZINC001070271208 1219339621 /nfs/dbraw/zinc/33/96/21/1219339621.db2.gz 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1 353.386 0.747 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575179562 1271768870 /nfs/dbraw/zinc/76/88/70/1271768870.db2.gz VIZVMLCUNGNKSA-DGCLKSJQSA-N 0 1 353.386 0.747 20 30 FCEDMN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@@](C)(NC(=O)C#CC(C)(C)C)C1 ZINC001575222623 1271814974 /nfs/dbraw/zinc/81/49/74/1271814974.db2.gz YZGLEGZEJFVVFI-FZKQIMNGSA-N 0 1 360.462 0.440 20 30 FCEDMN C[C@H](C(=O)NCc1c[nH]nn1)N1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001575224641 1271822709 /nfs/dbraw/zinc/82/27/09/1271822709.db2.gz SULYFKSBFNBRDJ-ZIAGYGMSSA-N 0 1 360.462 0.440 20 30 FCEDMN CC(C)(C)C#CC(=O)N1C[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C[C@H]21 ZINC001575247726 1271850853 /nfs/dbraw/zinc/85/08/53/1271850853.db2.gz XYYMRETWJNYBJM-GDBMZVCRSA-N 0 1 373.457 0.820 20 30 FCEDMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001575313101 1271904986 /nfs/dbraw/zinc/90/49/86/1271904986.db2.gz DEPJSCVBXKDAGE-ZJUUUORDSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575318557 1271917657 /nfs/dbraw/zinc/91/76/57/1271917657.db2.gz LPSQAPGQRWNPEA-HOCLYGCPSA-N 0 1 358.446 0.003 20 30 FCEDMN C[C@@H](CN(C)C(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)C#CC1CC1 ZINC001575554471 1272193840 /nfs/dbraw/zinc/19/38/40/1272193840.db2.gz GIWUPWFMAVRURY-LBPRGKRZSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N(C)c1ccc(C#N)nc1 ZINC001575590843 1272221559 /nfs/dbraw/zinc/22/15/59/1272221559.db2.gz YSROORFSVPWHDG-DYVFJYSZSA-N 0 1 368.445 0.677 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)C[C@H]1CCN1C(=O)C#CC(C)(C)C ZINC001575718899 1272369490 /nfs/dbraw/zinc/36/94/90/1272369490.db2.gz LOEIJNOOMCYPDL-UKRRQHHQSA-N 0 1 361.446 0.819 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC(C)(Nc2cncc(C#N)n2)CC1 ZINC001575734074 1272401433 /nfs/dbraw/zinc/40/14/33/1272401433.db2.gz ALYXBYJEZABYSU-GFCCVEGCSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001575842303 1272513034 /nfs/dbraw/zinc/51/30/34/1272513034.db2.gz GQFRVQPWEJFGCF-XSRFYTQQSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC1(Nc2cnc(C#N)cn2)CCCC1 ZINC001575857536 1272531827 /nfs/dbraw/zinc/53/18/27/1272531827.db2.gz KWMZGKANXDIBMQ-LBPRGKRZSA-N 0 1 370.417 0.913 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001575885274 1272546806 /nfs/dbraw/zinc/54/68/06/1272546806.db2.gz GQFRVQPWEJFGCF-GMXVVIOVSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@@H](NC(=O)[C@H](C)OCc1c[nH]nn1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001575888142 1272547827 /nfs/dbraw/zinc/54/78/27/1272547827.db2.gz LDDCLGPROPDEPO-KGLIPLIRSA-N 0 1 373.457 0.867 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)CCOCc2c[nH]nn2)CCCN1C(=O)C#CC1CC1 ZINC001576018514 1272717049 /nfs/dbraw/zinc/71/70/49/1272717049.db2.gz BCYTYIYMHZFMLV-CJNGLKHVSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@H]1C[C@@H](NC(=O)CCOCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576045701 1272771069 /nfs/dbraw/zinc/77/10/69/1272771069.db2.gz JTWIXSJYQVWDHZ-SMDDNHRTSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001576126728 1272922948 /nfs/dbraw/zinc/92/29/48/1272922948.db2.gz WFXFRQOABPZUDK-BXUZGUMPSA-N 0 1 356.390 0.332 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127571 1272924163 /nfs/dbraw/zinc/92/41/63/1272924163.db2.gz XUNLNCBUTVGASA-WBMJQRKESA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127571 1272924169 /nfs/dbraw/zinc/92/41/69/1272924169.db2.gz XUNLNCBUTVGASA-WBMJQRKESA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@H]1CN=C(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)S1 ZINC001576364034 1273185395 /nfs/dbraw/zinc/18/53/95/1273185395.db2.gz JNOKMODFQRDHQZ-VIFPVBQESA-N 0 1 356.419 0.142 20 30 FCEDMN CCCC[C@@H](CNC(=O)C#CC1CC1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001576375913 1273200281 /nfs/dbraw/zinc/20/02/81/1273200281.db2.gz IRCAXBOPHLHRHQ-ZFWWWQNUSA-N 0 1 361.446 0.914 20 30 FCEDMN CCCC[C@H](CNC(=O)C#CC1CC1)NC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001576375912 1273201858 /nfs/dbraw/zinc/20/18/58/1273201858.db2.gz IRCAXBOPHLHRHQ-UKRRQHHQSA-N 0 1 361.446 0.914 20 30 FCEDMN CCN(CCNC(=O)C#CC1CC1)C(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001576528672 1273415048 /nfs/dbraw/zinc/41/50/48/1273415048.db2.gz HJMCLYAUPXQXRW-UHFFFAOYSA-N 0 1 373.457 0.522 20 30 FCEDMN CCN(CCNC(=O)C#CC1CC1)C(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001576528672 1273415055 /nfs/dbraw/zinc/41/50/55/1273415055.db2.gz HJMCLYAUPXQXRW-UHFFFAOYSA-N 0 1 373.457 0.522 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)CCN1C(=O)C#CC(C)C ZINC001576610345 1273479152 /nfs/dbraw/zinc/47/91/52/1273479152.db2.gz JSXSPKGRKQAKLH-VNQPRFMTSA-N 0 1 361.446 0.865 20 30 FCEDMN CCc1nc(C#N)cc(N[C@H](C)[C@@H](C)NC(=O)CCOCc2c[nH]nn2)n1 ZINC001576659393 1273522448 /nfs/dbraw/zinc/52/24/48/1273522448.db2.gz VSJJANNHXYKXID-VXGBXAGGSA-N 0 1 372.433 0.941 20 30 FCEDMN CCc1nc(C#N)cc(N[C@@H](C)[C@H](C)NC(=O)CCOCc2c[nH]nn2)n1 ZINC001576659392 1273522596 /nfs/dbraw/zinc/52/25/96/1273522596.db2.gz VSJJANNHXYKXID-RYUDHWBXSA-N 0 1 372.433 0.941 20 30 FCEDMN CN(C)C(=O)CCCC(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1 ZINC001576742406 1273610525 /nfs/dbraw/zinc/61/05/25/1273610525.db2.gz GFKWBGXLANDGCX-UHFFFAOYSA-N 0 1 361.450 0.380 20 30 FCEDMN CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001576869648 1273844687 /nfs/dbraw/zinc/84/46/87/1273844687.db2.gz DBUHXTMNYFRGFT-CQSZACIVSA-N 0 1 354.418 0.916 20 30 FCEDMN CC[C@H](Sc1nc(CC(=O)N[C@H]2CNC[C@H]2C#N)cs1)C(N)=O ZINC001577189288 1274237904 /nfs/dbraw/zinc/23/79/04/1274237904.db2.gz WJDVEONGLTZSCO-MIMYLULJSA-N 0 1 353.473 0.269 20 30 FCEDMN Cc1cc(N(C)C[C@@H](C)NC(=O)[C@H](C)OCc2c[nH]nn2)c(C#N)cn1 ZINC001577338577 1274348725 /nfs/dbraw/zinc/34/87/25/1274348725.db2.gz LLNFCQFFWBHOCX-OLZOCXBDSA-N 0 1 357.418 0.926 20 30 FCEDMN Cc1cc(N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)[C@H]2C)c(C#N)cn1 ZINC001577343951 1274354745 /nfs/dbraw/zinc/35/47/45/1274354745.db2.gz QAVXMZGXKCPMQR-BBRMVZONSA-N 0 1 369.429 0.810 20 30 FCEDMN N#CCN1CCCCC[C@H]1CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577706850 1274766742 /nfs/dbraw/zinc/76/67/42/1274766742.db2.gz WLZGPLILUWMOCH-KRWDZBQOSA-N 0 1 359.478 0.901 20 30 FCEDMN N#CCN1CCC2(CN(C(=O)CCOCc3c[nH]nn3)[C@@H]3COC[C@@H]32)CC1 ZINC001577706362 1274767930 /nfs/dbraw/zinc/76/79/30/1274767930.db2.gz FCHJNARYGZVYKX-JKSUJKDBSA-N 0 1 374.445 0.174 20 30 FCEDMN N#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2ccnc3ccnn32)CC1 ZINC001577706552 1274768039 /nfs/dbraw/zinc/76/80/39/1274768039.db2.gz KSGQUQYKMMZAJQ-UHFFFAOYSA-N 0 1 365.401 0.478 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CC2(CN(Cc3c[nH]nn3)C2)n2ccnc21 ZINC001577709987 1274769558 /nfs/dbraw/zinc/76/95/58/1274769558.db2.gz LAFPDPXMAXIHTP-GFCCVEGCSA-N 0 1 358.431 0.030 20 30 FCEDMN N#CCNCc1nc2c(s1)CCN(C(=O)CCOCc1c[nH]nn1)C2 ZINC001577709862 1274770627 /nfs/dbraw/zinc/77/06/27/1274770627.db2.gz GHDQNHALWNAKFK-UHFFFAOYSA-N 0 1 361.431 0.366 20 30 FCEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)CCOCc2cn[nH]n2)C1 ZINC001577717381 1274776774 /nfs/dbraw/zinc/77/67/74/1274776774.db2.gz CAQGXGKUOXGQBP-INIZCTEOSA-N 0 1 354.414 0.974 20 30 FCEDMN N#Cc1cccc(CN2CC[C@H](NC(=O)CCOCc3cn[nH]n3)C2)c1 ZINC001577717569 1274777651 /nfs/dbraw/zinc/77/76/51/1274777651.db2.gz IZESGRJJFRUXJN-INIZCTEOSA-N 0 1 354.414 0.974 20 30 FCEDMN N#Cc1cnc(N[C@@H](CNC(=O)CCOCc2c[nH]nn2)C2CC2)cn1 ZINC001577719090 1274781773 /nfs/dbraw/zinc/78/17/73/1274781773.db2.gz INPYSFWSKQDBIR-AWEZNQCLSA-N 0 1 356.390 0.380 20 30 FCEDMN N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CCCc3c[nH]nn3)C[C@@H]2C1 ZINC001577719303 1274781999 /nfs/dbraw/zinc/78/19/99/1274781999.db2.gz PLLLNLZGGUPAFW-KGLIPLIRSA-N 0 1 366.429 0.774 20 30 FCEDMN N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@@H]2C1 ZINC001577719303 1274782009 /nfs/dbraw/zinc/78/20/09/1274782009.db2.gz PLLLNLZGGUPAFW-KGLIPLIRSA-N 0 1 366.429 0.774 20 30 FCEDMN N#Cc1cncc(NC[C@H](NC(=O)CCOCc2c[nH]nn2)C2CC2)n1 ZINC001577719108 1274782323 /nfs/dbraw/zinc/78/23/23/1274782323.db2.gz JEJQGEXTSISYLU-AWEZNQCLSA-N 0 1 356.390 0.380 20 30 FCEDMN N#Cc1nccnc1N1C[C@@H]2CCCN(C(=O)CCCc3c[nH]nn3)[C@@H]2C1 ZINC001577719606 1274784948 /nfs/dbraw/zinc/78/49/48/1274784948.db2.gz WZCZQLLLXJBPMA-XJKSGUPXSA-N 0 1 366.429 0.916 20 30 FCEDMN N#Cc1nccnc1N1C[C@@H]2CCCN(C(=O)CCCc3cnn[nH]3)[C@@H]2C1 ZINC001577719606 1274784955 /nfs/dbraw/zinc/78/49/55/1274784955.db2.gz WZCZQLLLXJBPMA-XJKSGUPXSA-N 0 1 366.429 0.916 20 30 FCEDMN N#Cc1nccc(NC/C=C\CNC(=O)c2ccc(-c3cn[nH]n3)cc2)n1 ZINC001577719574 1274785829 /nfs/dbraw/zinc/78/58/29/1274785829.db2.gz WNIIYEKDMWRMDU-UPHRSURJSA-N 0 1 360.381 0.953 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOCc1c[nH]nn1)C2 ZINC001577745399 1274821622 /nfs/dbraw/zinc/82/16/22/1274821622.db2.gz FQBUTWOUJKQYCR-ZOBUZTSGSA-N 0 1 371.441 0.621 20 30 FCEDMN O=C(C#CC1CC1)NC1CC2(C1)CC(NC(=O)CCOCc1c[nH]nn1)C2 ZINC001577745249 1274821663 /nfs/dbraw/zinc/82/16/63/1274821663.db2.gz BTYAUOOWEDPZDB-UHFFFAOYSA-N 0 1 371.441 0.668 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577745783 1274822921 /nfs/dbraw/zinc/82/29/21/1274822921.db2.gz KVXZSRLZXDFCRL-ZOBUZTSGSA-N 0 1 370.457 0.194 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2C(=O)CCCc2c[nH]nn2)C1 ZINC001577746182 1274823162 /nfs/dbraw/zinc/82/31/62/1274823162.db2.gz RBJCFLFLLFSCSV-WBVHZDCISA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2C(=O)CCCc2cnn[nH]2)C1 ZINC001577746182 1274823174 /nfs/dbraw/zinc/82/31/74/1274823174.db2.gz RBJCFLFLLFSCSV-WBVHZDCISA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](NC(=O)CCCCCc2cn[nH]n2)[C@@H](O)C1 ZINC001577800519 1274902841 /nfs/dbraw/zinc/90/28/41/1274902841.db2.gz QBVVJXJVZSYPFQ-IRXDYDNUSA-N 0 1 373.457 0.399 20 30 FCEDMN CN(CCCN(C)c1ccncc1-c1nn[nH]n1)C(=O)CSCC#N ZINC001579115738 1276784008 /nfs/dbraw/zinc/78/40/08/1276784008.db2.gz KGSJUQJDOLHIAB-UHFFFAOYSA-N 0 1 360.447 0.803 20 30 FCEDMN CN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1ccc(C#N)cc1 ZINC001579190448 1276960657 /nfs/dbraw/zinc/96/06/57/1276960657.db2.gz HCYKJVKDLRBWOP-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN CN(Cc1cn(C)nc1C(F)(F)F)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579261231 1277057464 /nfs/dbraw/zinc/05/74/64/1277057464.db2.gz RJOQJXNIISAPQB-UHFFFAOYSA-N 0 1 364.295 0.917 20 30 FCEDMN CN(c1cnc(C#N)c(-c2nnn[n-]2)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001579350034 1277205583 /nfs/dbraw/zinc/20/55/83/1277205583.db2.gz WNNVYLOMRLPWMJ-ZDUSSCGKSA-N 0 1 368.449 0.133 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001579939265 1277970718 /nfs/dbraw/zinc/97/07/18/1277970718.db2.gz NVIXZQPZKGNSSY-NWDGAFQWSA-N 0 1 357.418 0.971 20 30 FCEDMN Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580987342 1279185837 /nfs/dbraw/zinc/18/58/37/1279185837.db2.gz BKTIAXVHGXXXOF-QWRGUYRKSA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(N[C@@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994296 1279201465 /nfs/dbraw/zinc/20/14/65/1279201465.db2.gz LXAMSCPPAWENIC-NSHDSACASA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cc(NCC2(NC(=O)[C@H](C)C#N)CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581019299 1279249394 /nfs/dbraw/zinc/24/93/94/1279249394.db2.gz UXMGWLBUFFMIMM-LLVKDONJSA-N 0 1 370.417 0.229 20 30 FCEDMN Cc1cc(NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030661 1279268662 /nfs/dbraw/zinc/26/86/62/1279268662.db2.gz GRRHSJGUGKGZAW-SNVBAGLBSA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581036382 1279273242 /nfs/dbraw/zinc/27/32/42/1279273242.db2.gz RERNZGDIZSSFQT-WCFLWFBJSA-N 0 1 354.418 0.849 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039231 1279276299 /nfs/dbraw/zinc/27/62/99/1279276299.db2.gz PLYJZVPTPSLORA-HAQNSBGRSA-N 0 1 363.385 0.565 20 30 FCEDMN C[C@H](C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)CSCC#N ZINC001603459261 1287378623 /nfs/dbraw/zinc/37/86/23/1287378623.db2.gz TVOLVHCIUXHRQF-NXEZZACHSA-N 0 1 361.435 0.031 20 30 FCEDMN C[C@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001603536747 1287414008 /nfs/dbraw/zinc/41/40/08/1287414008.db2.gz WYRUZDGZSBZSBX-SECBINFHSA-N 0 1 359.394 0.878 20 30 FCEDMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001603536748 1287414305 /nfs/dbraw/zinc/41/43/05/1287414305.db2.gz WYRUZDGZSBZSBX-VIFPVBQESA-N 0 1 359.394 0.878 20 30 FCEDMN Cn1nccc1[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 ZINC001581838664 1280592917 /nfs/dbraw/zinc/59/29/17/1280592917.db2.gz ZXVFIZGNOOTQLT-CABZTGNLSA-N 0 1 352.362 0.594 20 30 FCEDMN N#C[C@]12CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]1CS(=O)(=O)C2 ZINC001581860010 1280610728 /nfs/dbraw/zinc/61/07/28/1280610728.db2.gz GZZBQNDFKYXDFY-UPONEAKYSA-N 0 1 371.835 0.351 20 30 FCEDMN N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001581858542 1280611838 /nfs/dbraw/zinc/61/18/38/1280611838.db2.gz LCKQAUUNZWNKPB-SNVBAGLBSA-N 0 1 363.472 0.875 20 30 FCEDMN N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001581858542 1280611848 /nfs/dbraw/zinc/61/18/48/1280611848.db2.gz LCKQAUUNZWNKPB-SNVBAGLBSA-N 0 1 363.472 0.875 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001581860500 1280612222 /nfs/dbraw/zinc/61/22/22/1280612222.db2.gz CXPJNFRANUWHEO-UHFFFAOYSA-N 0 1 361.728 0.948 20 30 FCEDMN N#Cc1cc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c[nH]1 ZINC001581865375 1280619158 /nfs/dbraw/zinc/61/91/58/1280619158.db2.gz IWDRPCCGPALXFG-UHFFFAOYSA-N 0 1 362.397 0.928 20 30 FCEDMN N#Cc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001581875203 1280629603 /nfs/dbraw/zinc/62/96/03/1280629603.db2.gz ZKYUWSAVHVTRKO-QLPKVWCKSA-N 0 1 374.408 0.927 20 30 FCEDMN N#Cc1ncc(N2CCC(OC[C@H]3CCOC3)CC2)nc1-c1nn[nH]n1 ZINC001581881901 1280641447 /nfs/dbraw/zinc/64/14/47/1280641447.db2.gz DQDXTLXTSHNLHB-NSHDSACASA-N 0 1 356.390 0.550 20 30 FCEDMN N#Cc1ncc(N2CCC[C@](C#N)(c3ccccn3)C2)nc1-c1nn[nH]n1 ZINC001581881856 1280641940 /nfs/dbraw/zinc/64/19/40/1280641940.db2.gz CLXXACSHOVJMTO-QGZVFWFLSA-N 0 1 358.369 0.985 20 30 FCEDMN N#Cc1ncc(N[C@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1nn[nH]n1 ZINC001581882705 1280644267 /nfs/dbraw/zinc/64/42/67/1280644267.db2.gz GAUCFEBNDDAWQA-JTQLQIEISA-N 0 1 353.390 0.874 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1nnn[n-]1 ZINC001581882236 1280645236 /nfs/dbraw/zinc/64/52/36/1280645236.db2.gz QKDLNVDIGIBJKS-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882236 1280645243 /nfs/dbraw/zinc/64/52/43/1280645243.db2.gz QKDLNVDIGIBJKS-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882236 1280645245 /nfs/dbraw/zinc/64/52/45/1280645245.db2.gz QKDLNVDIGIBJKS-BXUZGUMPSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CCS(=O)(=O)C3(CCCCC3)C2)nc1-c1nn[nH]n1 ZINC001581883217 1280647558 /nfs/dbraw/zinc/64/75/58/1280647558.db2.gz RYBLMMOSFOBVLS-UHFFFAOYSA-N 0 1 374.430 0.466 20 30 FCEDMN CCOc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001609245068 1289016403 /nfs/dbraw/zinc/01/64/03/1289016403.db2.gz YQKZJMBWZQGHGO-UHFFFAOYSA-N 0 1 366.385 0.992 20 30 FCEDMN C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603920181 1287535026 /nfs/dbraw/zinc/53/50/26/1287535026.db2.gz KXSKUJWOIHZOJY-GWCFXTLKSA-N 0 1 358.431 0.199 20 30 FCEDMN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC[N@@H+]1C ZINC001603983293 1287547850 /nfs/dbraw/zinc/54/78/50/1287547850.db2.gz IENIWNRMMLSDNF-CYBMUJFWSA-N 0 1 350.419 0.002 20 30 FCEDMN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC[N@H+]1C ZINC001603983293 1287547852 /nfs/dbraw/zinc/54/78/52/1287547852.db2.gz IENIWNRMMLSDNF-CYBMUJFWSA-N 0 1 350.419 0.002 20 30 FCEDMN N#Cc1cn(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)[n-]c1=O ZINC001587547375 1282362715 /nfs/dbraw/zinc/36/27/15/1282362715.db2.gz KNSYAXKZZXDQAA-MRXNPFEDSA-N 0 1 367.409 0.601 20 30 FCEDMN C#C[C@@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588327519 1282420500 /nfs/dbraw/zinc/42/05/00/1282420500.db2.gz KPAHAEGGTCEJAD-VIFPVBQESA-N 0 1 350.360 0.855 20 30 FCEDMN C#C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588332176 1282423489 /nfs/dbraw/zinc/42/34/89/1282423489.db2.gz HGJHURWULRDZEE-SNVBAGLBSA-N 0 1 362.371 0.951 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](CC)C1 ZINC001588336588 1282428734 /nfs/dbraw/zinc/42/87/34/1282428734.db2.gz QNCMVIIIGQDQBF-ZIAGYGMSSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335892 1282428963 /nfs/dbraw/zinc/42/89/63/1282428963.db2.gz BOSKKNRZYZMXJQ-UONOGXRCSA-N 0 1 368.445 0.779 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338161 1282430427 /nfs/dbraw/zinc/43/04/27/1282430427.db2.gz AFYJKZFBJHZBIM-KBPBESRZSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588338508 1282431451 /nfs/dbraw/zinc/43/14/51/1282431451.db2.gz DGRRTYYPXFUEAB-GOSISDBHSA-N 0 1 366.429 0.889 20 30 FCEDMN C#CCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001588340588 1282436202 /nfs/dbraw/zinc/43/62/02/1282436202.db2.gz WHGSRMSYDXYKCW-CYBMUJFWSA-N 0 1 370.417 0.172 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588341510 1282437743 /nfs/dbraw/zinc/43/77/43/1282437743.db2.gz JOYCYASGGYKUBW-UONOGXRCSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588342668 1282438805 /nfs/dbraw/zinc/43/88/05/1282438805.db2.gz PGMPBNAOQLOAHU-UHFFFAOYSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@@H]1CCCO1 ZINC001588350496 1282444470 /nfs/dbraw/zinc/44/44/70/1282444470.db2.gz ACNRQWCCZBBSAN-NSHDSACASA-N 0 1 368.405 0.487 20 30 FCEDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)COc1ccc(C#N)cc1OC ZINC001635960369 1282446750 /nfs/dbraw/zinc/44/67/50/1282446750.db2.gz IBXBIRSKWXOZKH-CYBMUJFWSA-N 0 1 358.354 0.569 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N1CCC(Nc2ccccc2-c2nn[nH]n2)CC1 ZINC001588353615 1282450053 /nfs/dbraw/zinc/45/00/53/1282450053.db2.gz YSMLHMXSNZGEFP-CYBMUJFWSA-N 0 1 353.430 0.881 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001588355134 1282453673 /nfs/dbraw/zinc/45/36/73/1282453673.db2.gz FOHBMNPJGOCLTK-STQMWFEESA-N 0 1 357.418 0.419 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588355624 1282455602 /nfs/dbraw/zinc/45/56/02/1282455602.db2.gz KOPDAJJOJLFBHQ-KBPBESRZSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356440 1282458398 /nfs/dbraw/zinc/45/83/98/1282458398.db2.gz BYSWIZZXDVPMFJ-STQMWFEESA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588356440 1282458402 /nfs/dbraw/zinc/45/84/02/1282458402.db2.gz BYSWIZZXDVPMFJ-STQMWFEESA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356440 1282458406 /nfs/dbraw/zinc/45/84/06/1282458406.db2.gz BYSWIZZXDVPMFJ-STQMWFEESA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588356440 1282458409 /nfs/dbraw/zinc/45/84/09/1282458409.db2.gz BYSWIZZXDVPMFJ-STQMWFEESA-N 0 1 374.470 0.905 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588356883 1282463437 /nfs/dbraw/zinc/46/34/37/1282463437.db2.gz HAEPCBKUDMDGJN-MGPQQGTHSA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588357521 1282465563 /nfs/dbraw/zinc/46/55/63/1282465563.db2.gz KNJMCRCHWKEZSR-CYBMUJFWSA-N 0 1 374.420 0.934 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588357232 1282465794 /nfs/dbraw/zinc/46/57/94/1282465794.db2.gz JKGAOHXMWCZVEC-ZIAGYGMSSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCOCCC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588359369 1282474315 /nfs/dbraw/zinc/47/43/15/1282474315.db2.gz MICVCSJVPAUCGD-HNNXBMFYSA-N 0 1 355.402 0.030 20 30 FCEDMN C#CCOCCC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588359515 1282475126 /nfs/dbraw/zinc/47/51/26/1282475126.db2.gz QIOJAFZXRZFBNM-UHFFFAOYSA-N 0 1 355.402 0.259 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588359719 1282476827 /nfs/dbraw/zinc/47/68/27/1282476827.db2.gz XAPSOOUDVPMVDY-ZDUSSCGKSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCOc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)cc1 ZINC001588361832 1282483951 /nfs/dbraw/zinc/48/39/51/1282483951.db2.gz KUDNDYNKZJKTIE-UHFFFAOYSA-N 0 1 370.394 0.752 20 30 FCEDMN C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588361858 1282485449 /nfs/dbraw/zinc/48/54/49/1282485449.db2.gz LEPXLPRHNUXQNI-SECBINFHSA-N 0 1 356.321 0.809 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)cn1 ZINC001588364600 1282492423 /nfs/dbraw/zinc/49/24/23/1282492423.db2.gz HBOJMZRQZCNONL-UHFFFAOYSA-N 0 1 362.397 0.846 20 30 FCEDMN C#Cc1cncc(C(=O)NCCCN(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001588379844 1282495008 /nfs/dbraw/zinc/49/50/08/1282495008.db2.gz ONIJAMLKVGVKCP-UHFFFAOYSA-N 0 1 363.385 0.289 20 30 FCEDMN C=C(C)[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402299 1282500933 /nfs/dbraw/zinc/50/09/33/1282500933.db2.gz FBRMCLPUJDMXHX-OLZOCXBDSA-N 0 1 374.449 0.969 20 30 FCEDMN C=C1CC(C)(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588448897 1282507237 /nfs/dbraw/zinc/50/72/37/1282507237.db2.gz HEDGCNFIKWSJAQ-LBPRGKRZSA-N 0 1 354.418 0.695 20 30 FCEDMN C=C[C@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588468558 1282514861 /nfs/dbraw/zinc/51/48/61/1282514861.db2.gz UJSPWILWCWLBRC-JSGCOSHPSA-N 0 1 364.413 0.965 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001588498526 1282527111 /nfs/dbraw/zinc/52/71/11/1282527111.db2.gz BBSSMIPAMWLZJY-GOSISDBHSA-N 0 1 371.445 0.661 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503488 1282541603 /nfs/dbraw/zinc/54/16/03/1282541603.db2.gz YZYJHJJVZQUEQP-PXAZEXFGSA-N 0 1 359.434 0.838 20 30 FCEDMN C=CCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001588570714 1282569965 /nfs/dbraw/zinc/56/99/65/1282569965.db2.gz CHTYQEFDOCUWCC-OLZOCXBDSA-N 0 1 354.418 0.908 20 30 FCEDMN C=CCC[C@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588577498 1282573943 /nfs/dbraw/zinc/57/39/43/1282573943.db2.gz IYQSYSDTYWJRAK-LBPRGKRZSA-N 0 1 359.434 0.716 20 30 FCEDMN C=CCCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588587601 1282575258 /nfs/dbraw/zinc/57/52/58/1282575258.db2.gz YXXDSEHPASTCJZ-UHFFFAOYSA-N 0 1 372.433 0.461 20 30 FCEDMN C=CCC[C@@H]1CCCN1c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C ZINC001588582638 1282576225 /nfs/dbraw/zinc/57/62/25/1282576225.db2.gz MYVQHLSUFCCBDX-LLVKDONJSA-N 0 1 355.410 0.570 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588609054 1282585070 /nfs/dbraw/zinc/58/50/70/1282585070.db2.gz TYJAWMRGYYPSLQ-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588610398 1282586410 /nfs/dbraw/zinc/58/64/10/1282586410.db2.gz DFFSZFSNZJYPJH-CQSZACIVSA-N 0 1 371.445 0.845 20 30 FCEDMN C=CCCN1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001588609523 1282586599 /nfs/dbraw/zinc/58/65/99/1282586599.db2.gz PRPJSULIIOKIFD-UHFFFAOYSA-N 0 1 356.434 0.213 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588615690 1282592911 /nfs/dbraw/zinc/59/29/11/1282592911.db2.gz CYODOZZWQGLYID-LBPRGKRZSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCOCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616085 1282594605 /nfs/dbraw/zinc/59/46/05/1282594605.db2.gz UXZDNVXRVBTTDR-ZDUSSCGKSA-N 0 1 372.433 0.582 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001588659519 1282611471 /nfs/dbraw/zinc/61/14/71/1282611471.db2.gz NTUUNVLRJNVFAK-NWDGAFQWSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588672084 1282626892 /nfs/dbraw/zinc/62/68/92/1282626892.db2.gz RUTGTHAPABHRCI-TZMCWYRMSA-N 0 1 371.445 0.701 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588674508 1282631651 /nfs/dbraw/zinc/63/16/51/1282631651.db2.gz OYNTVKPDGZNSEX-LBPRGKRZSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1CC ZINC001588675962 1282634269 /nfs/dbraw/zinc/63/42/69/1282634269.db2.gz MCXNVJDRNCYXJE-NWDGAFQWSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682019 1282639011 /nfs/dbraw/zinc/63/90/11/1282639011.db2.gz UFJNAZVTSQEJAC-LBPRGKRZSA-N 0 1 358.406 0.074 20 30 FCEDMN C=CCn1cc(C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001588712738 1282658386 /nfs/dbraw/zinc/65/83/86/1282658386.db2.gz CIKVZQJCLFVSRC-LLVKDONJSA-N 0 1 368.405 0.294 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588738155 1282678554 /nfs/dbraw/zinc/67/85/54/1282678554.db2.gz SIPJZUPCIVQKMU-QWHCGFSZSA-N 0 1 354.418 0.531 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001588744383 1282686725 /nfs/dbraw/zinc/68/67/25/1282686725.db2.gz YQORECZHWRYQLN-SJORKVTESA-N 0 1 368.441 0.722 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588928543 1282729160 /nfs/dbraw/zinc/72/91/60/1282729160.db2.gz GVFMCNOZQHPRAW-LXIYXOSZSA-N 0 1 366.429 0.884 20 30 FCEDMN C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588939400 1282736568 /nfs/dbraw/zinc/73/65/68/1282736568.db2.gz AOOLEQDLTPJRLH-MFKMUULPSA-N 0 1 367.373 0.083 20 30 FCEDMN C[C@H](C(=O)OCCOc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589029507 1282776560 /nfs/dbraw/zinc/77/65/60/1282776560.db2.gz CHAQGZJAAIZPQM-SNVBAGLBSA-N 0 1 354.330 0.513 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589068757 1282790975 /nfs/dbraw/zinc/79/09/75/1282790975.db2.gz XCXQQJOPXJBDIC-ZDUSSCGKSA-N 0 1 368.445 0.779 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001589158317 1282812393 /nfs/dbraw/zinc/81/23/93/1282812393.db2.gz XAVOHAYCDNCFQW-ZJUUUORDSA-N 0 1 357.378 0.828 20 30 FCEDMN CC(C)C#CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589379902 1282854584 /nfs/dbraw/zinc/85/45/84/1282854584.db2.gz FQSJBBXALOIQKN-UHFFFAOYSA-N 0 1 356.434 0.635 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589380167 1282858236 /nfs/dbraw/zinc/85/82/36/1282858236.db2.gz OCTUQTRFFHZEAI-STQMWFEESA-N 0 1 354.418 0.387 20 30 FCEDMN CC(C)CN(CC(F)(F)F)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001589619690 1282915170 /nfs/dbraw/zinc/91/51/70/1282915170.db2.gz LKZDLEXORGIRHD-UHFFFAOYSA-N 0 1 371.327 0.564 20 30 FCEDMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC001589753037 1282980543 /nfs/dbraw/zinc/98/05/43/1282980543.db2.gz LHHWBXQTCUSDHV-DGCLKSJQSA-N 0 1 356.390 0.887 20 30 FCEDMN C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589911760 1283118895 /nfs/dbraw/zinc/11/88/95/1283118895.db2.gz DSRISZXWQKQCOL-TZMCWYRMSA-N 0 1 366.429 0.791 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590169825 1283263234 /nfs/dbraw/zinc/26/32/34/1283263234.db2.gz DNQXVYRKKLGGGG-GHMZBOCLSA-N 0 1 373.446 0.387 20 30 FCEDMN CCOC(=O)c1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001604390227 1287630487 /nfs/dbraw/zinc/63/04/87/1287630487.db2.gz NGYRAIPCIHEXAA-UHFFFAOYSA-N 0 1 366.341 0.750 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590196455 1283304993 /nfs/dbraw/zinc/30/49/93/1283304993.db2.gz IVQFEOXLBVIFCV-WCQYABFASA-N 0 1 352.402 0.544 20 30 FCEDMN CCN(CCCNC(=O)c1ccc(C#N)[nH]1)c1ccnc(-c2nn[nH]n2)n1 ZINC001590699372 1283743245 /nfs/dbraw/zinc/74/32/45/1283743245.db2.gz ANWARLMTJIAQNN-UHFFFAOYSA-N 0 1 366.389 0.503 20 30 FCEDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001683042839 1283845302 /nfs/dbraw/zinc/84/53/02/1283845302.db2.gz KPUROLAMRQLDNJ-LBPRGKRZSA-N 0 1 350.423 0.240 20 30 FCEDMN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001604600722 1287677565 /nfs/dbraw/zinc/67/75/65/1287677565.db2.gz QZAYFQMGDMGMFZ-LWGWVAHUSA-N 0 1 354.366 0.545 20 30 FCEDMN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001604600722 1287677573 /nfs/dbraw/zinc/67/75/73/1287677573.db2.gz QZAYFQMGDMGMFZ-LWGWVAHUSA-N 0 1 354.366 0.545 20 30 FCEDMN CN(C)C(=O)CN1CCC(Nc2c(C#N)cccc2-c2nn[nH]n2)CC1 ZINC001591000495 1284056968 /nfs/dbraw/zinc/05/69/68/1284056968.db2.gz HLEORWZZFMIWNY-UHFFFAOYSA-N 0 1 354.418 0.703 20 30 FCEDMN CN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CC#Cc1ccccc1 ZINC001591107344 1284180131 /nfs/dbraw/zinc/18/01/31/1284180131.db2.gz OGUXVSWUAYGNIQ-UHFFFAOYSA-N 0 1 361.409 0.996 20 30 FCEDMN CN(CCOCCNc1ccncc1-c1nn[nH]n1)C(=O)C#CC(C)(C)C ZINC001591113519 1284189932 /nfs/dbraw/zinc/18/99/32/1284189932.db2.gz ZQEWQBBUGSBMLG-UHFFFAOYSA-N 0 1 371.445 0.620 20 30 FCEDMN COc1cc(C#N)ccc1COC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591506908 1284692573 /nfs/dbraw/zinc/69/25/73/1284692573.db2.gz SHJQNMARWLPYMP-SECBINFHSA-N 0 1 354.330 0.643 20 30 FCEDMN Cc1cc(N2CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002023 1285052522 /nfs/dbraw/zinc/05/25/22/1285052522.db2.gz UCNLAMBGZPPKTD-GOEBONIOSA-N 0 1 369.429 0.285 20 30 FCEDMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592012885 1285064356 /nfs/dbraw/zinc/06/43/56/1285064356.db2.gz IDBZYXNDAYIRLZ-JYAVWHMHSA-N 0 1 370.442 0.378 20 30 FCEDMN CN(CCCOc1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001604755942 1287764958 /nfs/dbraw/zinc/76/49/58/1287764958.db2.gz DVNVCANZLGMOBZ-UHFFFAOYSA-N 0 1 366.385 0.862 20 30 FCEDMN Cn1c(C#N)ccc1C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001592546845 1285455608 /nfs/dbraw/zinc/45/56/08/1285455608.db2.gz ZSVBXLFVIXVLCH-UHFFFAOYSA-N 0 1 374.368 0.969 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592679382 1285575751 /nfs/dbraw/zinc/57/57/51/1285575751.db2.gz OYWAPCOGZRCDQV-CQSZACIVSA-N 0 1 357.443 0.814 20 30 FCEDMN N#CCOc1cccc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001592680549 1285578786 /nfs/dbraw/zinc/57/87/86/1285578786.db2.gz TWWQRLGWAFPHCI-UHFFFAOYSA-N 0 1 354.334 0.182 20 30 FCEDMN N#Cc1ncc(NCCNC(=O)Cc2cccc(F)c2)nc1-c1nn[nH]n1 ZINC001592710162 1285596967 /nfs/dbraw/zinc/59/69/67/1285596967.db2.gz HRWMJUAMRHMQCA-UHFFFAOYSA-N 0 1 367.348 0.438 20 30 FCEDMN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001593681665 1286211698 /nfs/dbraw/zinc/21/16/98/1286211698.db2.gz GVHMLKUUFZFBPN-BLLLJJGKSA-N 0 1 362.455 0.435 20 30 FCEDMN N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCCN(CCC(=O)[O-])C3=O)C2)nc1 ZINC001601109138 1286634938 /nfs/dbraw/zinc/63/49/38/1286634938.db2.gz GRDSSAVSMGGWCP-GJZGRUSLSA-N 0 1 358.398 0.872 20 30 FCEDMN C#CCCCC(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602703337 1287066956 /nfs/dbraw/zinc/06/69/56/1287066956.db2.gz OCLXWCVDPPWJHZ-UHFFFAOYSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCCC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602706652 1287068676 /nfs/dbraw/zinc/06/86/76/1287068676.db2.gz XTWJLDQDIBMVGS-UHFFFAOYSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCCCC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602710682 1287069120 /nfs/dbraw/zinc/06/91/20/1287069120.db2.gz ZSKQODKSJWVEOW-UHFFFAOYSA-N 0 1 368.445 0.969 20 30 FCEDMN C#CC[NH+]1CCC(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001602718535 1287074550 /nfs/dbraw/zinc/07/45/50/1287074550.db2.gz XFOJHCJGKASFHW-UHFFFAOYSA-N 0 1 368.445 0.525 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001602724862 1287083599 /nfs/dbraw/zinc/08/35/99/1287083599.db2.gz HLNPGFNHWPMKPY-MELADBBJSA-N 0 1 367.413 0.195 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602725537 1287084250 /nfs/dbraw/zinc/08/42/50/1287084250.db2.gz KUXJUJUVQQIQCG-HIFPTAJRSA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCNC(=O)CC[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001602724979 1287084268 /nfs/dbraw/zinc/08/42/68/1287084268.db2.gz MPXROIZHVDLCFM-ZDUSSCGKSA-N 0 1 365.430 0.379 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001602726115 1287086995 /nfs/dbraw/zinc/08/69/95/1287086995.db2.gz CEWYQWQOTGPQDV-DZGCQCFKSA-N 0 1 371.445 0.665 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001602727576 1287093578 /nfs/dbraw/zinc/09/35/78/1287093578.db2.gz PWLGSVVJQUAKJP-HNNXBMFYSA-N 0 1 369.429 0.372 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)cn1 ZINC001602736692 1287098679 /nfs/dbraw/zinc/09/86/79/1287098679.db2.gz FGSWRKSVVSVMRH-LBPRGKRZSA-N 0 1 362.397 0.893 20 30 FCEDMN C#Cc1ccc(C(=O)NCCCN(C)c2ccncc2-c2nn[nH]n2)cn1 ZINC001602739854 1287101696 /nfs/dbraw/zinc/10/16/96/1287101696.db2.gz QEHLANHJXWFOGH-UHFFFAOYSA-N 0 1 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358.402 0.188 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2cccc(C)c2)C[C@@H]1n1ccnn1 ZINC001129568197 1201347055 /nfs/dbraw/zinc/34/70/55/1201347055.db2.gz AOAOXHFCQQBYAW-MSOLQXFVSA-N 0 1 353.426 0.892 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCCC)C[C@@H]1n1ccnn1 ZINC001129594745 1201355332 /nfs/dbraw/zinc/35/53/32/1201355332.db2.gz OWILNHADAZEUHZ-OAGGEKHMSA-N 0 1 362.478 0.891 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(CC)CC)C[C@@H]1n1ccnn1 ZINC001129637619 1201361463 /nfs/dbraw/zinc/36/14/63/1201361463.db2.gz CKJNHHYYNPKPGT-BMFZPTHFSA-N 0 1 362.478 0.747 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](NCC(=O)N[C@H](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129667347 1201364711 /nfs/dbraw/zinc/36/47/11/1201364711.db2.gz TYJDAUSYEPPHDD-OAGGEKHMSA-N 0 1 362.478 0.747 20 30 FCEDMN O=C(c1cocn1)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129671711 1201365681 /nfs/dbraw/zinc/36/56/81/1201365681.db2.gz XCJFPRSLPHWBAS-AEFFLSMTSA-N 0 1 362.393 0.973 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](NCc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001129681233 1201368750 /nfs/dbraw/zinc/36/87/50/1201368750.db2.gz LSHHLSSVUPRQDH-SJORKVTESA-N 0 1 356.430 0.726 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NCCCC)[C@@H](n2ccnn2)C1 ZINC001129677700 1201375802 /nfs/dbraw/zinc/37/58/02/1201375802.db2.gz LIJLIJDZIRJQIL-XHSDSOJGSA-N 0 1 362.478 0.891 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@@H]1n1ccnn1 ZINC001129737220 1201382172 /nfs/dbraw/zinc/38/21/72/1201382172.db2.gz KEAHOYDGGSZPQM-MCIONIFRSA-N 0 1 364.425 0.574 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](N[C@H](C)C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129778283 1201395595 /nfs/dbraw/zinc/39/55/95/1201395595.db2.gz ROPKWIUXABYQOS-OAGGEKHMSA-N 0 1 360.462 0.290 20 30 FCEDMN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129822500 1201401314 /nfs/dbraw/zinc/40/13/14/1201401314.db2.gz VHIOBGHWKIOFSP-SJORKVTESA-N 0 1 369.473 0.911 20 30 FCEDMN CCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129822541 1201401389 /nfs/dbraw/zinc/40/13/89/1201401389.db2.gz WQELBTLQNMJSHI-OAGGEKHMSA-N 0 1 360.462 0.194 20 30 FCEDMN Cc1nc([C@H](C)N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2n2ccnn2)n[nH]1 ZINC001129825384 1201402024 /nfs/dbraw/zinc/40/20/24/1201402024.db2.gz VIEKLAMFRIJRAX-CFVMTHIKSA-N 0 1 370.461 0.857 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ncnc3sccc32)C[C@@H]1n1ccnn1 ZINC001129849958 1201405101 /nfs/dbraw/zinc/40/51/01/1201405101.db2.gz FOOCWMUCQKSOHS-KGLIPLIRSA-N 0 1 367.438 0.961 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001129858029 1201406469 /nfs/dbraw/zinc/40/64/69/1201406469.db2.gz LNYFQUNJZUYWRC-CVEARBPZSA-N 0 1 371.445 0.072 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](NCC(=O)Nc2ccon2)[C@@H](n2ccnn2)C1 ZINC001129833779 1201408772 /nfs/dbraw/zinc/40/87/72/1201408772.db2.gz DZUZFOUEIQFPJQ-KGLIPLIRSA-N 0 1 371.401 0.050 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@@H]1n1ccnn1 ZINC001129833832 1201409002 /nfs/dbraw/zinc/40/90/02/1201409002.db2.gz GPXJANBIESCXDJ-LUXPAOAYSA-N 0 1 358.446 0.114 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001129834022 1201409198 /nfs/dbraw/zinc/40/91/98/1201409198.db2.gz LIOFNYFIQBUYIH-CFVMTHIKSA-N 0 1 356.434 0.611 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001129887657 1201413869 /nfs/dbraw/zinc/41/38/69/1201413869.db2.gz KTCYBFFFCKKSFM-KFWWJZLASA-N 0 1 367.400 0.705 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@@H]1n1ccnn1 ZINC001129890233 1201414607 /nfs/dbraw/zinc/41/46/07/1201414607.db2.gz CVQZPCOWRWXUTD-SJORKVTESA-N 0 1 366.425 0.935 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129875082 1201418461 /nfs/dbraw/zinc/41/84/61/1201418461.db2.gz XPTAGIOVYNQCQW-CABCVRRESA-N 0 1 360.462 0.454 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@@H](N[C@H](C)C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129876373 1201419312 /nfs/dbraw/zinc/41/93/12/1201419312.db2.gz NYKSZPYOLPOSMF-KFWWJZLASA-N 0 1 362.478 0.699 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1n1ccnn1 ZINC001129910394 1201423235 /nfs/dbraw/zinc/42/32/35/1201423235.db2.gz QWRJONMRHLHVFU-CVEARBPZSA-N 0 1 355.446 0.583 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cncc(OC)c2C)C[C@@H]1n1ccnn1 ZINC001129915100 1201426514 /nfs/dbraw/zinc/42/65/14/1201426514.db2.gz YRDJVWDLAHIMPT-CVEARBPZSA-N 0 1 354.414 0.669 20 30 FCEDMN C#CCC1(C(=O)N2C[C@@H](N[C@H]3CCCNC3=O)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894309 1201428516 /nfs/dbraw/zinc/42/85/16/1201428516.db2.gz ACUMUIKNADMRPZ-XHSDSOJGSA-N 0 1 370.457 0.092 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@@H]1n1ccnn1 ZINC001129898206 1201432313 /nfs/dbraw/zinc/43/23/13/1201432313.db2.gz QALJSOMHSQEGQV-KGLIPLIRSA-N 0 1 367.438 0.961 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@@H]1n1ccnn1 ZINC001129898414 1201432368 /nfs/dbraw/zinc/43/23/68/1201432368.db2.gz UOTYDCSPHCTWHW-SJORKVTESA-N 0 1 354.414 0.498 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ncc(C)cc2C)C[C@@H]1n1ccnn1 ZINC001129939346 1201438771 /nfs/dbraw/zinc/43/87/71/1201438771.db2.gz CPRFCUNPKJDSQV-SJORKVTESA-N 0 1 368.441 0.595 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001129939835 1201439004 /nfs/dbraw/zinc/43/90/04/1201439004.db2.gz YTIUCCDWVYZYTP-IECFSIQFSA-N 0 1 373.457 0.085 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)cc(C)n2)C[C@@H]1n1ccnn1 ZINC001129920852 1201441643 /nfs/dbraw/zinc/44/16/43/1201441643.db2.gz BPDIRVGERVQIMB-MSOLQXFVSA-N 0 1 368.441 0.595 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001129951967 1201447769 /nfs/dbraw/zinc/44/77/69/1201447769.db2.gz DCCZJLNTDYCBJL-KGLIPLIRSA-N 0 1 355.402 0.069 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@@H]1n1ccnn1 ZINC001129959418 1201451386 /nfs/dbraw/zinc/45/13/86/1201451386.db2.gz VQOYEYKIZWIURD-BBWFWOEESA-N 0 1 370.457 0.115 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](NCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129972852 1201459303 /nfs/dbraw/zinc/45/93/03/1201459303.db2.gz OVBSPNFKRYMVLH-SJORKVTESA-N 0 1 355.446 0.747 20 30 FCEDMN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129978157 1201460227 /nfs/dbraw/zinc/46/02/27/1201460227.db2.gz TXVAHQJNFIQFHC-OAGGEKHMSA-N 0 1 362.478 0.747 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129978202 1201460312 /nfs/dbraw/zinc/46/03/12/1201460312.db2.gz VMCIOBZWAPRNSX-UPJWGTAASA-N 0 1 360.422 0.246 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129997661 1201465872 /nfs/dbraw/zinc/46/58/72/1201465872.db2.gz WRCAHBSXQOVNGT-ZNMIVQPWSA-N 0 1 360.462 0.453 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](N[C@H](C)C(=O)N(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129997660 1201466018 /nfs/dbraw/zinc/46/60/18/1201466018.db2.gz WRCAHBSXQOVNGT-KFWWJZLASA-N 0 1 360.462 0.453 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129986452 1201468204 /nfs/dbraw/zinc/46/82/04/1201468204.db2.gz ACEIFDSKPREUFE-IMJJTQAJSA-N 0 1 360.462 0.643 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1n1ccnn1 ZINC001130002664 1201468222 /nfs/dbraw/zinc/46/82/22/1201468222.db2.gz MKFIHZIWLUDKOR-CVEARBPZSA-N 0 1 370.413 0.449 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)CC)C[C@@H]1n1ccnn1 ZINC001129992242 1201470550 /nfs/dbraw/zinc/47/05/50/1201470550.db2.gz ULEIENFYRJWHBI-KFWWJZLASA-N 0 1 360.462 0.194 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@@H]1n1ccnn1 ZINC001130047639 1201486265 /nfs/dbraw/zinc/48/62/65/1201486265.db2.gz LRVGNTSVRVNBFM-SJORKVTESA-N 0 1 354.414 0.287 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@@H]1n1ccnn1 ZINC001130066596 1201490286 /nfs/dbraw/zinc/49/02/86/1201490286.db2.gz GQCSIRJOJPPKAH-CVEARBPZSA-N 0 1 363.462 0.332 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@@H]1n1ccnn1 ZINC001130071554 1201491576 /nfs/dbraw/zinc/49/15/76/1201491576.db2.gz XTYZZNZEXHSHLX-SJORKVTESA-N 0 1 363.425 0.843 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@@H]1n1ccnn1 ZINC001130057295 1201491595 /nfs/dbraw/zinc/49/15/95/1201491595.db2.gz SMJCBYPHYXPECE-SJORKVTESA-N 0 1 355.446 0.809 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001130083962 1201493386 /nfs/dbraw/zinc/49/33/86/1201493386.db2.gz RWXFUGYXKWNIAN-OAGGEKHMSA-N 0 1 358.446 0.044 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@@H]1n1ccnn1 ZINC001130100039 1201499844 /nfs/dbraw/zinc/49/98/44/1201499844.db2.gz WQLQKGGLXZVXNI-MSOLQXFVSA-N 0 1 353.426 0.894 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CO[C@@H](C)c2nccn2C)C[C@@H]1n1ccnn1 ZINC001130110139 1201503829 /nfs/dbraw/zinc/50/38/29/1201503829.db2.gz WXSKRQLJWNNIJD-XHSDSOJGSA-N 0 1 371.445 0.154 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H](C)OCc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001130110016 1201503974 /nfs/dbraw/zinc/50/39/74/1201503974.db2.gz PPTYJHMOFMOMQQ-QGTPRVQTSA-N 0 1 371.416 0.997 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@@H]1n1ccnn1 ZINC001130129544 1201508713 /nfs/dbraw/zinc/50/87/13/1201508713.db2.gz MYAVWOSDPCUXQK-ZNMIVQPWSA-N 0 1 370.413 0.054 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@@H]1n1ccnn1 ZINC001130120650 1201510684 /nfs/dbraw/zinc/51/06/84/1201510684.db2.gz BEZNQCKIXATGOA-CVEARBPZSA-N 0 1 367.409 0.728 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001130137251 1201514476 /nfs/dbraw/zinc/51/44/76/1201514476.db2.gz PRIWHUHUSPAJPM-MSOLQXFVSA-N 0 1 363.425 0.762 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1n1ccnn1 ZINC001130153469 1201518078 /nfs/dbraw/zinc/51/80/78/1201518078.db2.gz UBFHCELSKLMJBS-SJORKVTESA-N 0 1 353.430 0.418 20 30 FCEDMN Cc1ccc(C(=O)NCc2nnc([C@H]3CCO[C@H]3CNCC#N)[nH]2)cn1 ZINC001130186632 1201527318 /nfs/dbraw/zinc/52/73/18/1201527318.db2.gz IFTNVJVIBBKZQU-KBPBESRZSA-N 0 1 355.402 0.424 20 30 FCEDMN Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3CNCC#N)n2)cn1 ZINC001130186632 1201527325 /nfs/dbraw/zinc/52/73/25/1201527325.db2.gz IFTNVJVIBBKZQU-KBPBESRZSA-N 0 1 355.402 0.424 20 30 FCEDMN CCCCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130193294 1201531564 /nfs/dbraw/zinc/53/15/64/1201531564.db2.gz QMLTZDWXMFRYBD-RDBSUJKOSA-N 0 1 364.450 0.612 20 30 FCEDMN CCCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130193294 1201531568 /nfs/dbraw/zinc/53/15/68/1201531568.db2.gz QMLTZDWXMFRYBD-RDBSUJKOSA-N 0 1 364.450 0.612 20 30 FCEDMN Cc1cc(C)c(C(=O)NCc2nnc([C@H]3CCO[C@H]3CNCC#N)[nH]2)o1 ZINC001130196146 1201533005 /nfs/dbraw/zinc/53/30/05/1201533005.db2.gz UKWHVOHMRNERDR-STQMWFEESA-N 0 1 358.402 0.930 20 30 FCEDMN Cc1cc(C)c(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3CNCC#N)n2)o1 ZINC001130196146 1201533006 /nfs/dbraw/zinc/53/30/06/1201533006.db2.gz UKWHVOHMRNERDR-STQMWFEESA-N 0 1 358.402 0.930 20 30 FCEDMN Cc1cc(C(=O)NCc2nnc([C@H]3CCO[C@H]3CNCC#N)[nH]2)c(C)o1 ZINC001130183153 1201535669 /nfs/dbraw/zinc/53/56/69/1201535669.db2.gz 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ZINC001055574866 1219084129 /nfs/dbraw/zinc/08/41/29/1219084129.db2.gz AUDMMGIATAGYSK-APWZRJJASA-N 0 1 361.486 0.912 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCN1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055576215 1219084721 /nfs/dbraw/zinc/08/47/21/1219084721.db2.gz UOTZLMOJRSOWET-JXXFODFXSA-N 0 1 361.486 0.912 20 30 FCEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)[C@@H](n2ccnn2)C1 ZINC001070067962 1219131656 /nfs/dbraw/zinc/13/16/56/1219131656.db2.gz YYDFPBALAYKMKO-XKQJLSEDSA-N 0 1 367.457 0.805 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069245 1219134320 /nfs/dbraw/zinc/13/43/20/1219134320.db2.gz SQDKSSMDQSIORI-CVEARBPZSA-N 0 1 356.430 0.896 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072480 1219138761 /nfs/dbraw/zinc/13/87/61/1219138761.db2.gz KCQADUPBKATQSD-OAGGEKHMSA-N 0 1 360.462 0.454 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083944 1219152261 /nfs/dbraw/zinc/15/22/61/1219152261.db2.gz URRQXWVXEKOMTK-XHSDSOJGSA-N 0 1 358.446 0.092 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092715 1219161525 /nfs/dbraw/zinc/16/15/25/1219161525.db2.gz OPSNUUWZXPWSHM-CVEARBPZSA-N 0 1 358.446 0.046 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070100086 1219172480 /nfs/dbraw/zinc/17/24/80/1219172480.db2.gz DMPITXBIIWFEBQ-XKQJLSEDSA-N 0 1 355.446 0.724 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070101778 1219176962 /nfs/dbraw/zinc/17/69/62/1219176962.db2.gz MEXUJOQZXLGAQU-XHSDSOJGSA-N 0 1 358.446 0.044 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070108167 1219182558 /nfs/dbraw/zinc/18/25/58/1219182558.db2.gz MYBGWUHKXRZMPQ-XYPHTWIQSA-N 0 1 369.473 0.797 20 30 FCEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]2n2ccnn2)C1=O ZINC001070175720 1219267018 /nfs/dbraw/zinc/26/70/18/1219267018.db2.gz 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C#CCN[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001070337023 1219385005 /nfs/dbraw/zinc/38/50/05/1219385005.db2.gz IMLIQEPVJILSEZ-WQVCFCJDSA-N 0 1 355.446 0.407 20 30 FCEDMN CC#CCN1C[C@@H](OC)C[C@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2C)n[nH]1 ZINC001070360425 1219396456 /nfs/dbraw/zinc/39/64/56/1219396456.db2.gz TXZYHSBZAHEHJO-HOSILWTGSA-N 0 1 361.446 0.631 20 30 FCEDMN CC#CCN1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2C)[nH]1 ZINC001070360425 1219396461 /nfs/dbraw/zinc/39/64/61/1219396461.db2.gz TXZYHSBZAHEHJO-HOSILWTGSA-N 0 1 361.446 0.631 20 30 FCEDMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001070372760 1219402303 /nfs/dbraw/zinc/40/23/03/1219402303.db2.gz FSNBHXGVYWYNAA-NUJGCVRESA-N 0 1 361.490 0.470 20 30 FCEDMN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccnnc2C)CC1 ZINC001070373877 1219402773 /nfs/dbraw/zinc/40/27/73/1219402773.db2.gz IGKWXFHAQDMBKR-AEFFLSMTSA-N 0 1 355.442 0.507 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC(=O)N2CCCC2)C1 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/nfs/dbraw/zinc/44/06/40/1219440640.db2.gz MRNSDIHKADRYSA-WMLDXEAASA-N 0 1 363.425 0.831 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1c1cn(C)cn1 ZINC001070505834 1219443446 /nfs/dbraw/zinc/44/34/46/1219443446.db2.gz KZMWWMCJKLAQBT-XYJFISCASA-N 0 1 366.469 0.705 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](N[C@H](C)C(N)=O)C2)cc1 ZINC001070520945 1219450863 /nfs/dbraw/zinc/45/08/63/1219450863.db2.gz ODSJSGGCTFKMHA-RPVQJOFSSA-N 0 1 365.437 0.473 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](N[C@H]3CCNC3=O)C2)C1 ZINC001070532666 1219456634 /nfs/dbraw/zinc/45/66/34/1219456634.db2.gz QFMIBPQEZHCQJI-OFQRWUPVSA-N 0 1 357.458 0.549 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1c1cn(C)cn1 ZINC001070531448 1219456871 /nfs/dbraw/zinc/45/68/71/1219456871.db2.gz YDWGPUGXQNKKCF-UWWQBHOKSA-N 0 1 353.426 0.800 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1c1cn(C)cn1 ZINC001070540692 1219459775 /nfs/dbraw/zinc/45/97/75/1219459775.db2.gz 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C[C@@]1(CNC(=O)CSCC#N)CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575979426 1272635417 /nfs/dbraw/zinc/63/54/17/1272635417.db2.gz KHKYUEYCDSCUKK-INIZCTEOSA-N 0 1 364.475 0.739 20 30 FCEDMN C[C@@]1(CNC(=O)CSCC#N)CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575979426 1272635427 /nfs/dbraw/zinc/63/54/27/1272635427.db2.gz KHKYUEYCDSCUKK-INIZCTEOSA-N 0 1 364.475 0.739 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)CCCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036484 1272748476 /nfs/dbraw/zinc/74/84/76/1272748476.db2.gz BYSKTCBZYVFHSF-NHYWBVRUSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)CCCc2cnn[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036484 1272748480 /nfs/dbraw/zinc/74/84/80/1272748480.db2.gz BYSKTCBZYVFHSF-NHYWBVRUSA-N 0 1 355.402 0.747 20 30 FCEDMN CC[C@@H](CNC(=O)C#CC1CC1)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001576237457 1273006540 /nfs/dbraw/zinc/00/65/40/1273006540.db2.gz WFVTVRWLRMCEOX-INIZCTEOSA-N 0 1 372.473 0.441 20 30 FCEDMN CCc1nc(C#N)cc(N(CC)CCNC(=O)[C@@H](C)OCc2c[nH]nn2)n1 ZINC001576654094 1273512571 /nfs/dbraw/zinc/51/25/71/1273512571.db2.gz WRTNBXPWVVCYSD-GFCCVEGCSA-N 0 1 372.433 0.577 20 30 FCEDMN CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001576734370 1273605871 /nfs/dbraw/zinc/60/58/71/1273605871.db2.gz TVGQITOLWGYDJA-UHFFFAOYSA-N 0 1 355.402 0.700 20 30 FCEDMN CN(CCNCc1ccccc1C#N)C(=O)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001576834880 1273761595 /nfs/dbraw/zinc/76/15/95/1273761595.db2.gz YNLAGQNNTORSAK-SFHVURJKSA-N 0 1 367.457 0.889 20 30 FCEDMN COCC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)c2ncc[nH]2)CC1 ZINC001576951456 1273969995 /nfs/dbraw/zinc/96/99/95/1273969995.db2.gz AGNHTQDJAQZEPK-UHFFFAOYSA-N 0 1 357.418 0.284 20 30 FCEDMN COCC#CCN1CC[C@@H]2CN(C(=O)c3cncc(-c4cn[nH]n4)c3)[C@@H]2C1 ZINC001576952238 1273971501 /nfs/dbraw/zinc/97/15/01/1273971501.db2.gz FTXZGGPWGIVMHX-RDTXWAMCSA-N 0 1 366.425 0.663 20 30 FCEDMN COCCC(=O)N(Cc1c[nH]nn1)C1CCN(c2nccnc2C#N)CC1 ZINC001576977834 1274002566 /nfs/dbraw/zinc/00/25/66/1274002566.db2.gz UGFVVFUAGJLXBK-UHFFFAOYSA-N 0 1 370.417 0.500 20 30 FCEDMN C[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1Nc1nccnc1C#N ZINC001577159254 1274208906 /nfs/dbraw/zinc/20/89/06/1274208906.db2.gz ZHZMBXSBWRFDNV-BXUZGUMPSA-N 0 1 356.390 0.332 20 30 FCEDMN Cc1nc[nH]c1C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@H](C)C#N)CC1 ZINC001577219560 1274257282 /nfs/dbraw/zinc/25/72/82/1274257282.db2.gz LPRCASHXEBRGRP-LLVKDONJSA-N 0 1 370.417 0.629 20 30 FCEDMN Cc1cc(C#N)nc(N[C@H](CNC(=O)[C@H](C)OCc2c[nH]nn2)C2CC2)n1 ZINC001577256243 1274283176 /nfs/dbraw/zinc/28/31/76/1274283176.db2.gz KPBGTYUHPHUWQD-XHDPSFHLSA-N 0 1 370.417 0.687 20 30 FCEDMN CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577523021 1274469265 /nfs/dbraw/zinc/46/92/65/1274469265.db2.gz KLOYWZMNKBMUMT-VXGBXAGGSA-N 0 1 355.406 0.634 20 30 FCEDMN N#C[C@H]1CN(CC(=O)NC(=O)Nc2cccc(-c3cn[nH]n3)c2)CCO1 ZINC001577706410 1274766788 /nfs/dbraw/zinc/76/67/88/1274766788.db2.gz GAUATZNZSQTWHG-ZDUSSCGKSA-N 0 1 355.358 0.344 20 30 FCEDMN N#CCSCC(=O)NC/C=C\CNC(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001577710241 1274771419 /nfs/dbraw/zinc/77/14/19/1274771419.db2.gz TZCFXLFRYLFGHV-UPHRSURJSA-N 0 1 362.459 0.563 20 30 FCEDMN N#CCSCC(=O)NC/C=C\CNC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001577710241 1274771422 /nfs/dbraw/zinc/77/14/22/1274771422.db2.gz TZCFXLFRYLFGHV-UPHRSURJSA-N 0 1 362.459 0.563 20 30 FCEDMN N#CCSCC(=O)N1CC(CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001577710365 1274772192 /nfs/dbraw/zinc/77/21/92/1274772192.db2.gz ZDSCJMZIIOXEBC-UHFFFAOYSA-N 0 1 350.448 0.349 20 30 FCEDMN N#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)[nH]1 ZINC001577712275 1274772230 /nfs/dbraw/zinc/77/22/30/1274772230.db2.gz HKWXGPBCRKRTGC-UTNFCUCBSA-N 0 1 351.414 0.987 20 30 FCEDMN N#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)C[C@H]21 ZINC001577710277 1274772865 /nfs/dbraw/zinc/77/28/65/1274772865.db2.gz VVEYOVZVAYIPHB-CGTJXYLNSA-N 0 1 371.489 0.757 20 30 FCEDMN N#Cc1ccc(N2CC[C@H](NC(=O)CCCc3c[nH]nn3)[C@@H](O)C2)nc1 ZINC001577715389 1274775429 /nfs/dbraw/zinc/77/54/29/1274775429.db2.gz NWNGDXJGCPBOML-GJZGRUSLSA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1ccc(N2CC[C@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C2)nc1 ZINC001577715389 1274775441 /nfs/dbraw/zinc/77/54/41/1274775441.db2.gz NWNGDXJGCPBOML-GJZGRUSLSA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1ccc(Cn2cc(NC(=O)N[C@@H](CO)Cc3c[nH]nn3)cn2)cc1 ZINC001577715964 1274776185 /nfs/dbraw/zinc/77/61/85/1274776185.db2.gz ZYXJYBYLVHQOPQ-OAHLLOKOSA-N 0 1 366.385 0.646 20 30 FCEDMN N#Cc1ccc(Cn2cc(NC(=O)N[C@@H](CO)Cc3cnn[nH]3)cn2)cc1 ZINC001577715964 1274776193 /nfs/dbraw/zinc/77/61/93/1274776193.db2.gz ZYXJYBYLVHQOPQ-OAHLLOKOSA-N 0 1 366.385 0.646 20 30 FCEDMN N#Cc1ccc(N2CCCO[C@@H](CNC(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001577715929 1274778134 /nfs/dbraw/zinc/77/81/34/1274778134.db2.gz ZHCXUGDPRLNAQD-HNNXBMFYSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1ccc(N2CCCO[C@@H](CNC(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001577715929 1274778142 /nfs/dbraw/zinc/77/81/42/1274778142.db2.gz ZHCXUGDPRLNAQD-HNNXBMFYSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1cncc(NC[C@@H](NC(=O)CCOCc2c[nH]nn2)C2CC2)n1 ZINC001577719109 1274781475 /nfs/dbraw/zinc/78/14/75/1274781475.db2.gz JEJQGEXTSISYLU-CQSZACIVSA-N 0 1 356.390 0.380 20 30 FCEDMN O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@H]2C1 ZINC001577746396 1274823141 /nfs/dbraw/zinc/82/31/41/1274823141.db2.gz YIUWOQYDPHNPIS-CVEARBPZSA-N 0 1 355.442 0.848 20 30 FCEDMN O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C[C@H]2C1 ZINC001577746396 1274823148 /nfs/dbraw/zinc/82/31/48/1274823148.db2.gz YIUWOQYDPHNPIS-CVEARBPZSA-N 0 1 355.442 0.848 20 30 FCEDMN O=C(CC#Cc1ccccc1)N[C@@H]1COC2(CN(Cc3c[nH]nn3)C2)C1 ZINC001577766592 1274850127 /nfs/dbraw/zinc/85/01/27/1274850127.db2.gz VTYOKTKQXNDAHG-INIZCTEOSA-N 0 1 351.410 0.706 20 30 FCEDMN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579092128 1276730449 /nfs/dbraw/zinc/73/04/49/1276730449.db2.gz AYIUYDFXZNTZBV-JTQLQIEISA-N 0 1 371.405 0.974 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579279305 1277093331 /nfs/dbraw/zinc/09/33/31/1277093331.db2.gz ADMJQXJTFGJRLF-GFCCVEGCSA-N 0 1 364.373 0.207 20 30 FCEDMN CNC(=O)[C@@H]1Cc2ccccc2CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579386139 1277267154 /nfs/dbraw/zinc/26/71/54/1277267154.db2.gz AONXCFMHZNRJDT-ZDUSSCGKSA-N 0 1 361.369 0.206 20 30 FCEDMN COC(=O)c1cccc2c1CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 ZINC001579487606 1277397037 /nfs/dbraw/zinc/39/70/37/1277397037.db2.gz MZWKEGSOSDQMCB-UHFFFAOYSA-N 0 1 362.353 0.878 20 30 FCEDMN COCC#CCN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001579617155 1277662586 /nfs/dbraw/zinc/66/25/86/1277662586.db2.gz AOEXUZAALJZSHM-OAHLLOKOSA-N 0 1 371.445 0.675 20 30 FCEDMN COCC#CCN1CCC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579618391 1277665038 /nfs/dbraw/zinc/66/50/38/1277665038.db2.gz JTOBOTALLFJLIZ-UHFFFAOYSA-N 0 1 357.418 0.381 20 30 FCEDMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001579856114 1277938017 /nfs/dbraw/zinc/93/80/17/1277938017.db2.gz QQCRTRDYNZGNAJ-MRCXROJRSA-N 0 1 356.390 0.050 20 30 FCEDMN CS(=O)(=O)Cc1nc(CNc2c(C#N)cccc2-c2nn[nH]n2)n[nH]1 ZINC001580166545 1278023172 /nfs/dbraw/zinc/02/31/72/1278023172.db2.gz YZYIFNMBUTUQIY-UHFFFAOYSA-N 0 1 359.375 0.013 20 30 FCEDMN CC(C)C#CC(=O)N(C)CCOCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001603190073 1287326525 /nfs/dbraw/zinc/32/65/25/1287326525.db2.gz VBPDPOAIFYFLRQ-UHFFFAOYSA-N 0 1 371.445 0.832 20 30 FCEDMN Cc1cc(N2CCO[C@](C)(CNC(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970514 1279171964 /nfs/dbraw/zinc/17/19/64/1279171964.db2.gz DYFSHZNTVJDARI-PIGZYNQJSA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580975344 1279175658 /nfs/dbraw/zinc/17/56/58/1279175658.db2.gz DOQUHFNSMZGBKI-NQBHXWOUSA-N 0 1 354.418 0.918 20 30 FCEDMN Cc1cc(N[C@H](C)CCNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990749 1279192794 /nfs/dbraw/zinc/19/27/94/1279192794.db2.gz HSKHXGKKBBSSRR-SNVBAGLBSA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cc(N[C@@H](C)CCNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990746 1279193528 /nfs/dbraw/zinc/19/35/28/1279193528.db2.gz HSKHXGKKBBSSRR-JTQLQIEISA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995938 1279207903 /nfs/dbraw/zinc/20/79/03/1279207903.db2.gz RWHBDKGXZFEPLG-SNVBAGLBSA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581034732 1279271924 /nfs/dbraw/zinc/27/19/24/1279271924.db2.gz JGLSVMBYHVGLSZ-LERXQTSPSA-N 0 1 354.418 0.991 20 30 FCEDMN Cc1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1C#N ZINC001581197159 1279497711 /nfs/dbraw/zinc/49/77/11/1279497711.db2.gz PKXJHCXQTAAHDR-UHFFFAOYSA-N 0 1 352.362 0.138 20 30 FCEDMN C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001716100368 1287372098 /nfs/dbraw/zinc/37/20/98/1287372098.db2.gz OHJNAULGTALWOC-IJLUTSLNSA-N 0 1 357.252 0.499 20 30 FCEDMN C[C@@H](C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)CSCC#N ZINC001603459266 1287378170 /nfs/dbraw/zinc/37/81/70/1287378170.db2.gz TVOLVHCIUXHRQF-UWVGGRQHSA-N 0 1 361.435 0.031 20 30 FCEDMN C[C@H](C[C@H](C)Nc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001603457623 1287377252 /nfs/dbraw/zinc/37/72/52/1287377252.db2.gz JBTRSURAECCNQU-WDEREUQCSA-N 0 1 365.401 0.892 20 30 FCEDMN N#CC1(C[C@H](O)CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 ZINC001581857270 1280608308 /nfs/dbraw/zinc/60/83/08/1280608308.db2.gz WJHRSHIVNBCUNT-AWEZNQCLSA-N 0 1 354.418 0.438 20 30 FCEDMN N#CCSc1cccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001581858479 1280609262 /nfs/dbraw/zinc/60/92/62/1280609262.db2.gz IARNTTRAEJVTBB-UHFFFAOYSA-N 0 1 355.387 0.504 20 30 FCEDMN N#CCSCC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001581858829 1280611032 /nfs/dbraw/zinc/61/10/32/1280611032.db2.gz XMZYUUSBWABYIR-CYBMUJFWSA-N 0 1 358.431 0.247 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c[nH]1 ZINC001581864944 1280618326 /nfs/dbraw/zinc/61/83/26/1280618326.db2.gz WROPMYKTWZGLEW-NHAGDIPZSA-N 0 1 361.369 0.326 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c[nH]1 ZINC001581865024 1280618838 /nfs/dbraw/zinc/61/88/38/1280618838.db2.gz BCOWDPGCKBRSCT-NSHDSACASA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c[nH]1 ZINC001581865024 1280618841 /nfs/dbraw/zinc/61/88/41/1280618841.db2.gz BCOWDPGCKBRSCT-NSHDSACASA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ncc(N2CC(=O)N(CCC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581881942 1280641697 /nfs/dbraw/zinc/64/16/97/1280641697.db2.gz FVMXICXPKYGZSF-UHFFFAOYSA-N 0 1 353.268 0.087 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581882173 1280643403 /nfs/dbraw/zinc/64/34/03/1280643403.db2.gz NYIQIAUKQWSPSQ-SSDOTTSWSA-N 0 1 367.295 0.033 20 30 FCEDMN N#Cc1ncc(N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)nc1-c1nn[nH]n1 ZINC001581882889 1280644868 /nfs/dbraw/zinc/64/48/68/1280644868.db2.gz KSXJLNUBVYADKB-NWDGAFQWSA-N 0 1 361.369 0.234 20 30 FCEDMN N#Cc1ncc(NCC(=O)N2CCc3ccccc3C2)nc1-c1nn[nH]n1 ZINC001581883269 1280646916 /nfs/dbraw/zinc/64/69/16/1280646916.db2.gz ULXOIYSKKUMCIP-UHFFFAOYSA-N 0 1 361.369 0.525 20 30 FCEDMN N#Cc1ncc(NCc2cccc(N3CCOCC3)n2)nc1-c1nn[nH]n1 ZINC001581884393 1280649510 /nfs/dbraw/zinc/64/95/10/1280649510.db2.gz YCXQWGCXZITZKK-UHFFFAOYSA-N 0 1 364.373 0.372 20 30 FCEDMN N#Cc1ncc(NCCN2C[C@H]3CCCCN3C2=O)nc1-c1nn[nH]n1 ZINC001581884422 1280650255 /nfs/dbraw/zinc/65/02/55/1280650255.db2.gz ZCYFLGLXZCCBCK-SNVBAGLBSA-N 0 1 354.378 0.230 20 30 FCEDMN N#Cc1ncc(NCCc2nc3c(s2)COCC3)nc1-c1nn[nH]n1 ZINC001581884313 1280650774 /nfs/dbraw/zinc/65/07/74/1280650774.db2.gz UQASSJMGJQZMNE-UHFFFAOYSA-N 0 1 355.387 0.712 20 30 FCEDMN C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603921735 1287538632 /nfs/dbraw/zinc/53/86/32/1287538632.db2.gz UWWRYTVNZZTVKQ-DGCLKSJQSA-N 0 1 372.458 0.589 20 30 FCEDMN C[C@H]1CN(c2ccnc(C#N)n2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603941958 1287541531 /nfs/dbraw/zinc/54/15/31/1287541531.db2.gz XAUIVWRAAAQZFA-NSHDSACASA-N 0 1 363.389 0.281 20 30 FCEDMN O=C(CCN=C1NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1nnc[nH]1 ZINC001633549963 1282254568 /nfs/dbraw/zinc/25/45/68/1282254568.db2.gz GMVKZRLQPGHGLV-LBPRGKRZSA-N 0 1 374.426 0.597 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588339302 1282434274 /nfs/dbraw/zinc/43/42/74/1282434274.db2.gz NLKBTAWUBVGFFS-CYBMUJFWSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001588344124 1282440084 /nfs/dbraw/zinc/44/00/84/1282440084.db2.gz DFBCGMMEABXMHT-OLZOCXBDSA-N 0 1 354.418 0.934 20 30 FCEDMN C#CCCCCCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344670 1282440345 /nfs/dbraw/zinc/44/03/45/1282440345.db2.gz ZKLXEUIQFKPGLT-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588357313 1282464512 /nfs/dbraw/zinc/46/45/12/1282464512.db2.gz LCMQJOLOZLVWMM-OLZOCXBDSA-N 0 1 370.417 0.028 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359382 1282475115 /nfs/dbraw/zinc/47/51/15/1282475115.db2.gz MSSGHVGATLPJRT-CQSZACIVSA-N 0 1 369.429 0.647 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001588360462 1282478082 /nfs/dbraw/zinc/47/80/82/1282478082.db2.gz QJILOJURGRQORV-KGLIPLIRSA-N 0 1 369.429 0.433 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362655 1282487879 /nfs/dbraw/zinc/48/78/79/1282487879.db2.gz NWGGEKNMLVSZMB-BETUJISGSA-N 0 1 355.402 0.091 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364383 1282491638 /nfs/dbraw/zinc/49/16/38/1282491638.db2.gz CMKNJUWEHXGJKK-UHFFFAOYSA-N 0 1 362.397 0.846 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001588367845 1282493286 /nfs/dbraw/zinc/49/32/86/1282493286.db2.gz ODIZSMDWTOTEQI-AWEZNQCLSA-N 0 1 360.381 0.647 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001588368734 1282493599 /nfs/dbraw/zinc/49/35/99/1282493599.db2.gz XONONAABJXMIJP-NSHDSACASA-N 0 1 363.385 0.288 20 30 FCEDMN C#Cc1cncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1 ZINC001588379407 1282494910 /nfs/dbraw/zinc/49/49/10/1282494910.db2.gz FWSKINJWWXQJKM-UHFFFAOYSA-N 0 1 351.374 0.370 20 30 FCEDMN C#Cc1cncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1 ZINC001588379407 1282494917 /nfs/dbraw/zinc/49/49/17/1282494917.db2.gz FWSKINJWWXQJKM-UHFFFAOYSA-N 0 1 351.374 0.370 20 30 FCEDMN C=C(Br)CNCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001588392092 1282496970 /nfs/dbraw/zinc/49/69/70/1282496970.db2.gz VNCYGGPFESMGED-UHFFFAOYSA-N 0 1 354.212 0.765 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001588381064 1282497515 /nfs/dbraw/zinc/49/75/15/1282497515.db2.gz SLBYKNOEGSDSOW-GFCCVEGCSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C(C)[C@H](CC(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403248 1282500501 /nfs/dbraw/zinc/50/05/01/1282500501.db2.gz XYKSTOWPGINSBW-RYUDHWBXSA-N 0 1 360.422 0.367 20 30 FCEDMN C=C(C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588416339 1282504320 /nfs/dbraw/zinc/50/43/20/1282504320.db2.gz VCVDPBPMOPZHTB-LLVKDONJSA-N 0 1 350.448 0.851 20 30 FCEDMN C=C1CCC(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588461859 1282511920 /nfs/dbraw/zinc/51/19/20/1282511920.db2.gz VVGHRXUVSKWSMF-AWEZNQCLSA-N 0 1 371.445 0.627 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468525 1282512758 /nfs/dbraw/zinc/51/27/58/1282512758.db2.gz LUSOTROOKXYBHG-RYUDHWBXSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588468682 1282513795 /nfs/dbraw/zinc/51/37/95/1282513795.db2.gz NGPGOBWFVDGKRS-UHFFFAOYSA-N 0 1 374.449 0.780 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588467835 1282514672 /nfs/dbraw/zinc/51/46/72/1282514672.db2.gz DWIQYLHPHOMCFC-VXGBXAGGSA-N 0 1 356.434 0.797 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588492783 1282522800 /nfs/dbraw/zinc/52/28/00/1282522800.db2.gz WORBCWOFCYCGPU-PSTGCABASA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588499512 1282528894 /nfs/dbraw/zinc/52/88/94/1282528894.db2.gz JDJUUNJHHDPPRO-ZBEGNZNMSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588499512 1282528899 /nfs/dbraw/zinc/52/88/99/1282528899.db2.gz JDJUUNJHHDPPRO-ZBEGNZNMSA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588500282 1282530756 /nfs/dbraw/zinc/53/07/56/1282530756.db2.gz UUNWMTHIYIMHQH-FZKQIMNGSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001588501170 1282533264 /nfs/dbraw/zinc/53/32/64/1282533264.db2.gz KOOSYEBYBQLKJR-FHSNZYRGSA-N 0 1 369.429 0.483 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588502002 1282537892 /nfs/dbraw/zinc/53/78/92/1282537892.db2.gz PURRAZRWVICTQR-YVEFUNNKSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588501211 1282537968 /nfs/dbraw/zinc/53/79/68/1282537968.db2.gz LEWGVQBBLFJBSB-PIGZYNQJSA-N 0 1 372.433 0.315 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588503422 1282539879 /nfs/dbraw/zinc/53/98/79/1282539879.db2.gz YIHDRJPRMPWHDK-QZTJIDSGSA-N 0 1 371.445 0.708 20 30 FCEDMN C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588532368 1282562415 /nfs/dbraw/zinc/56/24/15/1282562415.db2.gz TYLNPMNPTVMBET-ZDUSSCGKSA-N 0 1 373.461 0.826 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588538089 1282563595 /nfs/dbraw/zinc/56/35/95/1282563595.db2.gz IDLZQKICJSBDDS-LBPRGKRZSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588608354 1282583829 /nfs/dbraw/zinc/58/38/29/1282583829.db2.gz KKLDNTAUTALCHX-GFCCVEGCSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608712 1282584447 /nfs/dbraw/zinc/58/44/47/1282584447.db2.gz PJEIHXSCAZLMJL-QWHCGFSZSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001588609172 1282587187 /nfs/dbraw/zinc/58/71/87/1282587187.db2.gz KRQJVVRDZNSZHO-KRWDZBQOSA-N 0 1 357.418 0.688 20 30 FCEDMN C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588616057 1282594570 /nfs/dbraw/zinc/59/45/70/1282594570.db2.gz SOFLGDXFWXOODG-XYYAHUGASA-N 0 1 370.417 0.048 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001588658607 1282612878 /nfs/dbraw/zinc/61/28/78/1282612878.db2.gz BYYDSCIPQRMKTI-WCQYABFASA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588672663 1282627986 /nfs/dbraw/zinc/62/79/86/1282627986.db2.gz XZPMAOOGOAULDR-AWEZNQCLSA-N 0 1 360.393 0.899 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001588674447 1282630243 /nfs/dbraw/zinc/63/02/43/1282630243.db2.gz NZKUWBZZENTOBZ-HUUCEWRRSA-N 0 1 369.429 0.726 20 30 FCEDMN C=CCOCCCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588680696 1282637826 /nfs/dbraw/zinc/63/78/26/1282637826.db2.gz AKLJBXOLIZSKJA-CYBMUJFWSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001588680926 1282638726 /nfs/dbraw/zinc/63/87/26/1282638726.db2.gz GXCSVSWESLXMEX-HALDLXJZSA-N 0 1 372.404 0.755 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)[C@@H](C)C1CC1 ZINC001588709982 1282656356 /nfs/dbraw/zinc/65/63/56/1282656356.db2.gz ZKIXKMVSNGRGRY-JTQLQIEISA-N 0 1 355.410 0.519 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@H](C(C)C)C1 ZINC001588709337 1282658071 /nfs/dbraw/zinc/65/80/71/1282658071.db2.gz QWFMOAJGEQVJQU-LBPRGKRZSA-N 0 1 369.437 0.766 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588721211 1282663630 /nfs/dbraw/zinc/66/36/30/1282663630.db2.gz DWBZCTMGXKCMHU-IOASZLSFSA-N 0 1 369.429 0.678 20 30 FCEDMN C=CCn1nnnc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001588717243 1282665270 /nfs/dbraw/zinc/66/52/70/1282665270.db2.gz VQKXJMFFQMLHGN-UHFFFAOYSA-N 0 1 369.393 0.231 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588719096 1282665336 /nfs/dbraw/zinc/66/53/36/1282665336.db2.gz XKGGSLQHXALVEB-CULRUXPZSA-N 0 1 369.429 0.676 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588722829 1282669070 /nfs/dbraw/zinc/66/90/70/1282669070.db2.gz CQPCZCYKLHVAAV-DOMZBBRYSA-N 0 1 369.429 0.644 20 30 FCEDMN CC#CCN1CCC(CCOC)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001588747611 1282685634 /nfs/dbraw/zinc/68/56/34/1282685634.db2.gz NWCDKZSJJDLFFJ-UHFFFAOYSA-N 0 1 371.445 0.819 20 30 FCEDMN CC#CCCCC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588744385 1282685830 /nfs/dbraw/zinc/68/58/30/1282685830.db2.gz YWVSJBCETJIMKU-UHFFFAOYSA-N 0 1 368.445 0.971 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)CCCCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588924592 1282728458 /nfs/dbraw/zinc/72/84/58/1282728458.db2.gz XMNXHVMTHFWZJK-GFCCVEGCSA-N 0 1 357.422 0.669 20 30 FCEDMN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC001640000764 1282830164 /nfs/dbraw/zinc/83/01/64/1282830164.db2.gz HVLHHAAQOAXEIS-CABCVRRESA-N 0 1 364.423 0.558 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001589379771 1282855696 /nfs/dbraw/zinc/85/56/96/1282855696.db2.gz AJEZGGYFAVKQGJ-AWEZNQCLSA-N 0 1 353.430 0.994 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001589380112 1282856721 /nfs/dbraw/zinc/85/67/21/1282856721.db2.gz MRQWLGFHAVXANL-KBPBESRZSA-N 0 1 353.430 0.992 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589384192 1282858021 /nfs/dbraw/zinc/85/80/21/1282858021.db2.gz CDKXEAQZNJSXOS-ZDUSSCGKSA-N 0 1 354.418 0.743 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001589384560 1282860936 /nfs/dbraw/zinc/86/09/36/1282860936.db2.gz JSPADJDRIWDYRT-OKILXGFUSA-N 0 1 351.414 0.816 20 30 FCEDMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC001589753036 1282980057 /nfs/dbraw/zinc/98/00/57/1282980057.db2.gz LHHWBXQTCUSDHV-AAEUAGOBSA-N 0 1 356.390 0.887 20 30 FCEDMN C[C@H](Cc1c(F)cccc1F)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001589891142 1283111251 /nfs/dbraw/zinc/11/12/51/1283111251.db2.gz PTXRLBHFLWVQDH-SECBINFHSA-N 0 1 372.339 0.960 20 30 FCEDMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985218 1283157432 /nfs/dbraw/zinc/15/74/32/1283157432.db2.gz FFTHXUMENHYHJT-TZMCWYRMSA-N 0 1 366.429 0.531 20 30 FCEDMN CC1(CNC(=O)C#CC2CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001590128966 1283232116 /nfs/dbraw/zinc/23/21/16/1283232116.db2.gz FSZNLNSMUPLIPX-UHFFFAOYSA-N 0 1 366.429 0.793 20 30 FCEDMN C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590196452 1283303183 /nfs/dbraw/zinc/30/31/83/1283303183.db2.gz IVQFEOXLBVIFCV-AAEUAGOBSA-N 0 1 352.402 0.544 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590196453 1283304450 /nfs/dbraw/zinc/30/44/50/1283304450.db2.gz IVQFEOXLBVIFCV-DGCLKSJQSA-N 0 1 352.402 0.544 20 30 FCEDMN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001591140502 1284209984 /nfs/dbraw/zinc/20/99/84/1284209984.db2.gz MRICKOKCNGENTM-UHFFFAOYSA-N 0 1 355.383 0.954 20 30 FCEDMN COCC[C@H](NC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC ZINC001591398896 1284537332 /nfs/dbraw/zinc/53/73/32/1284537332.db2.gz MFVQCDVTBNMQCF-KGLIPLIRSA-N 0 1 372.385 0.243 20 30 FCEDMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C#CC(C)C ZINC001591470079 1284644836 /nfs/dbraw/zinc/64/48/36/1284644836.db2.gz ZBBBCGJAPBFMKG-IAGOWNOFSA-N 0 1 368.441 0.842 20 30 FCEDMN CS(=O)(=O)c1cccc(OCCn2cnc(-c3nn[nH]n3)c2C#N)c1 ZINC001591681429 1284823569 /nfs/dbraw/zinc/82/35/69/1284823569.db2.gz KOBSNRJZVYUUND-UHFFFAOYSA-N 0 1 359.371 0.417 20 30 FCEDMN Cc1cc(N[C@H](C)C[C@H](C)NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592035157 1285077482 /nfs/dbraw/zinc/07/74/82/1285077482.db2.gz YHBGXDKIRPFRFA-NEPJUHHUSA-N 0 1 374.474 0.944 20 30 FCEDMN Cc1cc(NC[C@H](C)CNC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592039343 1285081502 /nfs/dbraw/zinc/08/15/02/1285081502.db2.gz SHLKYRLZYGFQNB-JTQLQIEISA-N 0 1 360.447 0.413 20 30 FCEDMN Cc1cc(NC[C@H]2C[C@H](NC(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051912 1285097399 /nfs/dbraw/zinc/09/73/99/1285097399.db2.gz NGNTVZRYYBKCOX-HAQNSBGRSA-N 0 1 372.458 0.556 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCOc1cccc(F)c1 ZINC001592335618 1285244475 /nfs/dbraw/zinc/24/44/75/1285244475.db2.gz WLMDYBMWJJGVDX-UHFFFAOYSA-N 0 1 370.348 0.578 20 30 FCEDMN Cc1nn(CCC#N)c(C)c1OS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001592436673 1285368692 /nfs/dbraw/zinc/36/86/92/1285368692.db2.gz YMMMYCYUKORGGN-UHFFFAOYSA-N 0 1 363.359 0.954 20 30 FCEDMN Cn1cc([C@H]2C[C@@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)cn1 ZINC001592568888 1285483471 /nfs/dbraw/zinc/48/34/71/1285483471.db2.gz CDOUWUFOCLKEHL-CMPLNLGQSA-N 0 1 352.362 0.594 20 30 FCEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC001592671905 1285567093 /nfs/dbraw/zinc/56/70/93/1285567093.db2.gz RQBLFGNYQLQBSK-SCZZXKLOSA-N 0 1 364.316 0.701 20 30 FCEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC001592671907 1285567277 /nfs/dbraw/zinc/56/72/77/1285567277.db2.gz RQBLFGNYQLQBSK-WCBMZHEXSA-N 0 1 364.316 0.701 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592678947 1285575201 /nfs/dbraw/zinc/57/52/01/1285575201.db2.gz ABODNXNSMVQCCN-AWEZNQCLSA-N 0 1 357.443 0.814 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592679381 1285577412 /nfs/dbraw/zinc/57/74/12/1285577412.db2.gz OYWAPCOGZRCDQV-AWEZNQCLSA-N 0 1 357.443 0.814 20 30 FCEDMN N#CCSCC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592680517 1285579332 /nfs/dbraw/zinc/57/93/32/1285579332.db2.gz RBDFHKUJSBYQIC-LLVKDONJSA-N 0 1 358.431 0.201 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCC(c2ccccc2)=N1 ZINC001592681807 1285580837 /nfs/dbraw/zinc/58/08/37/1285580837.db2.gz KBTUWTDMQAFOGU-UHFFFAOYSA-N 0 1 362.357 0.154 20 30 FCEDMN O=C(C#CC1CC1)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592766928 1285689157 /nfs/dbraw/zinc/68/91/57/1285689157.db2.gz WFODCLBZUROCKN-CQSZACIVSA-N 0 1 351.414 0.748 20 30 FCEDMN O=C(NCC#CCO)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593006089 1285888583 /nfs/dbraw/zinc/88/85/83/1285888583.db2.gz YZGNWABLDFGMNL-UHFFFAOYSA-N 0 1 369.429 0.080 20 30 FCEDMN CN1C(=O)CCc2cc(C(=O)Cn3cnc(-c4nn[nH]n4)c3C#N)ccc21 ZINC001609282066 1289042852 /nfs/dbraw/zinc/04/28/52/1289042852.db2.gz BVIMXVKDJGOGKF-UHFFFAOYSA-N 0 1 362.353 0.727 20 30 FCEDMN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600230234 1286455500 /nfs/dbraw/zinc/45/55/00/1286455500.db2.gz DJEGPFFLBMTAHC-GFCCVEGCSA-N 0 1 355.391 0.643 20 30 FCEDMN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600230234 1286455504 /nfs/dbraw/zinc/45/55/04/1286455504.db2.gz DJEGPFFLBMTAHC-GFCCVEGCSA-N 0 1 355.391 0.643 20 30 FCEDMN C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001707169408 1286488786 /nfs/dbraw/zinc/48/87/86/1286488786.db2.gz WUKGWVPRYZHKLC-RISCZKNCSA-N 0 1 355.870 0.859 20 30 FCEDMN Cc1oc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1C(=O)[O-] ZINC001600837787 1286553841 /nfs/dbraw/zinc/55/38/41/1286553841.db2.gz AJLYEPGPRNNMMR-UHFFFAOYSA-N 0 1 354.432 0.807 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602703250 1287066398 /nfs/dbraw/zinc/06/63/98/1287066398.db2.gz MBEZGNLKBAMBQB-OLZOCXBDSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001602703430 1287066504 /nfs/dbraw/zinc/06/65/04/1287066504.db2.gz QHDFADQUNLQVCO-ZIAGYGMSSA-N 0 1 353.430 0.994 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602724810 1287084637 /nfs/dbraw/zinc/08/46/37/1287084637.db2.gz HBARQEXSRNXZCT-CYBMUJFWSA-N 0 1 357.418 0.291 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001602727710 1287094124 /nfs/dbraw/zinc/09/41/24/1287094124.db2.gz ZOCHWDWEMQQUCF-GFCCVEGCSA-N 0 1 355.402 0.173 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001602727744 1287094890 /nfs/dbraw/zinc/09/48/90/1287094890.db2.gz ZVAFKHKURHNMKH-NEPJUHHUSA-N 0 1 372.433 0.060 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001602737457 1287098169 /nfs/dbraw/zinc/09/81/69/1287098169.db2.gz RZFIKFRYNKIEKB-MNOVXSKESA-N 0 1 363.385 0.074 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCCNc2ccncc2-c2nn[nH]n2)cn1 ZINC001602735895 1287099965 /nfs/dbraw/zinc/09/99/65/1287099965.db2.gz VJUSQILYAOOICO-UHFFFAOYSA-N 0 1 362.397 0.634 20 30 FCEDMN C#Cc1ccc(C(=O)NCCN(CC)c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001602739203 1287101576 /nfs/dbraw/zinc/10/15/76/1287101576.db2.gz BIFOJHBINNLADP-UHFFFAOYSA-N 0 1 362.397 0.894 20 30 FCEDMN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001602756269 1287104595 /nfs/dbraw/zinc/10/45/95/1287104595.db2.gz ISQGWEOYZHUIIL-CQSZACIVSA-N 0 1 372.433 0.285 20 30 FCEDMN C=C1CC(C)(C(=O)N(CCO)CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602770542 1287109245 /nfs/dbraw/zinc/10/92/45/1287109245.db2.gz OOZZYGZCFXZGLM-UHFFFAOYSA-N 0 1 371.445 0.581 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001602795900 1287120884 /nfs/dbraw/zinc/12/08/84/1287120884.db2.gz VYOGWUUONZUJRB-QGZVFWFLSA-N 0 1 359.434 0.783 20 30 FCEDMN C=CCC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001602809160 1287122061 /nfs/dbraw/zinc/12/20/61/1287122061.db2.gz RQFHAPPYBFLELN-VXGBXAGGSA-N 0 1 372.433 0.579 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602818028 1287124400 /nfs/dbraw/zinc/12/44/00/1287124400.db2.gz YQQJCICMJGTQGE-CYBMUJFWSA-N 0 1 371.445 0.709 20 30 FCEDMN C=CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001602826377 1287126833 /nfs/dbraw/zinc/12/68/33/1287126833.db2.gz FPFPWVOUVNWOKI-RYUDHWBXSA-N 0 1 354.418 0.884 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602832275 1287129144 /nfs/dbraw/zinc/12/91/44/1287129144.db2.gz NZUNEFGTHQBSOG-CHWSQXEVSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CCC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC001602833109 1287129365 /nfs/dbraw/zinc/12/93/65/1287129365.db2.gz DTQMRYSCJPHKAK-MRVPVSSYSA-N 0 1 350.404 0.746 20 30 FCEDMN C=CCCn1cc(CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)nn1 ZINC001602847622 1287137113 /nfs/dbraw/zinc/13/71/13/1287137113.db2.gz XIIUDMWBQOOBHU-UHFFFAOYSA-N 0 1 366.432 0.574 20 30 FCEDMN C=CCOCC(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602867819 1287141482 /nfs/dbraw/zinc/14/14/82/1287141482.db2.gz AAUPBYGDZXTMBS-CYBMUJFWSA-N 0 1 357.418 0.797 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602867219 1287142006 /nfs/dbraw/zinc/14/20/06/1287142006.db2.gz ZNTMTXYSNLPHDE-UONOGXRCSA-N 0 1 371.445 0.783 20 30 FCEDMN C=CCOCC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001602868013 1287142237 /nfs/dbraw/zinc/14/22/37/1287142237.db2.gz HKCYXJHKJQWHKE-CHWSQXEVSA-N 0 1 372.433 0.438 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602867886 1287142474 /nfs/dbraw/zinc/14/24/74/1287142474.db2.gz BHDJFMPYBNMMQO-VXGBXAGGSA-N 0 1 358.406 0.333 20 30 FCEDMN C=CCOCC(=O)N1CCCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602867898 1287142858 /nfs/dbraw/zinc/14/28/58/1287142858.db2.gz CBUWFXCJIJGPNR-CQSZACIVSA-N 0 1 371.445 0.988 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001602868954 1287143659 /nfs/dbraw/zinc/14/36/59/1287143659.db2.gz ZHIIWYIJAGPRCH-QWHCGFSZSA-N 0 1 370.417 0.429 20 30 FCEDMN C=CCOCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602871901 1287145987 /nfs/dbraw/zinc/14/59/87/1287145987.db2.gz TYTXTDCTWFVZLZ-JOCQHMNTSA-N 0 1 357.418 0.501 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602891848 1287149567 /nfs/dbraw/zinc/14/95/67/1287149567.db2.gz JVBOXBZXCZSGIG-KBPBESRZSA-N 0 1 368.445 0.921 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001602983685 1287174349 /nfs/dbraw/zinc/17/43/49/1287174349.db2.gz LXBGRFMCWRDGFG-IAQYHMDHSA-N 0 1 354.418 0.930 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603051580 1287198140 /nfs/dbraw/zinc/19/81/40/1287198140.db2.gz PUKFGJYEMZLHQI-CHWSQXEVSA-N 0 1 368.445 0.967 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)n2C)c1-c1nnn[n-]1 ZINC001604891921 1287808544 /nfs/dbraw/zinc/80/85/44/1287808544.db2.gz BAMMBADKYYZUMK-UHFFFAOYSA-N 0 1 354.378 0.204 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C#N)n2C)c1-c1nn[n-]n1 ZINC001604891921 1287808547 /nfs/dbraw/zinc/80/85/47/1287808547.db2.gz BAMMBADKYYZUMK-UHFFFAOYSA-N 0 1 354.378 0.204 20 30 FCEDMN COc1cc(NC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)cc(OC)c1 ZINC001605228838 1287913256 /nfs/dbraw/zinc/91/32/56/1287913256.db2.gz 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CC#CCN[C@@H]1CN(C(=O)CCc2cncc(OC)c2)C[C@@H]1n1ccnn1 ZINC001129928704 1201445706 /nfs/dbraw/zinc/44/57/06/1201445706.db2.gz HDASBMGCCTYSTD-MSOLQXFVSA-N 0 1 368.441 0.679 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@@H]1n1ccnn1 ZINC001129952092 1201447463 /nfs/dbraw/zinc/44/74/63/1201447463.db2.gz HNYUMHGAUXIVEU-CEXWTWQISA-N 0 1 365.437 0.957 20 30 FCEDMN CCCc1cc(C(=O)N2C[C@@H](NCC#CCOC)[C@@H](n3ccnn3)C2)[nH]n1 ZINC001129952115 1201448130 /nfs/dbraw/zinc/44/81/30/1201448130.db2.gz IMSMFEJLVFXSMS-SJORKVTESA-N 0 1 371.445 0.259 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1n1ccnn1 ZINC001129956309 1201449557 /nfs/dbraw/zinc/44/95/57/1201449557.db2.gz CKZZEGTVCPUHAD-CVEARBPZSA-N 0 1 364.413 0.238 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129957313 1201450611 /nfs/dbraw/zinc/45/06/11/1201450611.db2.gz YYZMREBXQMVCSL-CABCVRRESA-N 0 1 362.478 0.700 20 30 FCEDMN 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353.386 0.386 20 30 FCEDMN N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C3)c1 ZINC001096566217 1218512058 /nfs/dbraw/zinc/51/20/58/1218512058.db2.gz UNWVBLORROMLBF-QZWWFDLISA-N 0 1 374.466 0.471 20 30 FCEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001049725143 1218535113 /nfs/dbraw/zinc/53/51/13/1218535113.db2.gz VHKBRIMTRLJXEJ-TVFCKZIOSA-N 0 1 359.470 0.855 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C)on1 ZINC001226187589 1225835619 /nfs/dbraw/zinc/83/56/19/1225835619.db2.gz MFIGMDVYPHCFQY-RRFJBIMHSA-N 0 1 362.430 0.977 20 30 FCEDMN N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2=O)C3)c1 ZINC001097227965 1218728433 /nfs/dbraw/zinc/72/84/33/1218728433.db2.gz XPRLURNLXBBEKH-KURKYZTESA-N 0 1 368.437 0.639 20 30 FCEDMN C#CCN1CCN(C(=O)CN2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000748818883 1218826098 /nfs/dbraw/zinc/82/60/98/1218826098.db2.gz ZZRBEEJFXJYRRY-LJQANCHMSA-N 0 1 354.498 0.970 20 30 FCEDMN C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[n-]ncc1C(F)(F)F ZINC001226704726 1225852395 /nfs/dbraw/zinc/85/23/95/1225852395.db2.gz SJLGKWNPHXKYNR-VXGBXAGGSA-N 0 1 371.363 0.809 20 30 FCEDMN C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1CCNc1cnc(C#N)cn1 ZINC001053341656 1218880518 /nfs/dbraw/zinc/88/05/18/1218880518.db2.gz MZRZAYDTZVSJDR-CHWSQXEVSA-N 0 1 354.418 0.996 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(C)n3)C2)C1 ZINC001053954305 1218897860 /nfs/dbraw/zinc/89/78/60/1218897860.db2.gz NHLUBVYVQVZACX-YCPHGPKFSA-N 0 1 361.446 0.554 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054404805 1218917101 /nfs/dbraw/zinc/91/71/01/1218917101.db2.gz LURXSUNYUNGWFV-DGCLKSJQSA-N 0 1 362.397 0.862 20 30 FCEDMN N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C3)c1 ZINC001097943076 1218929105 /nfs/dbraw/zinc/92/91/05/1218929105.db2.gz UFFPBNAMBPLVJF-WCVJEAGWSA-N 0 1 367.409 0.378 20 30 FCEDMN Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)C3=NC(=O)N(C)C3)C[C@H]2C)n1 ZINC001054553693 1218939892 /nfs/dbraw/zinc/93/98/92/1218939892.db2.gz MNKQCGIOAPMUPX-ZYHUDNBSSA-N 0 1 355.402 0.916 20 30 FCEDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054674695 1218946142 /nfs/dbraw/zinc/94/61/42/1218946142.db2.gz DGFAGHLAVICWNL-AAVRWANBSA-N 0 1 351.414 0.803 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 ZINC001055538905 1219072029 /nfs/dbraw/zinc/07/20/29/1219072029.db2.gz IGIQZUOXEVLCKL-OIISXLGYSA-N 0 1 365.474 0.311 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)c2ncc[nH]2)CC1 ZINC001055574286 1219083402 /nfs/dbraw/zinc/08/34/02/1219083402.db2.gz YPMHIVOYPPHAHD-CABCVRRESA-N 0 1 361.446 0.311 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN1CCC(NC(=O)COCC)CC1 ZINC001055583633 1219088322 /nfs/dbraw/zinc/08/83/22/1219088322.db2.gz WBCUHPDMUXCGGW-SJORKVTESA-N 0 1 367.490 0.701 20 30 FCEDMN C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001055604467 1219096449 /nfs/dbraw/zinc/09/64/49/1219096449.db2.gz NNACNSXSMMTHBD-JOWCLZMLSA-N 0 1 360.458 0.266 20 30 FCEDMN Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3ccnc(C#N)n3)C2)n[nH]1 ZINC001055607504 1219097235 /nfs/dbraw/zinc/09/72/35/1219097235.db2.gz SHPUDIGBXNAXHR-MWLCHTKSSA-N 0 1 365.319 0.917 20 30 FCEDMN C=C(C)C(C)(C)C(=O)NCCN1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001055608077 1219097266 /nfs/dbraw/zinc/09/72/66/1219097266.db2.gz MKDYBFLCJSUBIA-CABCVRRESA-N 0 1 364.490 0.407 20 30 FCEDMN CC[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055611940 1219098882 /nfs/dbraw/zinc/09/88/82/1219098882.db2.gz RAVSFTSHDABHAW-MSOLQXFVSA-N 0 1 361.486 0.912 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070077398 1219145426 /nfs/dbraw/zinc/14/54/26/1219145426.db2.gz DSUVHNMCWWHQTA-MSOLQXFVSA-N 0 1 369.473 0.719 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070098847 1219171161 /nfs/dbraw/zinc/17/11/61/1219171161.db2.gz VXOYTDNNEFBGJA-CABCVRRESA-N 0 1 355.402 0.003 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)[C@@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070101542 1219175696 /nfs/dbraw/zinc/17/56/96/1219175696.db2.gz GOPFWWSGIRKHBZ-OAGGEKHMSA-N 0 1 360.462 0.597 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070106146 1219181623 /nfs/dbraw/zinc/18/16/23/1219181623.db2.gz ZVNFGFLCYZODGO-BBWFWOEESA-N 0 1 355.446 0.717 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cnc(OCC)cn2)[C@@H](n2ccnn2)C1 ZINC001070109202 1219182765 /nfs/dbraw/zinc/18/27/65/1219182765.db2.gz KWRWJTUFVGWOBE-CABCVRRESA-N 0 1 357.418 0.698 20 30 FCEDMN N#Cc1cccc(CN[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2n2ccnn2)c1 ZINC001070158893 1219246820 /nfs/dbraw/zinc/24/68/20/1219246820.db2.gz WRWOVGZJGWLYRW-KURKYZTESA-N 0 1 366.425 0.728 20 30 FCEDMN C[C@@H](C#N)C(=O)N1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070159976 1219248940 /nfs/dbraw/zinc/24/89/40/1219248940.db2.gz YHUKQCVKRYSRMY-XQQFMLRXSA-N 0 1 371.449 0.395 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@@H](NCc2cnn(C(C)(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070161024 1219250660 /nfs/dbraw/zinc/25/06/60/1219250660.db2.gz QRRMTQRLBCDWTC-BMFZPTHFSA-N 0 1 370.461 0.931 20 30 FCEDMN N#Cc1ccc(CN[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2n2ccnn2)cc1 ZINC001070190582 1219282044 /nfs/dbraw/zinc/28/20/44/1219282044.db2.gz HQFCBMNRBGSJFG-CVEARBPZSA-N 0 1 362.397 0.728 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070193805 1219285780 /nfs/dbraw/zinc/28/57/80/1219285780.db2.gz RLVCJWJYDHBJCH-SJORKVTESA-N 0 1 364.413 0.295 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nc2C)C[C@@H]1n1ccnn1 ZINC001070194658 1219286360 /nfs/dbraw/zinc/28/63/60/1219286360.db2.gz HLTRGTXLLBHZGQ-OIISXLGYSA-N 0 1 369.429 0.033 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070194999 1219287056 /nfs/dbraw/zinc/28/70/56/1219287056.db2.gz ZGFREXXJJOKEPT-WBVHZDCISA-N 0 1 353.430 0.563 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070197917 1219287686 /nfs/dbraw/zinc/28/76/86/1219287686.db2.gz BAWCBJFQHBJAQW-CVEARBPZSA-N 0 1 353.430 0.028 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cnn3c2cccc3OC)C[C@@H]1n1ccnn1 ZINC001070203039 1219291157 /nfs/dbraw/zinc/29/11/57/1219291157.db2.gz BLRFDZIEKNDXIF-ZBFHGGJFSA-N 0 1 365.397 0.223 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccccc2-c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001070206718 1219292895 /nfs/dbraw/zinc/29/28/95/1219292895.db2.gz PTTZQEMLWHONPO-MSOLQXFVSA-N 0 1 361.409 0.957 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cc(OC)ccc32)C[C@@H]1n1ccnn1 ZINC001070206626 1219293035 /nfs/dbraw/zinc/29/30/35/1219293035.db2.gz LYHXDMLZVMVHTM-QRVBRYPASA-N 0 1 365.437 0.991 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)C[C@@H]1n1ccnn1 ZINC001070228381 1219307827 /nfs/dbraw/zinc/30/78/27/1219307827.db2.gz XVCPRLLGVGAKQH-SJORKVTESA-N 0 1 353.426 0.813 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@@H]1n1ccnn1 ZINC001070229442 1219308309 /nfs/dbraw/zinc/30/83/09/1219308309.db2.gz SHRUVNCWXCVGJH-BBWFWOEESA-N 0 1 351.410 0.504 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ncn2)C[C@@H]1n1ccnn1 ZINC001070231747 1219309114 /nfs/dbraw/zinc/30/91/14/1219309114.db2.gz KAIQCUIREGPRJI-NEPJUHHUSA-N 0 1 365.319 0.375 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1 ZINC001070259621 1219329212 /nfs/dbraw/zinc/32/92/12/1219329212.db2.gz XTYZRGSTDWVODB-XYPHTWIQSA-N 0 1 353.430 0.106 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070267839 1219335866 /nfs/dbraw/zinc/33/58/66/1219335866.db2.gz SLZCTJDOEJCKQC-BFQNTYOBSA-N 0 1 360.422 0.246 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2c(F)cc(OC)cc2F)C[C@@H]1n1ccnn1 ZINC001070280114 1219346122 /nfs/dbraw/zinc/34/61/22/1219346122.db2.gz 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ZINC001575228755 1271835061 /nfs/dbraw/zinc/83/50/61/1271835061.db2.gz XSNRZWYJTIJTKZ-VNHYZAJKSA-N 0 1 360.462 0.295 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575246638 1271851256 /nfs/dbraw/zinc/85/12/56/1271851256.db2.gz OLKRCPVDVUFTLH-ZDUSSCGKSA-N 0 1 370.413 0.123 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1cn[nH]n1 ZINC001575317561 1271915666 /nfs/dbraw/zinc/91/56/66/1271915666.db2.gz AGSSGKPDIBYJSG-GOEBONIOSA-N 0 1 360.462 0.392 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1CCCCCN1CC(=O)NCc1c[nH]nn1 ZINC001575319001 1271921837 /nfs/dbraw/zinc/92/18/37/1271921837.db2.gz VGQMOPWJMRRURT-MRXNPFEDSA-N 0 1 360.462 0.441 20 30 FCEDMN CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575318996 1271922698 /nfs/dbraw/zinc/92/26/98/1271922698.db2.gz VEBFINSLWRDCBJ-GOEBONIOSA-N 0 1 361.446 0.819 20 30 FCEDMN C[C@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)Nc1ncc(C#N)cc1F ZINC001575594737 1272223827 /nfs/dbraw/zinc/22/38/27/1272223827.db2.gz LBQPGZMVSLPBNZ-ABAIWWIYSA-N 0 1 372.408 0.792 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001575740740 1272410762 /nfs/dbraw/zinc/41/07/62/1272410762.db2.gz GASHHAXGPXIKLJ-RDJZCZTQSA-N 0 1 353.426 0.952 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001575824307 1272484101 /nfs/dbraw/zinc/48/41/01/1272484101.db2.gz ZSWZRMRTJSBLJI-KBPBESRZSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575851673 1272524816 /nfs/dbraw/zinc/52/48/16/1272524816.db2.gz CZGBJFOKXGTELU-MEBBXXQBSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575851672 1272524893 /nfs/dbraw/zinc/52/48/93/1272524893.db2.gz CZGBJFOKXGTELU-BONVTDFDSA-N 0 1 371.401 0.234 20 30 FCEDMN CC(C)[C@@H](CNC(=O)[C@H](C)OCc1c[nH]nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001575851745 1272525015 /nfs/dbraw/zinc/52/50/15/1272525015.db2.gz DRCBYSNMAHOJMB-XHDPSFHLSA-N 0 1 373.417 0.480 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H](Nc1cncc(C#N)n1)C1CC1 ZINC001575855968 1272528798 /nfs/dbraw/zinc/52/87/98/1272528798.db2.gz XOANOBVPJDYLAJ-HZMBPMFUSA-N 0 1 356.390 0.378 20 30 FCEDMN C[C@H]1[C@H](NC(=O)CCOCc2c[nH]nn2)CCCN1C(=O)C#CC1CC1 ZINC001576018519 1272718180 /nfs/dbraw/zinc/71/81/80/1272718180.db2.gz BCYTYIYMHZFMLV-XJKSGUPXSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)CSCC#N)CN1C(=O)CCCCc1cn[nH]n1 ZINC001576048898 1272776817 /nfs/dbraw/zinc/77/68/17/1272776817.db2.gz YPDQEXVESOJRIU-OCCSQVGLSA-N 0 1 364.475 0.880 20 30 FCEDMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576053094 1272783904 /nfs/dbraw/zinc/78/39/04/1272783904.db2.gz PXLNYKALLSJMHM-CMPLNLGQSA-N 0 1 363.385 0.598 20 30 FCEDMN CC[C@H](CNC(=O)C#CC1CC1)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001576237459 1273007938 /nfs/dbraw/zinc/00/79/38/1273007938.db2.gz WFVTVRWLRMCEOX-MRXNPFEDSA-N 0 1 372.473 0.441 20 30 FCEDMN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001576283161 1273088949 /nfs/dbraw/zinc/08/89/49/1273088949.db2.gz VXJZQEZKUBUEKB-JTQLQIEISA-N 0 1 371.405 0.974 20 30 FCEDMN CCn1cc(CN2CCC(N(Cc3c[nH]nn3)C(=O)[C@H](C)C#N)CC2)nn1 ZINC001576691955 1273559827 /nfs/dbraw/zinc/55/98/27/1273559827.db2.gz LPOJLQIZOVAAOD-CYBMUJFWSA-N 0 1 371.449 0.569 20 30 FCEDMN CN(CCCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1ccc(C#N)nc1 ZINC001576804709 1273711443 /nfs/dbraw/zinc/71/14/43/1273711443.db2.gz RYBBJBORHZSTLF-KRWDZBQOSA-N 0 1 368.445 0.678 20 30 FCEDMN CO[C@@H](C(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1)c1cnn(C)c1 ZINC001576922980 1273943872 /nfs/dbraw/zinc/94/38/72/1273943872.db2.gz ZSUAWCLUGXKBGH-MRXNPFEDSA-N 0 1 372.433 0.242 20 30 FCEDMN COCC#CCN1CC([C@H](C)NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001576954029 1273975444 /nfs/dbraw/zinc/97/54/44/1273975444.db2.gz VIAXRBCOTAIWFX-ZDUSSCGKSA-N 0 1 354.414 0.567 20 30 FCEDMN Cc1cc(C#N)nc(NC[C@@H]2CCCN2C(=O)[C@@H](C)OCc2c[nH]nn2)n1 ZINC001577256071 1274283861 /nfs/dbraw/zinc/28/38/61/1274283861.db2.gz FGWBIUUCDQHPCI-DOMZBBRYSA-N 0 1 370.417 0.783 20 30 FCEDMN Cc1cc(N(C)C[C@H](C)NC(=O)[C@H](C)OCc2c[nH]nn2)c(C#N)cn1 ZINC001577338579 1274347337 /nfs/dbraw/zinc/34/73/37/1274347337.db2.gz LLNFCQFFWBHOCX-STQMWFEESA-N 0 1 357.418 0.926 20 30 FCEDMN N#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(OCc4c[nH]nn4)cc3)[C@@H]2C1 ZINC001577706343 1274766762 /nfs/dbraw/zinc/76/67/62/1274766762.db2.gz DKAJVZFEUNWXHN-OSYLJGHBSA-N 0 1 352.398 0.815 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c[nH]1 ZINC001577712352 1274770936 /nfs/dbraw/zinc/77/09/36/1274770936.db2.gz JUVVTFLQCFEHFJ-ZDUSSCGKSA-N 0 1 371.401 0.332 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)c[nH]1 ZINC001577712121 1274771247 /nfs/dbraw/zinc/77/12/47/1274771247.db2.gz AXLMWZCINQXGDT-ZDUSSCGKSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)c[nH]1 ZINC001577712121 1274771250 /nfs/dbraw/zinc/77/12/50/1274771250.db2.gz AXLMWZCINQXGDT-ZDUSSCGKSA-N 0 1 369.429 0.996 20 30 FCEDMN N#CCNC[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)CC[C@@H]1C(F)(F)F ZINC001577710299 1274771873 /nfs/dbraw/zinc/77/18/73/1274771873.db2.gz WKLBIUGQOPAGCL-YPMHNXCESA-N 0 1 374.367 0.852 20 30 FCEDMN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](CO)c1c[nH]nn1 ZINC001577710287 1274772062 /nfs/dbraw/zinc/77/20/62/1274772062.db2.gz WDANCUGCDYNOPO-NSHDSACASA-N 0 1 366.175 0.667 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)CCCc3c[nH]nn3)C2)c1 ZINC001577712239 1274772349 /nfs/dbraw/zinc/77/23/49/1274772349.db2.gz GAQLUIDWOJZEGC-YEORSEQZSA-N 0 1 355.402 0.652 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)CCCc3cnn[nH]3)C2)c1 ZINC001577712239 1274772357 /nfs/dbraw/zinc/77/23/57/1274772357.db2.gz GAQLUIDWOJZEGC-YEORSEQZSA-N 0 1 355.402 0.652 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)[nH]1 ZINC001577712538 1274773461 /nfs/dbraw/zinc/77/34/61/1274773461.db2.gz QECSOYYAWRYFCN-ZDUSSCGKSA-N 0 1 371.401 0.332 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)[nH]1 ZINC001577712537 1274775045 /nfs/dbraw/zinc/77/50/45/1274775045.db2.gz QECSOYYAWRYFCN-CYBMUJFWSA-N 0 1 371.401 0.332 20 30 FCEDMN N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)CCOCc1c[nH]nn1 ZINC001577717303 1274776701 /nfs/dbraw/zinc/77/67/01/1274776701.db2.gz AEKYYJGQHVUDRN-OAHLLOKOSA-N 0 1 355.402 0.763 20 30 FCEDMN N#Cc1cnc(NC[C@@H]2CCCN2C(=O)CCOCc2c[nH]nn2)cn1 ZINC001577718904 1274781568 /nfs/dbraw/zinc/78/15/68/1274781568.db2.gz ALYOAUWAOFXYGD-AWEZNQCLSA-N 0 1 356.390 0.476 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](CNC(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001577743549 1274820738 /nfs/dbraw/zinc/82/07/38/1274820738.db2.gz ZQFMLZRPIXGYSX-OAHLLOKOSA-N 0 1 355.442 0.896 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](CNC(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001577743549 1274820744 /nfs/dbraw/zinc/82/07/44/1274820744.db2.gz ZQFMLZRPIXGYSX-OAHLLOKOSA-N 0 1 355.442 0.896 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001578015249 1275282999 /nfs/dbraw/zinc/28/29/99/1275282999.db2.gz JVDXYGXDXJFUFA-CQSZACIVSA-N 0 1 350.382 0.611 20 30 FCEDMN CCO[C@@H]1C[C@@H](O)C12CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 ZINC001578335505 1275685311 /nfs/dbraw/zinc/68/53/11/1275685311.db2.gz RNPSEJQQDWXUPJ-VXGBXAGGSA-N 0 1 356.390 0.285 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)N[C@H]2CNC[C@H]2C#N)C1)C(=O)OC(C)(C)C ZINC001578454174 1275852901 /nfs/dbraw/zinc/85/29/01/1275852901.db2.gz VAOMDWAOBHVJIE-MJBXVCDLSA-N 0 1 351.451 0.996 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)N[C@@H]2CNC[C@H]2C#N)C1)C(=O)OC(C)(C)C ZINC001578454171 1275852936 /nfs/dbraw/zinc/85/29/36/1275852936.db2.gz VAOMDWAOBHVJIE-BFHYXJOUSA-N 0 1 351.451 0.996 20 30 FCEDMN CN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)Cc1ccc(C#N)cc1 ZINC001579197325 1276974035 /nfs/dbraw/zinc/97/40/35/1276974035.db2.gz JXKSDRIROHOWCL-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN CN(Cc1ccc([S@@](C)=O)cc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579253484 1277051253 /nfs/dbraw/zinc/05/12/53/1277051253.db2.gz PYWFYTFAEUJLRL-RUZDIDTESA-N 0 1 354.399 0.902 20 30 FCEDMN C[N@H+]1C[C@@]23CN(c4cnc(C#N)c(-c5nnn[n-]5)n4)C[C@]2(C1)CCCC3 ZINC001579322744 1277138332 /nfs/dbraw/zinc/13/83/32/1277138332.db2.gz GLXWPBQDLIBCCG-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN C[N@@H+]1C[C@@]23CN(c4cnc(C#N)c(-c5nn[n-]n5)n4)C[C@]2(C1)CCCC3 ZINC001579322744 1277138335 /nfs/dbraw/zinc/13/83/35/1277138335.db2.gz GLXWPBQDLIBCCG-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN C[N@H+]1C[C@@]23CN(c4cnc(C#N)c(-c5nn[n-]n5)n4)C[C@]2(C1)CCCC3 ZINC001579322744 1277138336 /nfs/dbraw/zinc/13/83/36/1277138336.db2.gz GLXWPBQDLIBCCG-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579433675 1277300369 /nfs/dbraw/zinc/30/03/69/1277300369.db2.gz MIOCCDRZTRQDAO-ZJUUUORDSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579433795 1277304768 /nfs/dbraw/zinc/30/47/68/1277304768.db2.gz PFVKNELBRKGKHF-ZJUUUORDSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)c1ccc(OCCNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001579484672 1277393731 /nfs/dbraw/zinc/39/37/31/1277393731.db2.gz ICNGDDLOCXTECG-UHFFFAOYSA-N 0 1 366.341 0.806 20 30 FCEDMN C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001580252077 1278053654 /nfs/dbraw/zinc/05/36/54/1278053654.db2.gz ZOAWFAHJYPHVSU-JTQLQIEISA-N 0 1 351.374 0.504 20 30 FCEDMN Cc1cc(N(C)[C@H]2CCN(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943112 1279151607 /nfs/dbraw/zinc/15/16/07/1279151607.db2.gz YFCQHUMERMLCKI-LBPRGKRZSA-N 0 1 372.458 0.864 20 30 FCEDMN Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580989568 1279189686 /nfs/dbraw/zinc/18/96/86/1279189686.db2.gz ONICBEIWLYIVCJ-WDEREUQCSA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995285 1279205690 /nfs/dbraw/zinc/20/56/90/1279205690.db2.gz DQOKBNAAILAPAG-JTQLQIEISA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1cc(NC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000474 1279215335 /nfs/dbraw/zinc/21/53/35/1279215335.db2.gz AFDKDPYMXZPFNB-UHFFFAOYSA-N 0 1 363.385 0.566 20 30 FCEDMN Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581036381 1279273120 /nfs/dbraw/zinc/27/31/20/1279273120.db2.gz RERNZGDIZSSFQT-KGYLQXTDSA-N 0 1 354.418 0.849 20 30 FCEDMN Cc1ccc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2=O)cc1 ZINC001581207949 1279504264 /nfs/dbraw/zinc/50/42/64/1279504264.db2.gz DATWANAVAHYBLW-UHFFFAOYSA-N 0 1 361.369 0.690 20 30 FCEDMN Cc1cccc(C)c1OC[C@H](O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001581234928 1279522077 /nfs/dbraw/zinc/52/20/77/1279522077.db2.gz MGEWIVRJLKBRLU-GFCCVEGCSA-N 0 1 366.385 0.997 20 30 FCEDMN C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001603483923 1287388249 /nfs/dbraw/zinc/38/82/49/1287388249.db2.gz ZOAWFAHJYPHVSU-SNVBAGLBSA-N 0 1 351.374 0.504 20 30 FCEDMN Cn1nccc1[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 ZINC001581838665 1280592203 /nfs/dbraw/zinc/59/22/03/1280592203.db2.gz ZXVFIZGNOOTQLT-JOYOIKCWSA-N 0 1 352.362 0.594 20 30 FCEDMN N#Cc1nc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[n-]c1-c1nn[nH]n1 ZINC001581860225 1280612310 /nfs/dbraw/zinc/61/23/10/1280612310.db2.gz PVHCMCPHOVBMGV-GFCCVEGCSA-N 0 1 363.385 0.922 20 30 FCEDMN N#Cc1[n-]c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581860225 1280612320 /nfs/dbraw/zinc/61/23/20/1280612320.db2.gz PVHCMCPHOVBMGV-GFCCVEGCSA-N 0 1 363.385 0.922 20 30 FCEDMN N#Cc1[n-]c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581860225 1280612334 /nfs/dbraw/zinc/61/23/34/1280612334.db2.gz PVHCMCPHOVBMGV-GFCCVEGCSA-N 0 1 363.385 0.922 20 30 FCEDMN N#Cc1nc(N2CCC([NH2+]C3CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878747 1280635813 /nfs/dbraw/zinc/63/58/13/1280635813.db2.gz ZQDVTIZJEXDBAE-UHFFFAOYSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1nc(N2CCC([NH2+]C3CCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878747 1280635815 /nfs/dbraw/zinc/63/58/15/1280635815.db2.gz ZQDVTIZJEXDBAE-UHFFFAOYSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1csc(CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)n1 ZINC001581878685 1280636012 /nfs/dbraw/zinc/63/60/12/1280636012.db2.gz XJUOTZSRFKWBAR-UHFFFAOYSA-N 0 1 353.414 0.735 20 30 FCEDMN N#Cc1nc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cnc1-c1nnn[n-]1 ZINC001581879701 1280636938 /nfs/dbraw/zinc/63/69/38/1280636938.db2.gz UVSBCJIMFBVZQF-ZDUSSCGKSA-N 0 1 365.376 0.688 20 30 FCEDMN N#Cc1nc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cnc1-c1nn[n-]n1 ZINC001581879701 1280636949 /nfs/dbraw/zinc/63/69/49/1280636949.db2.gz UVSBCJIMFBVZQF-ZDUSSCGKSA-N 0 1 365.376 0.688 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(C3CCCCC3)C2=O)nc1-c1nn[nH]n1 ZINC001581882479 1280643064 /nfs/dbraw/zinc/64/30/64/1280643064.db2.gz AHMKUEBEFDDTAA-LLVKDONJSA-N 0 1 353.390 0.874 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(C3CCCCC3)C2=O)nc1-c1nn[nH]n1 ZINC001581882480 1280643579 /nfs/dbraw/zinc/64/35/79/1280643579.db2.gz AHMKUEBEFDDTAA-NSHDSACASA-N 0 1 353.390 0.874 20 30 FCEDMN N#Cc1ncc(N2CCN(c3ccc(F)cn3)CC2)nc1-c1nn[nH]n1 ZINC001581882417 1280645166 /nfs/dbraw/zinc/64/51/66/1280645166.db2.gz XYMUSYOPCNHYRW-UHFFFAOYSA-N 0 1 352.337 0.389 20 30 FCEDMN N#Cc1ncc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nc1-c1nn[nH]n1 ZINC001581883132 1280647020 /nfs/dbraw/zinc/64/70/20/1280647020.db2.gz OZUWLPHXYYZVCE-SNVBAGLBSA-N 0 1 367.348 0.424 20 30 FCEDMN N#Cc1ncc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)nc1-c1nn[nH]n1 ZINC001581883400 1280647065 /nfs/dbraw/zinc/64/70/65/1280647065.db2.gz YKLSFYWUYMWMFI-ZYHUDNBSSA-N 0 1 368.357 0.450 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(CC(F)(F)F)C2=O)nc1-c1nn[nH]n1 ZINC001581883200 1280648276 /nfs/dbraw/zinc/64/82/76/1280648276.db2.gz REKOZMDQWDCBGH-ZCFIWIBFSA-N 0 1 353.268 0.103 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581912800 1280716217 /nfs/dbraw/zinc/71/62/17/1280716217.db2.gz ZICHJIOGFHQORB-UONOGXRCSA-N 0 1 351.414 0.794 20 30 FCEDMN O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001581912720 1280716326 /nfs/dbraw/zinc/71/63/26/1280716326.db2.gz VZSSTHSCSFNYIG-ACJLOTCBSA-N 0 1 364.413 0.688 20 30 FCEDMN C#CC[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588334025 1282427711 /nfs/dbraw/zinc/42/77/11/1282427711.db2.gz LWQXENZHKBLLGM-CYBMUJFWSA-N 0 1 351.374 0.522 20 30 FCEDMN C#CCCCC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588336874 1282429822 /nfs/dbraw/zinc/42/98/22/1282429822.db2.gz VOSVHHGYFXGQAH-UHFFFAOYSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001588337556 1282430473 /nfs/dbraw/zinc/43/04/73/1282430473.db2.gz RXWGOMRLWRZRQZ-SNVBAGLBSA-N 0 1 362.371 0.809 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588338467 1282430569 /nfs/dbraw/zinc/43/05/69/1282430569.db2.gz LOEUVGALCXGDHT-QWHCGFSZSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588339326 1282434951 /nfs/dbraw/zinc/43/49/51/1282434951.db2.gz XOPKAIANRVVNAW-UHFFFAOYSA-N 0 1 354.418 0.723 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588341459 1282435854 /nfs/dbraw/zinc/43/58/54/1282435854.db2.gz IJQJXOAZXYBTGC-GOSISDBHSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCN(CC#C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CC(C)C ZINC001588349914 1282445038 /nfs/dbraw/zinc/44/50/38/1282445038.db2.gz RKFOMJMHGPDMMD-UHFFFAOYSA-N 0 1 350.390 0.577 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588354985 1282451125 /nfs/dbraw/zinc/45/11/25/1282451125.db2.gz CVIZFURGBCATMA-QWHCGFSZSA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588354983 1282451292 /nfs/dbraw/zinc/45/12/92/1282451292.db2.gz CVIZFURGBCATMA-OLZOCXBDSA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588356493 1282460805 /nfs/dbraw/zinc/46/08/05/1282460805.db2.gz CHEYKZFFAFHTMB-WCQYABFASA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588357189 1282462841 /nfs/dbraw/zinc/46/28/41/1282462841.db2.gz IXUORJQEPJBROO-QWHCGFSZSA-N 0 1 357.418 0.289 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1 ZINC001588356833 1282463413 /nfs/dbraw/zinc/46/34/13/1282463413.db2.gz GOBORYFMDDURMU-GDBMZVCRSA-N 0 1 368.441 0.938 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588357187 1282463759 /nfs/dbraw/zinc/46/37/59/1282463759.db2.gz IXUORJQEPJBROO-OLZOCXBDSA-N 0 1 357.418 0.289 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588358343 1282469300 /nfs/dbraw/zinc/46/93/00/1282469300.db2.gz QVZJSZHWZMADLA-KGLIPLIRSA-N 0 1 369.429 0.585 20 30 FCEDMN C#CCOCCC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588359564 1282474132 /nfs/dbraw/zinc/47/41/32/1282474132.db2.gz RUZDKKDVKXIVAE-UHFFFAOYSA-N 0 1 369.429 0.649 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588359458 1282474400 /nfs/dbraw/zinc/47/44/00/1282474400.db2.gz OSWYKXZXHDUBHU-HNNXBMFYSA-N 0 1 372.404 0.736 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588359247 1282474644 /nfs/dbraw/zinc/47/46/44/1282474644.db2.gz ZVWBOXXDJJBTHP-LRDDRELGSA-N 0 1 369.429 0.371 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588359248 1282475005 /nfs/dbraw/zinc/47/50/05/1282475005.db2.gz ZVWBOXXDJJBTHP-MLGOLLRUSA-N 0 1 369.429 0.371 20 30 FCEDMN C#CCOCCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588360422 1282479165 /nfs/dbraw/zinc/47/91/65/1282479165.db2.gz PIZWDYIMAVNKEC-CYBMUJFWSA-N 0 1 357.418 0.291 20 30 FCEDMN C#CCOCCC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588361424 1282482058 /nfs/dbraw/zinc/48/20/58/1282482058.db2.gz MOGVEIFPKPHBOZ-UHFFFAOYSA-N 0 1 354.414 0.455 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361978 1282486758 /nfs/dbraw/zinc/48/67/58/1282486758.db2.gz VIJQVIHBFAEWCS-ZDUSSCGKSA-N 0 1 357.418 0.339 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364579 1282491983 /nfs/dbraw/zinc/49/19/83/1282491983.db2.gz HZTBMFRKRNNJLT-LBPRGKRZSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)nc1 ZINC001588364403 1282492126 /nfs/dbraw/zinc/49/21/26/1282492126.db2.gz DNPYTAKBPXGSGX-UHFFFAOYSA-N 0 1 362.397 0.846 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001588370298 1282493196 /nfs/dbraw/zinc/49/31/96/1282493196.db2.gz YVZCOWXEVQACRQ-OKILXGFUSA-N 0 1 360.381 0.433 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1 ZINC001588370251 1282493976 /nfs/dbraw/zinc/49/39/76/1282493976.db2.gz VZSKIZOJEFBQSR-GFCCVEGCSA-N 0 1 362.397 0.599 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)c1 ZINC001588379671 1282495304 /nfs/dbraw/zinc/49/53/04/1282495304.db2.gz LMOQYJBSYBKBOQ-GFCCVEGCSA-N 0 1 362.397 0.599 20 30 FCEDMN C#Cc1ccccc1CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588377524 1282495865 /nfs/dbraw/zinc/49/58/65/1282495865.db2.gz YNCUVLKFLNMPHE-UHFFFAOYSA-N 0 1 373.420 0.968 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588391112 1282498157 /nfs/dbraw/zinc/49/81/57/1282498157.db2.gz FUMILDZPVRWDIU-CYBMUJFWSA-N 0 1 373.461 0.826 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1)OCC ZINC001588403185 1282499610 /nfs/dbraw/zinc/49/96/10/1282499610.db2.gz WGSXNLNOMAAKMT-SWLSCSKDSA-N 0 1 359.434 0.972 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402999 1282500960 /nfs/dbraw/zinc/50/09/60/1282500960.db2.gz RSZHMMQNMIZBBJ-QWHCGFSZSA-N 0 1 374.449 0.709 20 30 FCEDMN C=C(C)CCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588412580 1282502323 /nfs/dbraw/zinc/50/23/23/1282502323.db2.gz XZTOTQUYDGWIPY-ZDUSSCGKSA-N 0 1 357.418 0.679 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001588455850 1282510489 /nfs/dbraw/zinc/51/04/89/1282510489.db2.gz SSRKWQPVXDBCIU-ZDUSSCGKSA-N 0 1 374.420 0.929 20 30 FCEDMN C=C1CCC(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588461770 1282511824 /nfs/dbraw/zinc/51/18/24/1282511824.db2.gz SGQYTXTYWATBGS-CYBMUJFWSA-N 0 1 357.418 0.319 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588467828 1282515193 /nfs/dbraw/zinc/51/51/93/1282515193.db2.gz DWIQYLHPHOMCFC-NEPJUHHUSA-N 0 1 356.434 0.797 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588485005 1282519743 /nfs/dbraw/zinc/51/97/43/1282519743.db2.gz UTZIVHITZPRZCS-ZDUSSCGKSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588499510 1282530208 /nfs/dbraw/zinc/53/02/08/1282530208.db2.gz JDJUUNJHHDPPRO-MEDUHNTESA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588499510 1282530219 /nfs/dbraw/zinc/53/02/19/1282530219.db2.gz JDJUUNJHHDPPRO-MEDUHNTESA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588500924 1282535672 /nfs/dbraw/zinc/53/56/72/1282535672.db2.gz GRALYIHDXMETGX-HZPDHXFCSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588502135 1282536698 /nfs/dbraw/zinc/53/66/98/1282536698.db2.gz QLRTXAWWNMLENJ-YVEFUNNKSA-N 0 1 357.418 0.414 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCN(CCC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588503924 1282543635 /nfs/dbraw/zinc/54/36/35/1282543635.db2.gz HYIWWSZGJWFDAW-INIZCTEOSA-N 0 1 360.422 0.316 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001588505834 1282547956 /nfs/dbraw/zinc/54/79/56/1282547956.db2.gz YCZGDAKNVIJMDS-YOEHRIQHSA-N 0 1 359.434 0.563 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001588505832 1282548168 /nfs/dbraw/zinc/54/81/68/1282548168.db2.gz YCZGDAKNVIJMDS-RHSMWYFYSA-N 0 1 359.434 0.563 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588507663 1282549936 /nfs/dbraw/zinc/54/99/36/1282549936.db2.gz JRQJEHKRXUDVEV-USBNGQNGSA-N 0 1 362.459 0.992 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588507663 1282549943 /nfs/dbraw/zinc/54/99/43/1282549943.db2.gz JRQJEHKRXUDVEV-USBNGQNGSA-N 0 1 362.459 0.992 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588553240 1282566033 /nfs/dbraw/zinc/56/60/33/1282566033.db2.gz KHWHQXATGHSDDI-LBPRGKRZSA-N 0 1 372.433 0.104 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608708 1282584098 /nfs/dbraw/zinc/58/40/98/1282584098.db2.gz PJEIHXSCAZLMJL-CHWSQXEVSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588609055 1282585130 /nfs/dbraw/zinc/58/51/30/1282585130.db2.gz TYJAWMRGYYPSLQ-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001588609295 1282588046 /nfs/dbraw/zinc/58/80/46/1282588046.db2.gz LXFLZUNUHZXNNX-ZDUSSCGKSA-N 0 1 357.418 0.734 20 30 FCEDMN C=CCCOCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588615749 1282593324 /nfs/dbraw/zinc/59/33/24/1282593324.db2.gz GNHRUCWKYYKNMG-OKILXGFUSA-N 0 1 371.445 0.891 20 30 FCEDMN C=CCCOCC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001588616274 1282595466 /nfs/dbraw/zinc/59/54/66/1282595466.db2.gz CFDWHAGLUXFEQH-LBPRGKRZSA-N 0 1 374.449 0.614 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588617704 1282598652 /nfs/dbraw/zinc/59/86/52/1282598652.db2.gz YEILZTWVMCYSEX-CHWSQXEVSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001588657477 1282608891 /nfs/dbraw/zinc/60/88/91/1282608891.db2.gz OCWILCOYBHXDQO-GFCCVEGCSA-N 0 1 374.449 0.279 20 30 FCEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@@H](C)O2 ZINC001588657759 1282610212 /nfs/dbraw/zinc/61/02/12/1282610212.db2.gz WARSEJNAPMQOGE-SJKOYZFVSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCOCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588667270 1282623609 /nfs/dbraw/zinc/62/36/09/1282623609.db2.gz TXXNJJTUPNCISQ-HNNXBMFYSA-N 0 1 371.445 0.844 20 30 FCEDMN C=CCOCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588672648 1282628837 /nfs/dbraw/zinc/62/88/37/1282628837.db2.gz XTGJHOGGIBAKHE-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCOCCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588680767 1282637491 /nfs/dbraw/zinc/63/74/91/1282637491.db2.gz CKCRSOFXQCBMFL-ZDUSSCGKSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCOCCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682942 1282647013 /nfs/dbraw/zinc/64/70/13/1282647013.db2.gz UZFVZNPCIXQFAH-ZDUSSCGKSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001588699179 1282652648 /nfs/dbraw/zinc/65/26/48/1282652648.db2.gz FFIKODGFOVMNAY-MNOVXSKESA-N 0 1 356.394 0.648 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCC[C@@H](OC)C1 ZINC001588699404 1282653844 /nfs/dbraw/zinc/65/38/44/1282653844.db2.gz IRQGIVCXDUDVPI-SNVBAGLBSA-N 0 1 356.394 0.650 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001588708600 1282658306 /nfs/dbraw/zinc/65/83/06/1282658306.db2.gz JKLUUYANVVRNHO-WDEREUQCSA-N 0 1 373.400 0.468 20 30 FCEDMN C=CCn1cc(C(=O)N[C@H](C)CN(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001588713762 1282659049 /nfs/dbraw/zinc/65/90/49/1282659049.db2.gz SIURZJWMVLVWQH-LLVKDONJSA-N 0 1 368.405 0.294 20 30 FCEDMN C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588935971 1282733783 /nfs/dbraw/zinc/73/37/83/1282733783.db2.gz BVGTZLJRXOUWRW-ONGXEEELSA-N 0 1 351.330 0.367 20 30 FCEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588970409 1282746700 /nfs/dbraw/zinc/74/67/00/1282746700.db2.gz HYBISDNVJSIVAX-SECBINFHSA-N 0 1 359.350 0.875 20 30 FCEDMN C[C@@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589027263 1282776931 /nfs/dbraw/zinc/77/69/31/1282776931.db2.gz MLZLXDGXYUMYJN-VIFPVBQESA-N 0 1 367.329 0.073 20 30 FCEDMN CC(C)(CC#N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001589267432 1282823427 /nfs/dbraw/zinc/82/34/27/1282823427.db2.gz XHYXGDSPCNPYBI-UHFFFAOYSA-N 0 1 365.375 0.993 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589379869 1282854248 /nfs/dbraw/zinc/85/42/48/1282854248.db2.gz DJUHPSIOMAPCNM-CYBMUJFWSA-N 0 1 354.418 0.389 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001589387315 1282862273 /nfs/dbraw/zinc/86/22/73/1282862273.db2.gz KOEKKAHDCWJFHR-IHRRRGAJSA-N 0 1 366.429 0.790 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001589387638 1282863263 /nfs/dbraw/zinc/86/32/63/1282863263.db2.gz NEAYLQDPWGHTBH-QWHCGFSZSA-N 0 1 354.418 0.790 20 30 FCEDMN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001589906211 1283117185 /nfs/dbraw/zinc/11/71/85/1283117185.db2.gz PCOAUQAXKKQSOK-JTQLQIEISA-N 0 1 374.368 0.739 20 30 FCEDMN C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590256513 1283379666 /nfs/dbraw/zinc/37/96/66/1283379666.db2.gz FXXVKMDLYVYYLX-OCCSQVGLSA-N 0 1 366.429 0.531 20 30 FCEDMN C[C@H]1CCc2ccccc2N1C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001590282567 1283409836 /nfs/dbraw/zinc/40/98/36/1283409836.db2.gz QFYGBGMVXDRPEB-JTQLQIEISA-N 0 1 363.385 0.885 20 30 FCEDMN CN(C(=O)CSCC#N)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001590984598 1284039044 /nfs/dbraw/zinc/03/90/44/1284039044.db2.gz XPSXEKMDVRFCKD-UHFFFAOYSA-N 0 1 373.446 0.341 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001591158312 1284231163 /nfs/dbraw/zinc/23/11/63/1284231163.db2.gz SDLYJLUODXLHOH-LLVKDONJSA-N 0 1 364.373 0.207 20 30 FCEDMN COCCN(CCNC(=O)C#CC(C)C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001591424025 1284574681 /nfs/dbraw/zinc/57/46/81/1284574681.db2.gz CJFVRKGXZYEEGD-UHFFFAOYSA-N 0 1 371.445 0.799 20 30 FCEDMN CN(CC(C)(C)C#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001604712943 1287749838 /nfs/dbraw/zinc/74/98/38/1287749838.db2.gz QNJZHZMGNCASCN-UHFFFAOYSA-N 0 1 365.375 0.945 20 30 FCEDMN Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036323 1285081669 /nfs/dbraw/zinc/08/16/69/1285081669.db2.gz QNOJQHYPXJGJPY-NWDGAFQWSA-N 0 1 372.458 0.650 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCOc1cccc(C)c1 ZINC001592237840 1285193777 /nfs/dbraw/zinc/19/37/77/1285193777.db2.gz BTEKWTDDJBQMBF-UHFFFAOYSA-N 0 1 366.385 0.747 20 30 FCEDMN Cn1cc([C@@H]2C[C@@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)cn1 ZINC001592568889 1285483354 /nfs/dbraw/zinc/48/33/54/1285483354.db2.gz CDOUWUFOCLKEHL-JQWIXIFHSA-N 0 1 352.362 0.594 20 30 FCEDMN N#CC1(CNC[C@H](O)COc2ccccc2-c2nn[nH]n2)CCOCC1 ZINC001592668931 1285565419 /nfs/dbraw/zinc/56/54/19/1285565419.db2.gz BREPBBJMSZAQBB-ZDUSSCGKSA-N 0 1 358.402 0.516 20 30 FCEDMN N#CCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001592678226 1285573316 /nfs/dbraw/zinc/57/33/16/1285573316.db2.gz QBAWQWFBLVZXID-UHFFFAOYSA-N 0 1 357.378 0.477 20 30 FCEDMN N#CCSCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001592679491 1285576852 /nfs/dbraw/zinc/57/68/52/1285576852.db2.gz RXSUPPVKCQNXEE-UHFFFAOYSA-N 0 1 372.458 0.781 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001592684123 1285584293 /nfs/dbraw/zinc/58/42/93/1285584293.db2.gz OOMSUIFVRLXWMP-UHFFFAOYSA-N 0 1 365.313 0.432 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC001592684191 1285584600 /nfs/dbraw/zinc/58/46/00/1285584600.db2.gz SBYLNPDVVBKESW-UHFFFAOYSA-N 0 1 367.329 0.275 20 30 FCEDMN N#Cc1ccc(CSCC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001592694491 1285585598 /nfs/dbraw/zinc/58/55/98/1285585598.db2.gz WHPYQQBCUJCFLD-UHFFFAOYSA-N 0 1 369.414 0.379 20 30 FCEDMN N#Cc1nc(C2CC2)oc1N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592706211 1285593926 /nfs/dbraw/zinc/59/39/26/1285593926.db2.gz OMKNRLMNLRXLPQ-UHFFFAOYSA-N 0 1 364.373 0.720 20 30 FCEDMN N#Cc1ncc(N2CCN(Cc3cscn3)CC2)nc1-c1nn[nH]n1 ZINC001592708472 1285594527 /nfs/dbraw/zinc/59/45/27/1285594527.db2.gz SVBUCGXWKUAVAO-UHFFFAOYSA-N 0 1 354.403 0.307 20 30 FCEDMN O=C(C#CC1CC1)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592767331 1285691100 /nfs/dbraw/zinc/69/11/00/1285691100.db2.gz AVYYZRGLCCBOEP-QGZVFWFLSA-N 0 1 372.454 0.395 20 30 FCEDMN O=C(C#CC1CC1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592767331 1285691102 /nfs/dbraw/zinc/69/11/02/1285691102.db2.gz AVYYZRGLCCBOEP-QGZVFWFLSA-N 0 1 372.454 0.395 20 30 FCEDMN COC(=O)c1sccc1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001609306991 1289078682 /nfs/dbraw/zinc/07/86/82/1289078682.db2.gz KVJQRZJHJHOUFG-UHFFFAOYSA-N 0 1 358.343 0.422 20 30 FCEDMN N#Cc1cc(F)c(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c(F)c1 ZINC001601088488 1286630454 /nfs/dbraw/zinc/63/04/54/1286630454.db2.gz WKDCRGVSRGFRFQ-QGZVFWFLSA-N 0 1 365.336 0.838 20 30 FCEDMN C#CCCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001602702121 1287065896 /nfs/dbraw/zinc/06/58/96/1287065896.db2.gz ADYOZOKLMJDUBO-UHFFFAOYSA-N 0 1 354.418 0.723 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602702236 1287067109 /nfs/dbraw/zinc/06/71/09/1287067109.db2.gz DGFDFJCAIYBPAC-GOSISDBHSA-N 0 1 369.429 0.253 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602716403 1287074217 /nfs/dbraw/zinc/07/42/17/1287074217.db2.gz FGHQGWQHOAZEDO-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602716403 1287074228 /nfs/dbraw/zinc/07/42/28/1287074228.db2.gz FGHQGWQHOAZEDO-UHFFFAOYSA-N 0 1 352.395 0.239 20 30 FCEDMN C#CCN1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@H](C)O2 ZINC001602721410 1287076118 /nfs/dbraw/zinc/07/61/18/1287076118.db2.gz IJMOHDBIQVJRMU-SJCJKPOMSA-N 0 1 355.402 0.133 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602725417 1287083266 /nfs/dbraw/zinc/08/32/66/1287083266.db2.gz KDPFSRHRIWMELJ-ZIAGYGMSSA-N 0 1 369.429 0.433 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602726976 1287091430 /nfs/dbraw/zinc/09/14/30/1287091430.db2.gz JEKPXRYDLKEVQY-GOSISDBHSA-N 0 1 369.429 0.374 20 30 FCEDMN C#CCOCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001602729565 1287096368 /nfs/dbraw/zinc/09/63/68/1287096368.db2.gz XBPUMDCARDOKFS-UHFFFAOYSA-N 0 1 355.402 0.174 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001602737692 1287098978 /nfs/dbraw/zinc/09/89/78/1287098978.db2.gz VXYFKKPZRMIJEN-CQSZACIVSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602790735 1287115618 /nfs/dbraw/zinc/11/56/18/1287115618.db2.gz RVLJMQNKKBAFJV-GOSISDBHSA-N 0 1 373.461 0.827 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001602791998 1287117324 /nfs/dbraw/zinc/11/73/24/1287117324.db2.gz CUUDTPQASOMZDM-SNUQEOBHSA-N 0 1 371.445 0.850 20 30 FCEDMN C=CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001602825260 1287126697 /nfs/dbraw/zinc/12/66/97/1287126697.db2.gz VWRZUXBAZVAREG-QWHCGFSZSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CCCCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001602834240 1287128610 /nfs/dbraw/zinc/12/86/10/1287128610.db2.gz MAPCEPAHSXSAMG-GFCCVEGCSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001602834354 1287128718 /nfs/dbraw/zinc/12/87/18/1287128718.db2.gz QKFDQFKMDCBGCA-HIFRSBDPSA-N 0 1 357.418 0.592 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602841060 1287130636 /nfs/dbraw/zinc/13/06/36/1287130636.db2.gz LXNJVJZDRZZBRZ-KGLIPLIRSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602841133 1287131299 /nfs/dbraw/zinc/13/12/99/1287131299.db2.gz OKZTZJRVNKLGIC-IHRRRGAJSA-N 0 1 371.445 0.972 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602841202 1287131495 /nfs/dbraw/zinc/13/14/95/1287131495.db2.gz QFGZKJQRJXLYNK-QWHCGFSZSA-N 0 1 359.434 0.924 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602867883 1287141690 /nfs/dbraw/zinc/14/16/90/1287141690.db2.gz BHDJFMPYBNMMQO-NEPJUHHUSA-N 0 1 358.406 0.333 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602892183 1287149472 /nfs/dbraw/zinc/14/94/72/1287149472.db2.gz PGCIPJIUNKSDDO-KBPBESRZSA-N 0 1 368.445 0.779 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001602982176 1287173185 /nfs/dbraw/zinc/17/31/85/1287173185.db2.gz PTHNTBZRVHTSAO-ZBEGNZNMSA-N 0 1 353.390 0.245 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001602984115 1287173999 /nfs/dbraw/zinc/17/39/99/1287173999.db2.gz STOMHEGBLYKCKG-MMPTUQATSA-N 0 1 353.390 0.291 20 30 FCEDMN C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001603019114 1287187285 /nfs/dbraw/zinc/18/72/85/1287187285.db2.gz AXBPZXKIKIHAAE-MRVPVSSYSA-N 0 1 357.765 0.861 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C#N)ccn2)c1-c1nnn[n-]1 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C=CCCC(=O)N(Cc1c[nH]nn1)C1CCN([C@@H](C)c2nnnn2C)CC1 ZINC001575086356 1271715244 /nfs/dbraw/zinc/71/52/44/1271715244.db2.gz UHTRHTWAGIQVAX-ZDUSSCGKSA-N 0 1 373.465 0.849 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)C1CN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575096766 1271716055 /nfs/dbraw/zinc/71/60/55/1271716055.db2.gz BHZTYTGTFLTCMC-STQMWFEESA-N 0 1 365.434 0.360 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)C1CN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575096763 1271716193 /nfs/dbraw/zinc/71/61/93/1271716193.db2.gz BHZTYTGTFLTCMC-CHWSQXEVSA-N 0 1 365.434 0.360 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575103298 1271718922 /nfs/dbraw/zinc/71/89/22/1271718922.db2.gz ADQABWJNYDVQHW-CYBMUJFWSA-N 0 1 368.441 0.824 20 30 FCEDMN C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccccc2-c2cn[nH]n2)C1 ZINC001575103443 1271718979 /nfs/dbraw/zinc/71/89/79/1271718979.db2.gz BZRXIXASAMXSCA-HNNXBMFYSA-N 0 1 368.441 0.507 20 30 FCEDMN C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575103468 1271719083 /nfs/dbraw/zinc/71/90/83/1271719083.db2.gz CQRKXHOQTPNRHH-ZDUSSCGKSA-N 0 1 371.445 0.609 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N[C@H]1CC2(CN(Cc3c[nH]nn3)C2)n2ccnc21 ZINC001575100132 1271719238 /nfs/dbraw/zinc/71/92/38/1271719238.db2.gz LVJHRASMNPPSSF-HIFRSBDPSA-N 0 1 371.445 0.755 20 30 FCEDMN C=CCN1CC[C@H](N2CC[C@@H](NC(=O)CCCCc3cn[nH]n3)C2)C1=O ZINC001575103424 1271719857 /nfs/dbraw/zinc/71/98/57/1271719857.db2.gz BSMCJGQHDDSMFY-CVEARBPZSA-N 0 1 360.462 0.495 20 30 FCEDMN C=CCCOCC(=O)NCC1CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575100661 1271720065 /nfs/dbraw/zinc/72/00/65/1271720065.db2.gz TVKCEQOSKANJRT-UHFFFAOYSA-N 0 1 370.413 0.648 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575103800 1271721066 /nfs/dbraw/zinc/72/10/66/1271721066.db2.gz IIFYEINJODCJCR-AWEZNQCLSA-N 0 1 369.429 0.363 20 30 FCEDMN C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575108102 1271722048 /nfs/dbraw/zinc/72/20/48/1271722048.db2.gz GIAMESFHIMSELC-CYDGBPFRSA-N 0 1 351.407 0.064 20 30 FCEDMN C=CCn1c(-c2cccn2C)nnc1N1CCN(Cc2c[nH]nn2)CC1 ZINC001575111257 1271723453 /nfs/dbraw/zinc/72/34/53/1271723453.db2.gz APJGTLOFAHHWNY-UHFFFAOYSA-N 0 1 353.434 0.910 20 30 FCEDMN C=CCOCC(=O)NC[C@@H](C)NC(=O)Cc1ccccc1-c1cn[nH]n1 ZINC001575110543 1271724315 /nfs/dbraw/zinc/72/43/15/1271724315.db2.gz SYKNPDVGDQHAAI-CYBMUJFWSA-N 0 1 357.414 0.838 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575109951 1271724325 /nfs/dbraw/zinc/72/43/25/1271724325.db2.gz GPHTVGFFNIEQGZ-AWEZNQCLSA-N 0 1 370.413 0.790 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@H]21 ZINC001575112046 1271725978 /nfs/dbraw/zinc/72/59/78/1271725978.db2.gz MXGAKYUJZIKZTF-DZUCGIPZSA-N 0 1 373.457 0.778 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C[C@H]21 ZINC001575112046 1271725983 /nfs/dbraw/zinc/72/59/83/1271725983.db2.gz MXGAKYUJZIKZTF-DZUCGIPZSA-N 0 1 373.457 0.778 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(C)n1C[C@@]1(C)CN(C2CC2)C1=O ZINC001575121660 1271732441 /nfs/dbraw/zinc/73/24/41/1271732441.db2.gz LCBYWZKGYOLLPS-SFHVURJKSA-N 0 1 368.445 0.745 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575176653 1271764650 /nfs/dbraw/zinc/76/46/50/1271764650.db2.gz GXDBGFQFURJSSR-NEPJUHHUSA-N 0 1 353.386 0.605 20 30 FCEDMN C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2ccccc2-c2cn[nH]n2)CC1 ZINC001575177138 1271765532 /nfs/dbraw/zinc/76/55/32/1271765532.db2.gz KAVBPLHABZVQRK-GFCCVEGCSA-N 0 1 352.398 0.939 20 30 FCEDMN C[C@@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)c2ccon2)CC1 ZINC001575177161 1271765610 /nfs/dbraw/zinc/76/56/10/1271765610.db2.gz KAZLLQINUOMMMT-NSHDSACASA-N 0 1 357.374 0.586 20 30 FCEDMN C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575177903 1271766274 /nfs/dbraw/zinc/76/62/74/1271766274.db2.gz MVTYFOVHPNCUTO-OLZOCXBDSA-N 0 1 361.450 0.187 20 30 FCEDMN C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575178944 1271767991 /nfs/dbraw/zinc/76/79/91/1271767991.db2.gz RMQVTLUCSLFXLA-SWHYSGLUSA-N 0 1 351.370 0.452 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575177909 1271768413 /nfs/dbraw/zinc/76/84/13/1271768413.db2.gz MWTPCBGBIRGZQK-OLZOCXBDSA-N 0 1 367.413 0.995 20 30 FCEDMN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575179436 1271769499 /nfs/dbraw/zinc/76/94/99/1271769499.db2.gz VEGNCTYYWWBSOX-WDEREUQCSA-N 0 1 353.386 0.603 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)CCO1 ZINC001575180083 1271770082 /nfs/dbraw/zinc/77/00/82/1271770082.db2.gz ZEUXQZQWWAVZMA-TZMCWYRMSA-N 0 1 360.418 0.021 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 ZINC001575180083 1271770091 /nfs/dbraw/zinc/77/00/91/1271770091.db2.gz ZEUXQZQWWAVZMA-TZMCWYRMSA-N 0 1 360.418 0.021 20 30 FCEDMN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@]2(NC(=O)C#CC3CC3)CCC[C@H]12 ZINC001575222292 1271816111 /nfs/dbraw/zinc/81/61/11/1271816111.db2.gz KPVBPZKZSUKTOM-ACWOFJMJSA-N 0 1 370.457 0.336 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575318697 1271918261 /nfs/dbraw/zinc/91/82/61/1271918261.db2.gz OYBQJYWNWYXCQC-SJORKVTESA-N 0 1 372.473 0.488 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCN([C@H](C)C(=O)NCc2c[nH]nn2)CC1(C)C ZINC001575318905 1271919621 /nfs/dbraw/zinc/91/96/21/1271919621.db2.gz SLTXULHLHZBDPG-ZBFHGGJFSA-N 0 1 374.489 0.686 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)CCCCc1cn[nH]n1 ZINC001575317930 1271920116 /nfs/dbraw/zinc/92/01/16/1271920116.db2.gz DAWAXGSHWITQKV-INIZCTEOSA-N 0 1 363.462 0.455 20 30 FCEDMN CC(C)C#CC(=O)N(Cc1c[nH]nn1)C1CCN(Cc2cnn(C)n2)CC1 ZINC001575319117 1271921759 /nfs/dbraw/zinc/92/17/59/1271921759.db2.gz YKPUNVIETBNDKZ-UHFFFAOYSA-N 0 1 370.461 0.586 20 30 FCEDMN C[C@H](CN(C)C(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)C#CC1CC1 ZINC001575554467 1272194162 /nfs/dbraw/zinc/19/41/62/1272194162.db2.gz GIWUPWFMAVRURY-GFCCVEGCSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)N(C)c1ccc(C#N)nc1 ZINC001575590844 1272221257 /nfs/dbraw/zinc/22/12/57/1272221257.db2.gz YSROORFSVPWHDG-GUYCJALGSA-N 0 1 368.445 0.677 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC001575741514 1272412136 /nfs/dbraw/zinc/41/21/36/1272412136.db2.gz JSDQRAROXUTYJC-ZDUSSCGKSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@H](CN(C)c2cncc(C#N)n2)C1 ZINC001575743794 1272412850 /nfs/dbraw/zinc/41/28/50/1272412850.db2.gz WQFFWUHKWYNLMM-QWHCGFSZSA-N 0 1 370.417 0.356 20 30 FCEDMN C[C@]1(C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)COC(=O)N1 ZINC001575753016 1272416788 /nfs/dbraw/zinc/41/67/88/1272416788.db2.gz VSLWOWZHHQWSMN-OAHLLOKOSA-N 0 1 355.362 0.243 20 30 FCEDMN C[C@@]1(CNC(=O)C#CC2CC2)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575769904 1272427307 /nfs/dbraw/zinc/42/73/07/1272427307.db2.gz MHMPYOBCISPFJI-SFHVURJKSA-N 0 1 366.429 0.793 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 ZINC001575822421 1272482130 /nfs/dbraw/zinc/48/21/30/1272482130.db2.gz JBSHWXXLPSUMOB-SMDDNHRTSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001575824450 1272483895 /nfs/dbraw/zinc/48/38/95/1272483895.db2.gz DATAWXANGDPOAO-XKQJLSEDSA-N 0 1 371.441 0.715 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001575846696 1272521536 /nfs/dbraw/zinc/52/15/36/1272521536.db2.gz LRIVLYWTGIVZMC-SMDDNHRTSA-N 0 1 370.417 0.403 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575851674 1272525132 /nfs/dbraw/zinc/52/51/32/1272525132.db2.gz CZGBJFOKXGTELU-ZUZCIYMTSA-N 0 1 371.401 0.234 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC001575862444 1272535118 /nfs/dbraw/zinc/53/51/18/1272535118.db2.gz KJJKYBBTEGMRKR-FZMZJTMJSA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCCNc1nc(Cl)c(C#N)s1 ZINC001575877034 1272542141 /nfs/dbraw/zinc/54/21/41/1272542141.db2.gz MPXWZPQDMJCSCY-SSDOTTSWSA-N 0 1 355.811 0.920 20 30 FCEDMN C[C@H]1[C@@H](NC(=O)CCOCc2c[nH]nn2)CCCN1C(=O)C#CC1CC1 ZINC001576018513 1272718060 /nfs/dbraw/zinc/71/80/60/1272718060.db2.gz BCYTYIYMHZFMLV-BBRMVZONSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCCc1c[nH]nn1 ZINC001576021872 1272723911 /nfs/dbraw/zinc/72/39/11/1272723911.db2.gz AUKDKMKGVMTZKT-RISCZKNCSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCCc1cnn[nH]1 ZINC001576021872 1272723918 /nfs/dbraw/zinc/72/39/18/1272723918.db2.gz AUKDKMKGVMTZKT-RISCZKNCSA-N 0 1 355.402 0.747 20 30 FCEDMN CC[C@H](CNC(=O)CCOCc1c[nH]nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001576245227 1273023775 /nfs/dbraw/zinc/02/37/75/1273023775.db2.gz HNUDZXASAVUDKR-GFCCVEGCSA-N 0 1 359.390 0.236 20 30 FCEDMN C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576295310 1273107958 /nfs/dbraw/zinc/10/79/58/1273107958.db2.gz VTHZVHHFHRZJMN-BONVTDFDSA-N 0 1 363.385 0.456 20 30 FCEDMN C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576300512 1273111838 /nfs/dbraw/zinc/11/18/38/1273111838.db2.gz YBLSJQUAAPGPNN-BONVTDFDSA-N 0 1 363.385 0.456 20 30 FCEDMN C[C@@H]1C[N@H+](C[C@H]2CCCN2c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001576361276 1273183190 /nfs/dbraw/zinc/18/31/90/1273183190.db2.gz SAOBWYCLJNCOTC-FRRDWIJNSA-N 0 1 369.433 0.606 20 30 FCEDMN C[C@@H]1CN=C(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)S1 ZINC001576364030 1273186300 /nfs/dbraw/zinc/18/63/00/1273186300.db2.gz JNOKMODFQRDHQZ-SECBINFHSA-N 0 1 356.419 0.142 20 30 FCEDMN CCCC[C@@H](CNC(=O)C#CC1CC1)NC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001576375911 1273201334 /nfs/dbraw/zinc/20/13/34/1273201334.db2.gz IRCAXBOPHLHRHQ-HIFRSBDPSA-N 0 1 361.446 0.914 20 30 FCEDMN CCOCCC(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](C)C#N)CC1 ZINC001576579090 1273458121 /nfs/dbraw/zinc/45/81/21/1273458121.db2.gz 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0.353 20 30 FCEDMN N#CCSCC(=O)NC1CN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001577709868 1274769598 /nfs/dbraw/zinc/76/95/98/1274769598.db2.gz GKXBWGQWXKKFJB-UHFFFAOYSA-N 0 1 350.448 0.491 20 30 FCEDMN N#Cc1ccc(C(=O)NCC=CCNC(=O)CCOCc2c[nH]nn2)[nH]1 ZINC001577712345 1274771468 /nfs/dbraw/zinc/77/14/68/1274771468.db2.gz JRZVEXGTHFFONJ-UPHRSURJSA-N 0 1 357.374 0.014 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)c1 ZINC001577712142 1274771751 /nfs/dbraw/zinc/77/17/51/1274771751.db2.gz BSFRPRBRBYULNU-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)c1 ZINC001577712142 1274771759 /nfs/dbraw/zinc/77/17/59/1274771759.db2.gz BSFRPRBRBYULNU-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#CCSCC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001577710281 1274772265 /nfs/dbraw/zinc/77/22/65/1274772265.db2.gz VZEAKEKDSFSFES-GFCCVEGCSA-N 0 1 371.426 0.454 20 30 FCEDMN N#Cc1cccc(CN2C[C@@H](NC(=O)CCCc3c[nH]nn3)[C@@H](O)C2)c1 ZINC001577717860 1274778392 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NBHVXRCDYVXUQT-STQMWFEESA-N 0 1 370.417 0.913 20 30 FCEDMN N#Cc1cnc(NC[C@H](O)CNC(=O)CCCCc2cn[nH]n2)c(F)c1 ZINC001577718932 1274783134 /nfs/dbraw/zinc/78/31/34/1274783134.db2.gz BJJZWGCQHGNTJN-CYBMUJFWSA-N 0 1 361.381 0.512 20 30 FCEDMN CCOC(=O)[C@@]1(COC)CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001578243952 1275547024 /nfs/dbraw/zinc/54/70/24/1275547024.db2.gz FRBGWNRIHJCEOQ-INIZCTEOSA-N 0 1 372.389 0.324 20 30 FCEDMN CCS(=O)(=O)c1ccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001578415815 1275784851 /nfs/dbraw/zinc/78/48/51/1275784851.db2.gz KDUUYGJPQPKDHQ-UHFFFAOYSA-N 0 1 370.398 0.934 20 30 FCEDMN CN(CCOCCNC(=O)N[C@H]1CNC[C@@H]1C#N)C(=O)OC(C)(C)C ZINC001578476869 1275890815 /nfs/dbraw/zinc/89/08/15/1275890815.db2.gz AOGVOYYXMJMIKQ-STQMWFEESA-N 0 1 355.439 0.281 20 30 FCEDMN COC[C@]1(C(=O)N2CCCN(c3ccccc3C#N)CC2)CNCCO1 ZINC001578971968 1276517978 /nfs/dbraw/zinc/51/79/78/1276517978.db2.gz FNGZQUSHJYIPCY-IBGZPJMESA-N 0 1 358.442 0.602 20 30 FCEDMN CN(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579149938 1276882173 /nfs/dbraw/zinc/88/21/73/1276882173.db2.gz OHKOJGIXAHBJBW-UHFFFAOYSA-N 0 1 351.374 0.670 20 30 FCEDMN CN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)Cc1ccc(C#N)cc1 ZINC001579191033 1276963340 /nfs/dbraw/zinc/96/33/40/1276963340.db2.gz FCWQOXCCJBERMG-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579433672 1277301058 /nfs/dbraw/zinc/30/10/58/1277301058.db2.gz MIOCCDRZTRQDAO-NXEZZACHSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)CN(CCc1ccccc1)c1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579449341 1277338404 /nfs/dbraw/zinc/33/84/04/1277338404.db2.gz WFYYHZGAJKQUKX-UHFFFAOYSA-N 0 1 364.369 0.750 20 30 FCEDMN COC(=O)N1CCC([C@@H](C)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001579453297 1277343694 /nfs/dbraw/zinc/34/36/94/1277343694.db2.gz QYFPRQMDZPDHJP-SECBINFHSA-N 0 1 357.378 0.807 20 30 FCEDMN Cc1cc(NC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)ncc1C#N ZINC001579630285 1277687336 /nfs/dbraw/zinc/68/73/36/1277687336.db2.gz MOOYEGSSOASWDR-AWEZNQCLSA-N 0 1 356.430 0.937 20 30 FCEDMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001579855262 1277936925 /nfs/dbraw/zinc/93/69/25/1277936925.db2.gz BEOXGSUPEVULCD-NILFDRSVSA-N 0 1 355.402 0.342 20 30 FCEDMN COc1ccc(CN2CC[C@@H](NC(=O)C#CC3CC3)C2)cc1-c1nn[nH]n1 ZINC001580007968 1277988916 /nfs/dbraw/zinc/98/89/16/1277988916.db2.gz BPBKMZKDGKUFRT-OAHLLOKOSA-N 0 1 366.425 0.979 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001603189535 1287326834 /nfs/dbraw/zinc/32/68/34/1287326834.db2.gz OEXGPXPZRMKSQC-LBPRGKRZSA-N 0 1 354.418 0.387 20 30 FCEDMN Cc1cc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959302 1279163056 /nfs/dbraw/zinc/16/30/56/1279163056.db2.gz VAHBEFQIXWATCU-LBPRGKRZSA-N 0 1 363.385 0.779 20 30 FCEDMN Cc1cc(N2CCC[C@@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001580966445 1279169289 /nfs/dbraw/zinc/16/92/89/1279169289.db2.gz IYMDSKWGMGZLDO-LLVKDONJSA-N 0 1 365.405 0.651 20 30 FCEDMN Cc1cc(N2CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580968560 1279169544 /nfs/dbraw/zinc/16/95/44/1279169544.db2.gz KZAAOSDIWYPGIA-AAEUAGOBSA-N 0 1 370.417 0.441 20 30 FCEDMN CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Cc1ccc(C#N)s1 ZINC001714659675 1287330128 /nfs/dbraw/zinc/33/01/28/1287330128.db2.gz KYIVVRSVEUWYAU-LSDHHAIUSA-N 0 1 364.471 0.981 20 30 FCEDMN Cc1cc(N[C@@H](CNC(=O)CSCC#N)C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580992836 1279196830 /nfs/dbraw/zinc/19/68/30/1279196830.db2.gz BXVZAJQXPYBVPL-AWEZNQCLSA-N 0 1 374.474 0.802 20 30 FCEDMN Cc1cc(NC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000567 1279215766 /nfs/dbraw/zinc/21/57/66/1279215766.db2.gz CMSNAHGTHHCUEO-UHFFFAOYSA-N 0 1 363.385 0.566 20 30 FCEDMN Cc1cc(NC[C@@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011151 1279237306 /nfs/dbraw/zinc/23/73/06/1279237306.db2.gz DFNSAOIIPFYHNI-LLVKDONJSA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cc(N[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581035979 1279271150 /nfs/dbraw/zinc/27/11/50/1279271150.db2.gz DVKIEEXEBJFARN-DRZSPHRISA-N 0 1 354.418 0.991 20 30 FCEDMN C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001716102326 1287371539 /nfs/dbraw/zinc/37/15/39/1287371539.db2.gz FORBAGASWAODRW-FRRDWIJNSA-N 0 1 357.252 0.499 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001581867362 1280622713 /nfs/dbraw/zinc/62/27/13/1280622713.db2.gz FQSZQBNKOIEOCN-KLPPZKSPSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)[nH]1 ZINC001581868393 1280624719 /nfs/dbraw/zinc/62/47/19/1280624719.db2.gz SKYMGPLIQQUCBS-GFCCVEGCSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1ccc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)s1 ZINC001581869538 1280626035 /nfs/dbraw/zinc/62/60/35/1280626035.db2.gz CYDQCFXFNFOKJH-JTQLQIEISA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[nH]n3)o1)C2 ZINC001581874625 1280629563 /nfs/dbraw/zinc/62/95/63/1280629563.db2.gz ZOZASTCZDHDCRV-GFCCVEGCSA-N 0 1 356.367 0.777 20 30 FCEDMN N#Cc1ncc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001581882028 1280641077 /nfs/dbraw/zinc/64/10/77/1280641077.db2.gz ITQTUPTUQNBGFB-LBPRGKRZSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1ncc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001581882868 1280643482 /nfs/dbraw/zinc/64/34/82/1280643482.db2.gz KEMADSRBVUVWKA-NSHDSACASA-N 0 1 355.406 0.441 20 30 FCEDMN N#Cc1ncc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581882174 1280644102 /nfs/dbraw/zinc/64/41/02/1280644102.db2.gz NYIQIAUKQWSPSQ-ZETCQYMHSA-N 0 1 367.295 0.033 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(C(=O)C3CCCC3)C2)nc1-c1nn[nH]n1 ZINC001581883251 1280646806 /nfs/dbraw/zinc/64/68/06/1280646806.db2.gz STKYRHDGFRFMSI-NSHDSACASA-N 0 1 353.390 0.731 20 30 FCEDMN N#Cc1ncc(NCCN2C(=O)COc3ccccc32)nc1-c1nn[nH]n1 ZINC001581883927 1280649015 /nfs/dbraw/zinc/64/90/15/1280649015.db2.gz CJHWUJCSDIBKAJ-UHFFFAOYSA-N 0 1 363.341 0.366 20 30 FCEDMN N#Cc1ncc(NC[C@H]2CCN(CC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581884419 1280651145 /nfs/dbraw/zinc/65/11/45/1280651145.db2.gz ZCYCBCDLLWNNHD-MRVPVSSYSA-N 0 1 353.312 0.824 20 30 FCEDMN C[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccc(C#N)cc1 ZINC001603631320 1287450017 /nfs/dbraw/zinc/45/00/17/1287450017.db2.gz YAPVXRVFEWUMKP-SNVBAGLBSA-N 0 1 352.362 0.390 20 30 FCEDMN CC(C)[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CC[NH+](C)CC1 ZINC001603721859 1287479218 /nfs/dbraw/zinc/47/92/18/1287479218.db2.gz FTRFWBHXDAIKRJ-HNNXBMFYSA-N 0 1 365.478 0.658 20 30 FCEDMN C#C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001588331468 1282422926 /nfs/dbraw/zinc/42/29/26/1282422926.db2.gz BEFQBMGAMBOVOO-SNVBAGLBSA-N 0 1 362.371 0.809 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588338469 1282430459 /nfs/dbraw/zinc/43/04/59/1282430459.db2.gz LOEUVGALCXGDHT-STQMWFEESA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588338509 1282431103 /nfs/dbraw/zinc/43/11/03/1282431103.db2.gz DGRRTYYPXFUEAB-SFHVURJKSA-N 0 1 366.429 0.889 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588339303 1282434386 /nfs/dbraw/zinc/43/43/86/1282434386.db2.gz NLKBTAWUBVGFFS-ZDUSSCGKSA-N 0 1 354.418 0.887 20 30 FCEDMN C#CCCCCC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588342880 1282439118 /nfs/dbraw/zinc/43/91/18/1282439118.db2.gz UOOWWLUZWQKWCS-ZDUSSCGKSA-N 0 1 356.434 0.825 20 30 FCEDMN C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN(CC#CC)CC1 ZINC001588348580 1282442766 /nfs/dbraw/zinc/44/27/66/1282442766.db2.gz CBUJHOMRWNIFGG-UHFFFAOYSA-N 0 1 351.414 0.758 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588354838 1282451481 /nfs/dbraw/zinc/45/14/81/1282451481.db2.gz AXMHSDQOCZRYKO-STQMWFEESA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588354989 1282451524 /nfs/dbraw/zinc/45/15/24/1282451524.db2.gz CVXGCCJVTYOTFF-CHWSQXEVSA-N 0 1 372.433 0.060 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588357744 1282466410 /nfs/dbraw/zinc/46/64/10/1282466410.db2.gz PWFFLVDDMBDTJH-ZDUSSCGKSA-N 0 1 354.414 0.453 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588358341 1282469249 /nfs/dbraw/zinc/46/92/49/1282469249.db2.gz QVZJSZHWZMADLA-KBPBESRZSA-N 0 1 369.429 0.585 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588359459 1282475019 /nfs/dbraw/zinc/47/50/19/1282475019.db2.gz OSWYKXZXHDUBHU-OAHLLOKOSA-N 0 1 372.404 0.736 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359653 1282476071 /nfs/dbraw/zinc/47/60/71/1282476071.db2.gz WBOLGKVRNSCARF-MLGOLLRUSA-N 0 1 369.429 0.291 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588361317 1282482927 /nfs/dbraw/zinc/48/29/27/1282482927.db2.gz JVQZPRJNBSFTSA-QGZVFWFLSA-N 0 1 368.441 0.987 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001588362120 1282486939 /nfs/dbraw/zinc/48/69/39/1282486939.db2.gz WLFNVDRIUXBZST-LBPRGKRZSA-N 0 1 360.443 0.659 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001588364471 1282491285 /nfs/dbraw/zinc/49/12/85/1282491285.db2.gz GLECMZNTGXCKLX-VXGBXAGGSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)cc1 ZINC001588370081 1282493240 /nfs/dbraw/zinc/49/32/40/1282493240.db2.gz MBSOTCMLYWWTGO-IUODEOHRSA-N 0 1 374.408 0.893 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588391910 1282497669 /nfs/dbraw/zinc/49/76/69/1282497669.db2.gz QYIYIYPGGWQVSB-LBPRGKRZSA-N 0 1 356.434 0.941 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001588391072 1282497960 /nfs/dbraw/zinc/49/79/60/1282497960.db2.gz DLSNTDYYTHOMMU-UHFFFAOYSA-N 0 1 359.434 0.519 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402763 1282499700 /nfs/dbraw/zinc/49/97/00/1282499700.db2.gz MSAHBERAXPOWEG-CHWSQXEVSA-N 0 1 374.449 0.969 20 30 FCEDMN C=C(C)[C@H](CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403228 1282500011 /nfs/dbraw/zinc/50/00/11/1282500011.db2.gz XQLVLCHORYSGRE-LBPRGKRZSA-N 0 1 360.422 0.580 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588448841 1282507531 /nfs/dbraw/zinc/50/75/31/1282507531.db2.gz GETZTNDNGGESQL-VXGBXAGGSA-N 0 1 354.418 0.694 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/CNc1ccncc1-c1nn[nH]n1 ZINC001588443501 1282508012 /nfs/dbraw/zinc/50/80/12/1282508012.db2.gz SORUBQUVRYCKSH-GJZCMGGKSA-N 0 1 369.429 0.749 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588468269 1282513711 /nfs/dbraw/zinc/51/37/11/1282513711.db2.gz JIVJJZGITMWQPP-UHFFFAOYSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588468456 1282513820 /nfs/dbraw/zinc/51/38/20/1282513820.db2.gz SXVNWAINUREGIL-LBPRGKRZSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588484521 1282520570 /nfs/dbraw/zinc/52/05/70/1282520570.db2.gz GNMCKZNLYMPZDB-GFCCVEGCSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588500143 1282530935 /nfs/dbraw/zinc/53/09/35/1282530935.db2.gz RLCBPABAOIIDHG-KRWDZBQOSA-N 0 1 372.433 0.056 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588500923 1282533316 /nfs/dbraw/zinc/53/33/16/1282533316.db2.gz GRALYIHDXMETGX-HOTGVXAUSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588503204 1282541212 /nfs/dbraw/zinc/54/12/12/1282541212.db2.gz XCVYRXPFJCVQFB-ZWKOTPCHSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588505277 1282547104 /nfs/dbraw/zinc/54/71/04/1282547104.db2.gz OQILHQIHVFAMPX-CYBMUJFWSA-N 0 1 371.854 0.856 20 30 FCEDMN C=CCCCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588586327 1282575929 /nfs/dbraw/zinc/57/59/29/1282575929.db2.gz GRPNHOWFJXLIDJ-GOSISDBHSA-N 0 1 371.445 0.984 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001588590413 1282578005 /nfs/dbraw/zinc/57/80/05/1282578005.db2.gz LXFZDXRCIISCTI-HZPDHXFCSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588608204 1282581700 /nfs/dbraw/zinc/58/17/00/1282581700.db2.gz HPEVZSQVEIHZGK-HSBZDZAISA-N 0 1 371.445 0.972 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588608560 1282584524 /nfs/dbraw/zinc/58/45/24/1282584524.db2.gz ODLCIYBVXHAMTN-GFCCVEGCSA-N 0 1 360.422 0.533 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608933 1282584792 /nfs/dbraw/zinc/58/47/92/1282584792.db2.gz SCYIWRVROZTIGK-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001588611471 1282589743 /nfs/dbraw/zinc/58/97/43/1282589743.db2.gz TYAWONLGBVVBES-DZGCQCFKSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588616109 1282594964 /nfs/dbraw/zinc/59/49/64/1282594964.db2.gz VVYZJMQEBAJBAW-HDJSIYSDSA-N 0 1 371.445 0.891 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616665 1282599590 /nfs/dbraw/zinc/59/95/90/1282599590.db2.gz LITMNGPMGFIYKG-CYBMUJFWSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCN1C(=O)c2ccc(C(=O)Nc3c[nH]nc3-c3nn[nH]n3)cc2C1=O ZINC001588654329 1282606057 /nfs/dbraw/zinc/60/60/57/1282606057.db2.gz DXOBAAPVDDBSPL-UHFFFAOYSA-N 0 1 364.325 0.624 20 30 FCEDMN C=CCOCC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001588665173 1282616993 /nfs/dbraw/zinc/61/69/93/1282616993.db2.gz GZZCSHNYUYDONX-MRXNPFEDSA-N 0 1 371.445 0.844 20 30 FCEDMN C=CCOCC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001588671926 1282627552 /nfs/dbraw/zinc/62/75/52/1282627552.db2.gz PTRBPZRSOFVPRV-ZDUSSCGKSA-N 0 1 372.433 0.368 20 30 FCEDMN C=CCOCC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588674362 1282632271 /nfs/dbraw/zinc/63/22/71/1282632271.db2.gz MZAYIGHAFWQSME-UHFFFAOYSA-N 0 1 356.390 0.112 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC(CC)CC1 ZINC001588708033 1282657425 /nfs/dbraw/zinc/65/74/25/1282657425.db2.gz BUFMLUAANAGRKF-UHFFFAOYSA-N 0 1 369.437 0.910 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588721917 1282669913 /nfs/dbraw/zinc/66/99/13/1282669913.db2.gz QGBQPVIUBFEGRA-UPJWGTAASA-N 0 1 370.417 0.333 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Nc1ccncc1-c1nn[nH]n1 ZINC001588724312 1282671640 /nfs/dbraw/zinc/67/16/40/1282671640.db2.gz YABOVWCFLGVVBC-JMSVASOKSA-N 0 1 357.418 0.581 20 30 FCEDMN CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588738206 1282678777 /nfs/dbraw/zinc/67/87/77/1282678777.db2.gz MGDREGGEUJXWMJ-ZDUSSCGKSA-N 0 1 372.433 0.106 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001588743394 1282683801 /nfs/dbraw/zinc/68/38/01/1282683801.db2.gz CNGCXTKUQAROTD-SJORKVTESA-N 0 1 368.441 0.722 20 30 FCEDMN C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588935970 1282731919 /nfs/dbraw/zinc/73/19/19/1282731919.db2.gz BVGTZLJRXOUWRW-MWLCHTKSSA-N 0 1 351.330 0.367 20 30 FCEDMN C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)n1cnc(-c2nn[nH]n2)n1 ZINC001588936580 1282733920 /nfs/dbraw/zinc/73/39/20/1282733920.db2.gz KTADHMSNAFQTOM-VHSXEESVSA-N 0 1 362.357 0.782 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001589068889 1282791951 /nfs/dbraw/zinc/79/19/51/1282791951.db2.gz ZEYIRMOCDSGOAL-CYBMUJFWSA-N 0 1 369.429 0.372 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001589387316 1282863420 /nfs/dbraw/zinc/86/34/20/1282863420.db2.gz KOEKKAHDCWJFHR-MJBXVCDLSA-N 0 1 366.429 0.790 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001589388122 1282865836 /nfs/dbraw/zinc/86/58/36/1282865836.db2.gz UUGNFOYMXUWAAX-GFCCVEGCSA-N 0 1 354.418 0.647 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589389501 1282866543 /nfs/dbraw/zinc/86/65/43/1282866543.db2.gz FWWJWOGFAWBUSD-QWHCGFSZSA-N 0 1 354.418 0.435 20 30 FCEDMN C[C@@H](CC#N)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001589788107 1283007750 /nfs/dbraw/zinc/00/77/50/1283007750.db2.gz SXWHHTUBEURIEQ-JTQLQIEISA-N 0 1 356.390 0.930 20 30 FCEDMN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590264749 1283388453 /nfs/dbraw/zinc/38/84/53/1283388453.db2.gz BHKIHGJUKBPWED-JSGCOSHPSA-N 0 1 366.429 0.389 20 30 FCEDMN CCc1nc(COC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001604556622 1287661028 /nfs/dbraw/zinc/66/10/28/1287661028.db2.gz BWAWLDNHBNPJII-LBPRGKRZSA-N 0 1 352.358 0.973 20 30 FCEDMN COCC#CCN1CC[C@@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@H]12 ZINC001591360463 1284496563 /nfs/dbraw/zinc/49/65/63/1284496563.db2.gz DCGRFMKEUDLXQS-YJBOKZPZSA-N 0 1 369.429 0.571 20 30 FCEDMN COc1cc(CNC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)ccc1C#N ZINC001591528542 1284715040 /nfs/dbraw/zinc/71/50/40/1284715040.db2.gz SWJZNIFOGDWSBM-VIFPVBQESA-N 0 1 353.346 0.216 20 30 FCEDMN COc1ccc([C@H](CO)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001591577975 1284747862 /nfs/dbraw/zinc/74/78/62/1284747862.db2.gz DUQQKRPRBMQUKS-NSHDSACASA-N 0 1 352.358 0.725 20 30 FCEDMN Cn1c(C#N)ccc1C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001592546074 1285453603 /nfs/dbraw/zinc/45/36/03/1285453603.db2.gz ICUSJMYSEAZVSO-UHFFFAOYSA-N 0 1 360.341 0.910 20 30 FCEDMN N#CCN1CCC(CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1 ZINC001592677893 1285571925 /nfs/dbraw/zinc/57/19/25/1285571925.db2.gz WBVGOQGRZBAAOZ-UHFFFAOYSA-N 0 1 367.460 0.442 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592678997 1285573979 /nfs/dbraw/zinc/57/39/79/1285573979.db2.gz CABSVGBPWACVFR-NSHDSACASA-N 0 1 373.446 0.389 20 30 FCEDMN N#CCOc1cccc(NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)c1 ZINC001592680783 1285578543 /nfs/dbraw/zinc/57/85/43/1285578543.db2.gz ZGPFAIWTISLZBC-UHFFFAOYSA-N 0 1 357.355 0.965 20 30 FCEDMN N#CCSCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592680816 1285578765 /nfs/dbraw/zinc/57/87/65/1285578765.db2.gz ZZYADODSDXWBGN-NSHDSACASA-N 0 1 373.446 0.128 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NCCCC1CCCCC1 ZINC001592682070 1285581371 /nfs/dbraw/zinc/58/13/71/1285581371.db2.gz OLMQQRMKCMCNOO-UHFFFAOYSA-N 0 1 357.422 0.994 20 30 FCEDMN N#Cc1ccc([C@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)cc1 ZINC001592692048 1285586748 /nfs/dbraw/zinc/58/67/48/1285586748.db2.gz PYRCIPJLJAXQKQ-CQSZACIVSA-N 0 1 359.353 0.978 20 30 FCEDMN N#Cc1ncc(NCc2nnc3ccc(Cl)cn32)nc1-c1nn[nH]n1 ZINC001592708720 1285593869 /nfs/dbraw/zinc/59/38/69/1285593869.db2.gz KYBYMTVMZPXPOV-UHFFFAOYSA-N 0 1 353.737 0.837 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001592768302 1285693393 /nfs/dbraw/zinc/69/33/93/1285693393.db2.gz HGIGVVLGQFBHLM-CVEARBPZSA-N 0 1 363.425 0.936 20 30 FCEDMN O=C(CC#Cc1ccccc1)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592803451 1285723689 /nfs/dbraw/zinc/72/36/89/1285723689.db2.gz WHWSSGXLJHJEHD-PLNGDYQASA-N 0 1 374.408 0.605 20 30 FCEDMN N#Cc1cn(CC(=O)NCC[N@@H+]2CCc3sccc3C2)c(=O)[n-]c1=O ZINC001597559122 1286351182 /nfs/dbraw/zinc/35/11/82/1286351182.db2.gz FVGOWIDJGYVEOR-UHFFFAOYSA-N 0 1 359.411 0.057 20 30 FCEDMN N#Cc1cn(CC(=O)NCC[N@H+]2CCc3sccc3C2)c(=O)[n-]c1=O ZINC001597559122 1286351188 /nfs/dbraw/zinc/35/11/88/1286351188.db2.gz FVGOWIDJGYVEOR-UHFFFAOYSA-N 0 1 359.411 0.057 20 30 FCEDMN N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001601129650 1286642521 /nfs/dbraw/zinc/64/25/21/1286642521.db2.gz MXBZEARVZZRFHY-LLVKDONJSA-N 0 1 350.400 0.614 20 30 FCEDMN N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001601129650 1286642531 /nfs/dbraw/zinc/64/25/31/1286642531.db2.gz MXBZEARVZZRFHY-LLVKDONJSA-N 0 1 350.400 0.614 20 30 FCEDMN C#CC[C@@]1(C(=O)NCC[N@H+](C)CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001602698570 1287062762 /nfs/dbraw/zinc/06/27/62/1287062762.db2.gz LNKQURUDGAAHBH-SFHVURJKSA-N 0 1 367.446 0.912 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001602724828 1287084685 /nfs/dbraw/zinc/08/46/85/1287084685.db2.gz HFRUXLZCULIBSM-ZDUSSCGKSA-N 0 1 369.429 0.775 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001602725810 1287086354 /nfs/dbraw/zinc/08/63/54/1287086354.db2.gz NCNMPLRNGVLCKC-QWHCGFSZSA-N 0 1 355.402 0.125 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001602770054 1287109054 /nfs/dbraw/zinc/10/90/54/1287109054.db2.gz SJGNQMXZUCVNTR-JSGCOSHPSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001602803975 1287122714 /nfs/dbraw/zinc/12/27/14/1287122714.db2.gz QQTJBAAZBVQOJY-JGGQBBKZSA-N 0 1 371.445 0.838 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602841340 1287130919 /nfs/dbraw/zinc/13/09/19/1287130919.db2.gz VBCGIGCFKKIXHQ-XJKCOSOUSA-N 0 1 371.445 0.924 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602841359 1287131517 /nfs/dbraw/zinc/13/15/17/1287131517.db2.gz VNGQGDXKPWVWJM-LLVKDONJSA-N 0 1 358.406 0.121 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602844169 1287133258 /nfs/dbraw/zinc/13/32/58/1287133258.db2.gz KXLSMNIYOUFRSI-ZDUSSCGKSA-N 0 1 372.433 0.534 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602866903 1287140201 /nfs/dbraw/zinc/14/02/01/1287140201.db2.gz PEYPKJSZWVSMNH-ABAIWWIYSA-N 0 1 357.418 0.453 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001602866653 1287140383 /nfs/dbraw/zinc/14/03/83/1287140383.db2.gz HMKFWOYBSHAHQX-RYUDHWBXSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCCC1(C)C ZINC001602879272 1287147920 /nfs/dbraw/zinc/14/79/20/1287147920.db2.gz FAWYKCPFLYBZIO-UHFFFAOYSA-N 0 1 355.410 0.663 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001602982981 1287173750 /nfs/dbraw/zinc/17/37/50/1287173750.db2.gz CQYNRGLDPBEABO-WDEREUQCSA-N 0 1 353.390 0.291 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001602982980 1287174084 /nfs/dbraw/zinc/17/40/84/1287174084.db2.gz CQYNRGLDPBEABO-QWRGUYRKSA-N 0 1 353.390 0.291 20 30 FCEDMN C[C@H](C#N)C(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001602983730 1287174612 /nfs/dbraw/zinc/17/46/12/1287174612.db2.gz NHQUEJWIVHMOGX-GFCCVEGCSA-N 0 1 369.433 0.414 20 30 FCEDMN C[C@H](C#N)C(=O)NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602982942 1287174808 /nfs/dbraw/zinc/17/48/08/1287174808.db2.gz BGYOBEVOBYKQPU-LLVKDONJSA-N 0 1 353.390 0.459 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001603051355 1287198479 /nfs/dbraw/zinc/19/84/79/1287198479.db2.gz HWIFEDMUBGCGAH-SFHVURJKSA-N 0 1 368.445 0.825 20 30 FCEDMN Cc1cc(NC[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605727218 1288063433 /nfs/dbraw/zinc/06/34/33/1288063433.db2.gz UZUNZQUCLSUFKM-SNVBAGLBSA-N 0 1 365.401 0.670 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001609445858 1289155802 /nfs/dbraw/zinc/15/58/02/1289155802.db2.gz XVBVLKVJNJTPBQ-UHFFFAOYSA-N 0 1 371.292 0.929 20 30 FCEDMN N#Cc1ncc(N2CCN(c3cc(Cl)ccn3)CC2)nc1-c1nn[nH]n1 ZINC001606397347 1288287042 /nfs/dbraw/zinc/28/70/42/1288287042.db2.gz ONTJBALDWIRPEU-UHFFFAOYSA-N 0 1 368.792 0.903 20 30 FCEDMN COC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C(=O)[O-] ZINC001606425968 1288307756 /nfs/dbraw/zinc/30/77/56/1288307756.db2.gz OYYBQDCELKWSEZ-OLZOCXBDSA-N 0 1 351.403 0.477 20 30 FCEDMN COC(=O)[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001606425590 1288308153 /nfs/dbraw/zinc/30/81/53/1288308153.db2.gz LLSAVHVKVGZSSW-ZNMIVQPWSA-N 0 1 357.366 0.469 20 30 FCEDMN CO[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@](C)(C(=O)[O-])C1 ZINC001606771171 1288505481 /nfs/dbraw/zinc/50/54/81/1288505481.db2.gz LOFVRESUFNLBGA-CZUORRHYSA-N 0 1 352.412 0.896 20 30 FCEDMN CO[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@](C)(C(=O)[O-])C1 ZINC001606771171 1288505482 /nfs/dbraw/zinc/50/54/82/1288505482.db2.gz LOFVRESUFNLBGA-CZUORRHYSA-N 0 1 352.412 0.896 20 30 FCEDMN COc1cc(C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1C#N ZINC001607072672 1288645181 /nfs/dbraw/zinc/64/51/81/1288645181.db2.gz VBFWUQKWNBFGFU-SFHVURJKSA-N 0 1 359.382 0.568 20 30 FCEDMN C#CCC[C@H](O)CNC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001609019764 1288882735 /nfs/dbraw/zinc/88/27/35/1288882735.db2.gz FZDRJBADKNBFTR-ZDUSSCGKSA-N 0 1 373.417 0.270 20 30 FCEDMN C#CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001609076802 1288907602 /nfs/dbraw/zinc/90/76/02/1288907602.db2.gz YMEUSNZWSDCGAI-DOTOQJQBSA-N 0 1 371.437 0.875 20 30 FCEDMN C#CC[C@@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001609076802 1288907612 /nfs/dbraw/zinc/90/76/12/1288907612.db2.gz YMEUSNZWSDCGAI-DOTOQJQBSA-N 0 1 371.437 0.875 20 30 FCEDMN N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCN1CC=CCC1 ZINC001609493624 1289178713 /nfs/dbraw/zinc/17/87/13/1289178713.db2.gz PTXWVQJHAKUKQH-MRXNPFEDSA-N 0 1 351.414 0.927 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001609496819 1289180062 /nfs/dbraw/zinc/18/00/62/1289180062.db2.gz IJHMERPLLHRNGI-LLVKDONJSA-N 0 1 350.342 0.055 20 30 FCEDMN CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC001609650990 1289274129 /nfs/dbraw/zinc/27/41/29/1289274129.db2.gz CYKMTRMOZRFUND-UHFFFAOYSA-N 0 1 355.391 0.867 20 30 FCEDMN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC001609735361 1289287525 /nfs/dbraw/zinc/28/75/25/1289287525.db2.gz WOSVKCOCKHVLOB-CYBMUJFWSA-N 0 1 351.428 0.869 20 30 FCEDMN C[C@@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)c1ccc(C#N)cc1 ZINC001609756285 1289290965 /nfs/dbraw/zinc/29/09/65/1289290965.db2.gz CEKMWFBQSVYWGY-ZIAGYGMSSA-N 0 1 372.425 0.743 20 30 FCEDMN C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccc(C#N)cc1 ZINC001609756285 1289290966 /nfs/dbraw/zinc/29/09/66/1289290966.db2.gz CEKMWFBQSVYWGY-ZIAGYGMSSA-N 0 1 372.425 0.743 20 30 FCEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC001609868537 1289319683 /nfs/dbraw/zinc/31/96/83/1289319683.db2.gz RCFRDSLTXLQLRD-LLVKDONJSA-N 0 1 362.361 0.643 20 30 FCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC001609868537 1289319690 /nfs/dbraw/zinc/31/96/90/1289319690.db2.gz RCFRDSLTXLQLRD-LLVKDONJSA-N 0 1 362.361 0.643 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1c1cnn(C)c1 ZINC001691981786 1289357519 /nfs/dbraw/zinc/35/75/19/1289357519.db2.gz FQPLBVLQEVVFCP-JKSUJKDBSA-N 0 1 356.430 0.299 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)C[C@@H]2C1 ZINC001692064739 1289383307 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ZINC001044515504 1217851930 /nfs/dbraw/zinc/85/19/30/1217851930.db2.gz OZLGMUHOPBQDLL-IMJJTQAJSA-N 0 1 366.425 0.771 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H](NC(=O)[C@@H]3CCCc4[nH]cnc43)[C@@H](O)C2)n1 ZINC001044516014 1217852044 /nfs/dbraw/zinc/85/20/44/1217852044.db2.gz VGLDBVWIEFJQQB-YUELXQCFSA-N 0 1 367.413 0.166 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)C4=NC(=O)N(C)C4)C[C@@H]32)n1 ZINC001045206676 1217911844 /nfs/dbraw/zinc/91/18/44/1217911844.db2.gz OIHJJPVTAIFTPM-WFASDCNBSA-N 0 1 367.413 0.837 20 30 FCEDMN N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)CCc3c[nH]nn3)C[C@@H]21 ZINC001045231468 1217913613 /nfs/dbraw/zinc/91/36/13/1217913613.db2.gz OMUQZDXIOAXGDX-WFASDCNBSA-N 0 1 352.402 0.526 20 30 FCEDMN N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@@H]21 ZINC001045231468 1217913618 /nfs/dbraw/zinc/91/36/18/1217913618.db2.gz OMUQZDXIOAXGDX-WFASDCNBSA-N 0 1 352.402 0.526 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCc3[nH]nnc3C2)n1 ZINC001045537810 1217938249 /nfs/dbraw/zinc/93/82/49/1217938249.db2.gz SHFHXMRRZAUGAL-YNEHKIRRSA-N 0 1 366.429 0.533 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCc3nn[nH]c3C2)n1 ZINC001045537810 1217938251 /nfs/dbraw/zinc/93/82/51/1217938251.db2.gz SHFHXMRRZAUGAL-YNEHKIRRSA-N 0 1 366.429 0.533 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCc3n[nH]nc32)n1 ZINC001045726555 1217950803 /nfs/dbraw/zinc/95/08/03/1217950803.db2.gz IHCSEKHIIHBSAG-JHJVBQTASA-N 0 1 366.429 0.848 20 30 FCEDMN C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)nn1 ZINC001096126420 1218074436 /nfs/dbraw/zinc/07/44/36/1218074436.db2.gz DGTRLFDMISWBLW-AIANPOQGSA-N 0 1 371.445 0.057 20 30 FCEDMN N#Cc1cncc(N2C[C@@H](c3ccccc3)[C@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001047156098 1218118485 /nfs/dbraw/zinc/11/84/85/1218118485.db2.gz HMGHIPWJEUIVRA-GOEBONIOSA-N 0 1 360.381 0.869 20 30 FCEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001047385701 1218136892 /nfs/dbraw/zinc/13/68/92/1218136892.db2.gz WXJPTMUOXUBPNG-OWSLCNJRSA-N 0 1 362.474 0.447 20 30 FCEDMN C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC001096191233 1218150693 /nfs/dbraw/zinc/15/06/93/1218150693.db2.gz QUCFAFHXKJSTAU-SNPRPXQTSA-N 0 1 356.430 0.759 20 30 FCEDMN CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001047955544 1218205714 /nfs/dbraw/zinc/20/57/14/1218205714.db2.gz INHNVBUJTDQKHZ-TZMCWYRMSA-N 0 1 355.402 0.011 20 30 FCEDMN Cn1cc(CN2C[C@@H]3CCN(C(=O)c4ccn[nH]c4=O)[C@@H]3C2)cc1C#N ZINC001277038581 1225809135 /nfs/dbraw/zinc/80/91/35/1225809135.db2.gz YQHLSPAOFCZBHK-XJKSGUPXSA-N 0 1 352.398 0.739 20 30 FCEDMN CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H]2CC)n1 ZINC001048815593 1218319265 /nfs/dbraw/zinc/31/92/65/1218319265.db2.gz MXYRZDLOWZEOMI-QWHCGFSZSA-N 0 1 354.418 0.745 20 30 FCEDMN N#Cc1ccc(CN2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)cc1F ZINC001049060428 1218369578 /nfs/dbraw/zinc/36/95/78/1218369578.db2.gz CZKBTYAAPURWER-QXSJWSMHSA-N 0 1 356.401 0.709 20 30 FCEDMN CN(C)C(=O)CN1CC[C@]2(C1)CCCN(C(=O)c1cnc(C#N)cn1)C2 ZINC001277061442 1225818289 /nfs/dbraw/zinc/81/82/89/1225818289.db2.gz QEKFOCQSJZPIPA-SFHVURJKSA-N 0 1 356.430 0.365 20 30 FCEDMN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(OC)n1 ZINC001225789115 1225824158 /nfs/dbraw/zinc/82/41/58/1225824158.db2.gz OEVFJRYKDNNLHR-HUUCEWRRSA-N 0 1 359.430 0.142 20 30 FCEDMN N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CCc4c[nH]nn4)C[C@@H]3C2)n1 ZINC001049673547 1218516580 /nfs/dbraw/zinc/51/65/80/1218516580.db2.gz WQSCTBQWOYTIKB-OLZOCXBDSA-N 0 1 352.402 0.384 20 30 FCEDMN N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CCc4cnn[nH]4)C[C@@H]3C2)n1 ZINC001049673547 1218516587 /nfs/dbraw/zinc/51/65/87/1218516587.db2.gz WQSCTBQWOYTIKB-OLZOCXBDSA-N 0 1 352.402 0.384 20 30 FCEDMN N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CCc4cnc[nH]4)C[C@@H]3C2)n1 ZINC001049742133 1218543163 /nfs/dbraw/zinc/54/31/63/1218543163.db2.gz YYGJBYAXBUBMCC-KGLIPLIRSA-N 0 1 351.414 0.989 20 30 FCEDMN N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001049741791 1218544221 /nfs/dbraw/zinc/54/42/21/1218544221.db2.gz QZDQTUORQRAGEW-KGLIPLIRSA-N 0 1 351.414 0.989 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C)no1 ZINC001226186514 1225835593 /nfs/dbraw/zinc/83/55/93/1225835593.db2.gz BACQEALHHWYJAE-RRFJBIMHSA-N 0 1 362.430 0.977 20 30 FCEDMN N#CCOc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2COC(=O)N2)C3)cc1 ZINC001097026399 1218664290 /nfs/dbraw/zinc/66/42/90/1218664290.db2.gz JIQFIXNMLURVMD-SIXLDLHFSA-N 0 1 370.409 0.919 20 30 FCEDMN N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3CC[C@H](O)C3)C2=O)cc1 ZINC001226110535 1225834013 /nfs/dbraw/zinc/83/40/13/1225834013.db2.gz FTQBYXYOXJOPSH-DLBZAZTESA-N 0 1 371.441 0.419 20 30 FCEDMN C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001226267352 1225838231 /nfs/dbraw/zinc/83/82/31/1225838231.db2.gz HJMBSKWBBQKUKA-KBRIMQKVSA-N 0 1 357.458 0.596 20 30 FCEDMN CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3[O-])C2)C1=O ZINC001277129880 1225844234 /nfs/dbraw/zinc/84/42/34/1225844234.db2.gz GMRQUDCVODJLII-HNAYVOBHSA-N 0 1 356.426 0.952 20 30 FCEDMN CN(C)Cc1ccnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000748743869 1218817736 /nfs/dbraw/zinc/81/77/36/1218817736.db2.gz QDNVFDHPTWRYSK-UHFFFAOYSA-N 0 1 373.438 0.820 20 30 FCEDMN Cn1cnc([C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2Nc2cncc(C#N)n2)c1 ZINC001052681111 1218855409 /nfs/dbraw/zinc/85/54/09/1218855409.db2.gz IBDHXONMLQSDMR-SWLSCSKDSA-N 0 1 363.385 0.525 20 30 FCEDMN C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001053139377 1218874000 /nfs/dbraw/zinc/87/40/00/1218874000.db2.gz WNZKGRMYEWHTKL-JHJVBQTASA-N 0 1 366.429 0.775 20 30 FCEDMN N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C3)cc1 ZINC001097943162 1218929041 /nfs/dbraw/zinc/92/90/41/1218929041.db2.gz XGZIIKWXXYIIDW-WCVJEAGWSA-N 0 1 367.409 0.378 20 30 FCEDMN N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCc4[nH]nnc4C2)C3)nn1 ZINC001055067171 1218987254 /nfs/dbraw/zinc/98/72/54/1218987254.db2.gz YBKVIFSUUGEQHC-VVBGDLBDSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1ccc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCc4nn[nH]c4C2)C3)nn1 ZINC001055067171 1218987257 /nfs/dbraw/zinc/98/72/57/1218987257.db2.gz YBKVIFSUUGEQHC-VVBGDLBDSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCc4[nH]nnc4C2)C3)cn1 ZINC001055066277 1218987395 /nfs/dbraw/zinc/98/73/95/1218987395.db2.gz CCPDFSXKRCASFU-RPCMGYBJSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCc4nn[nH]c4C2)C3)cn1 ZINC001055066277 1218987401 /nfs/dbraw/zinc/98/74/01/1218987401.db2.gz CCPDFSXKRCASFU-RPCMGYBJSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3n[nH]nc31)C2 ZINC001055177515 1219009495 /nfs/dbraw/zinc/00/94/95/1219009495.db2.gz JHYNAEJZGMQDEA-MPXAEWJHSA-N 0 1 364.413 0.812 20 30 FCEDMN N#Cc1nccc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)n1 ZINC001055438780 1219048261 /nfs/dbraw/zinc/04/82/61/1219048261.db2.gz UNHHESNOZBNXJR-WVWOOGAGSA-N 0 1 364.413 0.812 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC1CCN(CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055586860 1219088997 /nfs/dbraw/zinc/08/89/97/1219088997.db2.gz HBWBXHUAJHSVTC-JVPBZIDWSA-N 0 1 365.474 0.047 20 30 FCEDMN C=CCO[C@@H](C)C(=O)NCCN1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055593546 1219093079 /nfs/dbraw/zinc/09/30/79/1219093079.db2.gz LCUYVPSBPUCQIL-HLLBOEOZSA-N 0 1 367.490 0.842 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070063081 1219126075 /nfs/dbraw/zinc/12/60/75/1219126075.db2.gz STQKYONDSHCRIA-CABCVRRESA-N 0 1 357.418 0.086 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](n2ccnn2)C1 ZINC001070069690 1219133834 /nfs/dbraw/zinc/13/38/34/1219133834.db2.gz UAWBPPMVUNQPQS-CABCVRRESA-N 0 1 357.418 0.698 20 30 FCEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](n2ccnn2)C1 ZINC001070075286 1219143184 /nfs/dbraw/zinc/14/31/84/1219143184.db2.gz VNLHDVOLJJKALT-NEPJUHHUSA-N 0 1 355.358 0.361 20 30 FCEDMN C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](n2ccnn2)C1 ZINC001070075286 1219143188 /nfs/dbraw/zinc/14/31/88/1219143188.db2.gz VNLHDVOLJJKALT-NEPJUHHUSA-N 0 1 355.358 0.361 20 30 FCEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](n2ccnn2)C1 ZINC001070075076 1219143363 /nfs/dbraw/zinc/14/33/63/1219143363.db2.gz PSSZGYVXSPXLLS-OLZOCXBDSA-N 0 1 367.369 0.199 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H](n2ccnn2)C1 ZINC001070084779 1219153902 /nfs/dbraw/zinc/15/39/02/1219153902.db2.gz VMEBXXYQIKVKNK-WBVHZDCISA-N 0 1 366.429 0.791 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](n2ccnn2)C1 ZINC001070086560 1219155846 /nfs/dbraw/zinc/15/58/46/1219155846.db2.gz AEQXFHLLPSUWST-KGLIPLIRSA-N 0 1 367.417 0.256 20 30 FCEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001070089017 1219159080 /nfs/dbraw/zinc/15/90/80/1219159080.db2.gz RUINRUHYVQCCMX-IPELMVKDSA-N 0 1 367.453 0.879 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)Cc2ccccc2OC)[C@@H](n2ccnn2)C1 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C#CCN(C(=O)C1CCC1)C1CCN(C(=O)[C@H](C)OCc2c[nH]nn2)CC1 ZINC001574895133 1271656388 /nfs/dbraw/zinc/65/63/88/1271656388.db2.gz PBDPHSUSDDHLAI-AWEZNQCLSA-N 0 1 373.457 0.963 20 30 FCEDMN C#CCN(Cc1c[nH]nn1)c1nnc(CC2CC2)n1C[C@H]1CCC(=O)N1 ZINC001574967894 1271686081 /nfs/dbraw/zinc/68/60/81/1271686081.db2.gz ZGPOQAHMPXANRN-CYBMUJFWSA-N 0 1 354.418 0.267 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001575004741 1271690684 /nfs/dbraw/zinc/69/06/84/1271690684.db2.gz KUBRBYRDFWONPZ-CYBMUJFWSA-N 0 1 359.430 0.225 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001575004741 1271690689 /nfs/dbraw/zinc/69/06/89/1271690689.db2.gz KUBRBYRDFWONPZ-CYBMUJFWSA-N 0 1 359.430 0.225 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575004979 1271690849 /nfs/dbraw/zinc/69/08/49/1271690849.db2.gz RBHKWMWWIVRMOM-CHWSQXEVSA-N 0 1 370.413 0.482 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575013615 1271694261 /nfs/dbraw/zinc/69/42/61/1271694261.db2.gz SHWVCTGIYIHTFU-GFCCVEGCSA-N 0 1 356.386 0.141 20 30 FCEDMN C#CCOCCC(=O)NCCN(CC)C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575013059 1271694583 /nfs/dbraw/zinc/69/45/83/1271694583.db2.gz KHCMZUHZNUOXCT-UHFFFAOYSA-N 0 1 370.413 0.485 20 30 FCEDMN C=C(C)CCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575049313 1271699564 /nfs/dbraw/zinc/69/95/64/1271699564.db2.gz KDPMRDIPBDNQFB-ZBFHGGJFSA-N 0 1 362.478 0.994 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575053869 1271701218 /nfs/dbraw/zinc/70/12/18/1271701218.db2.gz LRIDLZUOHRKTNT-RDJZCZTQSA-N 0 1 361.446 0.683 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575053869 1271701223 /nfs/dbraw/zinc/70/12/23/1271701223.db2.gz LRIDLZUOHRKTNT-RDJZCZTQSA-N 0 1 361.446 0.683 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@@H](CC)NC(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001575058851 1271703408 /nfs/dbraw/zinc/70/34/08/1271703408.db2.gz GLRNAZVZWQSSHM-GFCCVEGCSA-N 0 1 362.434 0.178 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575066720 1271705843 /nfs/dbraw/zinc/70/58/43/1271705843.db2.gz WGVBHFZQKLJDMW-PXAZEXFGSA-N 0 1 365.434 0.002 20 30 FCEDMN C=CC(C)(C)CC(=O)N[C@H]1CN(CC(=O)NCc2c[nH]nn2)CC1(C)C ZINC001575066163 1271706876 /nfs/dbraw/zinc/70/68/76/1271706876.db2.gz PQFHXNJOKKVZKM-AWEZNQCLSA-N 0 1 362.478 0.850 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NCC[C@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001575072193 1271708217 /nfs/dbraw/zinc/70/82/17/1271708217.db2.gz HKPNSFOZVIPGEA-HOCLYGCPSA-N 0 1 369.491 0.512 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)CCCCCc2cn[nH]n2)CC1 ZINC001575073420 1271709293 /nfs/dbraw/zinc/70/92/93/1271709293.db2.gz PILKVDJHYMWRCD-GOSISDBHSA-N 0 1 363.462 0.906 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575073640 1271709557 /nfs/dbraw/zinc/70/95/57/1271709557.db2.gz QVKIGRHOCVMTBJ-QFBILLFUSA-N 0 1 374.489 0.946 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CCCN([C@@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001575073508 1271710046 /nfs/dbraw/zinc/71/00/46/1271710046.db2.gz QROQCSGZBROVOK-KBXCAEBGSA-N 0 1 362.478 0.946 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575073639 1271710851 /nfs/dbraw/zinc/71/08/51/1271710851.db2.gz QVKIGRHOCVMTBJ-LPHOPBHVSA-N 0 1 374.489 0.946 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575075712 1271712558 /nfs/dbraw/zinc/71/25/58/1271712558.db2.gz VFDNCBGHJODPHD-SNUQEOBHSA-N 0 1 370.413 0.571 20 30 FCEDMN C=CCC1(C(=O)N[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)CCCC1 ZINC001575085863 1271714067 /nfs/dbraw/zinc/71/40/67/1271714067.db2.gz RCZJDZCWDOHEPT-AWEZNQCLSA-N 0 1 360.462 0.748 20 30 FCEDMN C=CCCC(=O)N(C)CCCNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575086384 1271715428 /nfs/dbraw/zinc/71/54/28/1271715428.db2.gz UVENPQWQKXTUFM-UHFFFAOYSA-N 0 1 362.478 0.948 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(CCc2cn[nH]n2)CCCO1 ZINC001575100866 1271718742 /nfs/dbraw/zinc/71/87/42/1271718742.db2.gz XYQNWEKJPGXDRX-HOCLYGCPSA-N 0 1 351.451 0.536 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575110283 1271724373 /nfs/dbraw/zinc/72/43/73/1271724373.db2.gz MJMIRWDGTCHGJU-OLZOCXBDSA-N 0 1 351.407 0.020 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001575111995 1271726875 /nfs/dbraw/zinc/72/68/75/1271726875.db2.gz MBHRCVQDMMTHIU-KRWDZBQOSA-N 0 1 372.433 0.326 20 30 FCEDMN C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001575111995 1271726882 /nfs/dbraw/zinc/72/68/82/1271726882.db2.gz MBHRCVQDMMTHIU-KRWDZBQOSA-N 0 1 372.433 0.326 20 30 FCEDMN CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575117318 1271731749 /nfs/dbraw/zinc/73/17/49/1271731749.db2.gz LJMGWYLOOMYODJ-SOUVJXGZSA-N 0 1 361.446 0.914 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(CC(C)C)n1C[C@]1(O)CCOC1 ZINC001575121887 1271732822 /nfs/dbraw/zinc/73/28/22/1271732822.db2.gz PHKXPDDRSPCJBD-GOSISDBHSA-N 0 1 373.461 0.776 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C1CN(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC001575167008 1271760140 /nfs/dbraw/zinc/76/01/40/1271760140.db2.gz HRFQMEZDNUKFGQ-LBPRGKRZSA-N 0 1 367.413 0.712 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575176066 1271762989 /nfs/dbraw/zinc/76/29/89/1271762989.db2.gz DMMHWGOMLAJJCO-WCQYABFASA-N 0 1 353.386 0.747 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)C[C@@H]2CCCO2)CC1 ZINC001575175981 1271763111 /nfs/dbraw/zinc/76/31/11/1271763111.db2.gz CMJNFFAVBGHBDX-CJNGLKHVSA-N 0 1 374.445 0.853 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cncc(-c4cn[nH]n4)c3)C[C@H]21 ZINC001575177391 1271766734 /nfs/dbraw/zinc/76/67/34/1271766734.db2.gz KYCBHYNIWAQHAI-QZKOUSHUSA-N 0 1 365.397 0.461 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@H](NC(=O)CCOCc1c[nH]nn1)C(C)(C)C ZINC001575179407 1271769489 /nfs/dbraw/zinc/76/94/89/1271769489.db2.gz UUZPXYZCICHOCB-DGCLKSJQSA-N 0 1 350.423 0.518 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N[C@@H]2CNC[C@@H]2C#N)C1 ZINC001575201765 1271782430 /nfs/dbraw/zinc/78/24/30/1271782430.db2.gz JXEGQSGDWAIKGR-UYAYXHRUSA-N 0 1 364.446 0.488 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1O ZINC001575253781 1271854161 /nfs/dbraw/zinc/85/41/61/1271854161.db2.gz WWEONYNBURQODC-CABCVRRESA-N 0 1 361.446 0.255 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575318555 1271917416 /nfs/dbraw/zinc/91/74/16/1271917416.db2.gz LPSQAPGQRWNPEA-GDBMZVCRSA-N 0 1 358.446 0.003 20 30 FCEDMN C[C@@H](O)CNC(=O)c1cccc(Oc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001575482783 1272153709 /nfs/dbraw/zinc/15/37/09/1272153709.db2.gz UYTRMEILBSZKSB-SECBINFHSA-N 0 1 366.341 0.431 20 30 FCEDMN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NC(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001575556785 1272195425 /nfs/dbraw/zinc/19/54/25/1272195425.db2.gz STMPRBVQFRQODT-LBPRGKRZSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001575556785 1272195426 /nfs/dbraw/zinc/19/54/26/1272195426.db2.gz STMPRBVQFRQODT-LBPRGKRZSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@]1(CNC(=O)C#CC2CC2)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575769903 1272426450 /nfs/dbraw/zinc/42/64/50/1272426450.db2.gz MHMPYOBCISPFJI-GOSISDBHSA-N 0 1 366.429 0.793 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@](C)(CNc1ccncc1C#N)C1CC1 ZINC001575838796 1272509385 /nfs/dbraw/zinc/50/93/85/1272509385.db2.gz GIBJETTTWIBJPK-KZULUSFZSA-N 0 1 369.429 0.795 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001575845855 1272520335 /nfs/dbraw/zinc/52/03/35/1272520335.db2.gz GDULVNPWOGFDHW-NSHDSACASA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001575849165 1272524051 /nfs/dbraw/zinc/52/40/51/1272524051.db2.gz XSUGNAMLYAXNMZ-RYUDHWBXSA-N 0 1 356.390 0.157 20 30 FCEDMN CC(C)[C@H](CNC(=O)[C@H](C)OCc1c[nH]nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001575851743 1272525465 /nfs/dbraw/zinc/52/54/65/1272525465.db2.gz DRCBYSNMAHOJMB-NHYWBVRUSA-N 0 1 373.417 0.480 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC1CC(Nc2ccncc2C#N)C1 ZINC001575859391 1272533496 /nfs/dbraw/zinc/53/34/96/1272533496.db2.gz YGBLRUAYGCGRSY-LKSINWNRSA-N 0 1 355.402 0.405 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC001575862445 1272534217 /nfs/dbraw/zinc/53/42/17/1272534217.db2.gz KJJKYBBTEGMRKR-RISCZKNCSA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1c2ccccc2CCN1CC#N ZINC001575864322 1272536183 /nfs/dbraw/zinc/53/61/83/1272536183.db2.gz VYGMAHSRGQECRE-CXAGYDPISA-N 0 1 354.414 0.949 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001575876980 1272541806 /nfs/dbraw/zinc/54/18/06/1272541806.db2.gz LJUAXWXKNIVOCO-BBRMVZONSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nc2)C1 ZINC001575879090 1272542976 /nfs/dbraw/zinc/54/29/76/1272542976.db2.gz XHMLNAZEOFGATG-TZMCWYRMSA-N 0 1 355.402 0.762 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCCN(C)c1nc(Cl)c(C#N)s1 ZINC001575879318 1272543932 /nfs/dbraw/zinc/54/39/32/1272543932.db2.gz VOWKTUSNYUDGMY-QMMMGPOBSA-N 0 1 369.838 0.944 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC001575890691 1272552099 /nfs/dbraw/zinc/55/20/99/1272552099.db2.gz YQQMTHGMPDDJPX-SRMUXQRQSA-N 0 1 357.414 0.371 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576049303 1272778138 /nfs/dbraw/zinc/77/81/38/1272778138.db2.gz ZYAONWDQHGLRBX-DGCLKSJQSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576051787 1272781871 /nfs/dbraw/zinc/78/18/71/1272781871.db2.gz IPRRKOKUXPCZJE-GWCFXTLKSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCCc1c[nH]nn1 ZINC001576130433 1272930143 /nfs/dbraw/zinc/93/01/43/1272930143.db2.gz IVVXWNOWTBRKGD-NHYWBVRUSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCCc1cnn[nH]1 ZINC001576130433 1272930148 /nfs/dbraw/zinc/93/01/48/1272930148.db2.gz IVVXWNOWTBRKGD-NHYWBVRUSA-N 0 1 355.402 0.604 20 30 FCEDMN CCN(CCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1ccc(C#N)nc1 ZINC001576536825 1273423067 /nfs/dbraw/zinc/42/30/67/1273423067.db2.gz SILVEYAOMUBKRL-KRWDZBQOSA-N 0 1 368.445 0.678 20 30 FCEDMN CN(C(=O)C#CC1CC1)[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001576713911 1273583175 /nfs/dbraw/zinc/58/31/75/1273583175.db2.gz XRKACIQUBRKWQI-HNNXBMFYSA-N 0 1 364.409 0.953 20 30 FCEDMN CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)CCCc1c[nH]nn1 ZINC001576799072 1273705431 /nfs/dbraw/zinc/70/54/31/1273705431.db2.gz QIAFTALJOARWOH-UHFFFAOYSA-N 0 1 357.418 0.948 20 30 FCEDMN CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)CCCc1cnn[nH]1 ZINC001576799072 1273705438 /nfs/dbraw/zinc/70/54/38/1273705438.db2.gz QIAFTALJOARWOH-UHFFFAOYSA-N 0 1 357.418 0.948 20 30 FCEDMN COCCN(CC#N)C1CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001576999238 1274032770 /nfs/dbraw/zinc/03/27/70/1274032770.db2.gz HICCSSJUEWRJGR-UHFFFAOYSA-N 0 1 350.423 0.174 20 30 FCEDMN COCCN(Cc1ccn(Cc2cn[nH]n2)n1)c1cnc(C#N)c(C#N)n1 ZINC001577002670 1274037268 /nfs/dbraw/zinc/03/72/68/1274037268.db2.gz SBUYTTZWNQQBLZ-UHFFFAOYSA-N 0 1 364.373 0.236 20 30 FCEDMN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCOCc1c[nH]nn1 ZINC001577162576 1274208609 /nfs/dbraw/zinc/20/86/09/1274208609.db2.gz XPGKCNUIMDYGHE-IAQYHMDHSA-N 0 1 371.401 0.188 20 30 FCEDMN C[C@H](NC(=O)C#CC1CC1)C1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577202880 1274248767 /nfs/dbraw/zinc/24/87/67/1274248767.db2.gz UKNDLJZYZZCEBU-ZDUSSCGKSA-N 0 1 358.446 0.051 20 30 FCEDMN Cc1nc[nH]c1C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](C)C#N)CC1 ZINC001577219561 1274258154 /nfs/dbraw/zinc/25/81/54/1274258154.db2.gz LPRCASHXEBRGRP-NSHDSACASA-N 0 1 370.417 0.629 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2Cc2c[nH]nn2)c1 ZINC001577710000 1274769502 /nfs/dbraw/zinc/76/95/02/1274769502.db2.gz LSBUHQYBRWQWEC-FAYQHZLMSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)CCCCc3cn[nH]n3)C2)c[nH]1 ZINC001577712129 1274771367 /nfs/dbraw/zinc/77/13/67/1274771367.db2.gz BLRBFOQRQRCHAH-CQSZACIVSA-N 0 1 355.402 0.748 20 30 FCEDMN N#CCSCC(=O)NCC1(NC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001577710383 1274771447 /nfs/dbraw/zinc/77/14/47/1274771447.db2.gz ZQNHFKAXYPKKOM-UHFFFAOYSA-N 0 1 371.426 0.502 20 30 FCEDMN N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(Cc3c[nH]nn3)C2)c[nH]1 ZINC001577712653 1274775187 /nfs/dbraw/zinc/77/51/87/1274775187.db2.gz UMYSGKZTPNQVKJ-SPOWBLRKSA-N 0 1 351.414 0.987 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCCN(C(=O)CCCCc3cn[nH]n3)C2)n1 ZINC001577719195 1274781444 /nfs/dbraw/zinc/78/14/44/1274781444.db2.gz MCGPUBDJNFRPCU-CQSZACIVSA-N 0 1 354.418 0.704 20 30 FCEDMN N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)[C@@H]2C1 ZINC001577719324 1274781459 /nfs/dbraw/zinc/78/14/59/1274781459.db2.gz PYNYGTNPEJNXNK-SWLSCSKDSA-N 0 1 368.401 0.110 20 30 FCEDMN N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3c[nH]nn3)nc2)n1 ZINC001577719446 1274781787 /nfs/dbraw/zinc/78/17/87/1274781787.db2.gz SCGXWGGEFIDLSV-PBKGOJFUSA-N 0 1 373.380 0.393 20 30 FCEDMN N#Cc1nccnc1NCC1CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001577721181 1274786513 /nfs/dbraw/zinc/78/65/13/1274786513.db2.gz AFNXSWCBZJXLCW-UHFFFAOYSA-N 0 1 370.417 0.724 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C[C@H]1O ZINC001577746404 1274822250 /nfs/dbraw/zinc/82/22/50/1274822250.db2.gz YKQJGYKCDRPTSK-IAGOWNOFSA-N 0 1 373.457 0.399 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H](CNC(=O)c1cncc(-c2cn[nH]n2)c1)C1CC1 ZINC001577746390 1274822463 /nfs/dbraw/zinc/82/24/63/1274822463.db2.gz YDZSOGSQAUBIMA-INIZCTEOSA-N 0 1 364.409 0.905 20 30 FCEDMN O=C(CCOCc1c[nH]nn1)N[C@H]1CC12CCN(C(=O)C#CC1CC1)CC2 ZINC001577878728 1275075561 /nfs/dbraw/zinc/07/55/61/1275075561.db2.gz FJSXOQVNCSZHQG-INIZCTEOSA-N 0 1 371.441 0.622 20 30 FCEDMN O=C(C#CC1CC1)N(Cc1cn[nH]n1)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001578033207 1275310351 /nfs/dbraw/zinc/31/03/51/1275310351.db2.gz ZJMIMLGENWRKCX-UHFFFAOYSA-N 0 1 367.413 0.575 20 30 FCEDMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001578138716 1275437399 /nfs/dbraw/zinc/43/73/99/1275437399.db2.gz JDDLHYLBSLWSDC-UHFFFAOYSA-N 0 1 351.374 0.458 20 30 FCEDMN CCOC(=O)[C@@]1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCCOC1 ZINC001578243937 1275546135 /nfs/dbraw/zinc/54/61/35/1275546135.db2.gz FHEJQFDWZBEJMC-OAHLLOKOSA-N 0 1 358.362 0.300 20 30 FCEDMN CCOc1cccc(CN(CCO)c2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001578400787 1275774989 /nfs/dbraw/zinc/77/49/89/1275774989.db2.gz ZURRKRHUWMWMSR-UHFFFAOYSA-N 0 1 366.385 0.926 20 30 FCEDMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579117966 1276790411 /nfs/dbraw/zinc/79/04/11/1276790411.db2.gz VSFVOBCCSMLTRL-UHFFFAOYSA-N 0 1 366.389 0.455 20 30 FCEDMN CN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579197184 1276974930 /nfs/dbraw/zinc/97/49/30/1276974930.db2.gz CBALVTUZMILFLI-UHFFFAOYSA-N 0 1 350.386 0.928 20 30 FCEDMN C[N@H+]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@@H](Cc2ccccc2)C1 ZINC001579376587 1277254990 /nfs/dbraw/zinc/25/49/90/1277254990.db2.gz CEJGRWFDKYYBCO-AWEZNQCLSA-N 0 1 361.413 0.891 20 30 FCEDMN COC(=O)CN(CCC(F)(F)F)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579449094 1277338831 /nfs/dbraw/zinc/33/88/31/1277338831.db2.gz IUHQHYIVDOHEGS-UHFFFAOYSA-N 0 1 356.268 0.460 20 30 FCEDMN COCC#CCN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001579618433 1277665179 /nfs/dbraw/zinc/66/51/79/1277665179.db2.gz KGMYCZDOJHYBMM-YJBOKZPZSA-N 0 1 369.429 0.571 20 30 FCEDMN Cc1ccc(NC(=O)C2CCN(C(=O)N[C@H]3CNC[C@@H]3C#N)CC2)nc1 ZINC001579715481 1277819183 /nfs/dbraw/zinc/81/91/83/1277819183.db2.gz SWFDIOGGTCKJIJ-GJZGRUSLSA-N 0 1 356.430 0.862 20 30 FCEDMN COc1cc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(F)cc1C#N ZINC001579932460 1277968463 /nfs/dbraw/zinc/96/84/63/1277968463.db2.gz JWSXLVNQPAIABF-UHFFFAOYSA-N 0 1 372.324 0.299 20 30 FCEDMN COc1cc2c(cc1O)CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 ZINC001579939579 1277970937 /nfs/dbraw/zinc/97/09/37/1277970937.db2.gz WGUUIBBPXYLJJL-UHFFFAOYSA-N 0 1 350.342 0.805 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603188667 1287324881 /nfs/dbraw/zinc/32/48/81/1287324881.db2.gz BFAXZGZHTBJAAD-ZDUSSCGKSA-N 0 1 354.418 0.649 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603189708 1287327149 /nfs/dbraw/zinc/32/71/49/1287327149.db2.gz QTKDTHAZDJZNIA-KRWDZBQOSA-N 0 1 354.418 0.389 20 30 FCEDMN Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959299 1279163644 /nfs/dbraw/zinc/16/36/44/1279163644.db2.gz VAHBEFQIXWATCU-GFCCVEGCSA-N 0 1 363.385 0.779 20 30 FCEDMN Cc1cc(NC2(C)CCN(C(=O)[C@@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998297 1279213013 /nfs/dbraw/zinc/21/30/13/1279213013.db2.gz DBZIAZHIKDOEKP-NSHDSACASA-N 0 1 354.418 0.945 20 30 FCEDMN Cc1cc(NC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581020442 1279251870 /nfs/dbraw/zinc/25/18/70/1279251870.db2.gz IGRGPQPKMHSUIM-YPMHNXCESA-N 0 1 354.418 0.945 20 30 FCEDMN Cc1cc(NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030810 1279267710 /nfs/dbraw/zinc/26/77/10/1279267710.db2.gz OTZIFXZFJRHBRF-SNVBAGLBSA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1cc(NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031784 1279270039 /nfs/dbraw/zinc/27/00/39/1279270039.db2.gz GRRHSJGUGKGZAW-JTQLQIEISA-N 0 1 351.374 0.422 20 30 FCEDMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C#CC1CC1 ZINC001603325832 1287357601 /nfs/dbraw/zinc/35/76/01/1287357601.db2.gz RZMREJWGJWOIAC-UHFFFAOYSA-N 0 1 354.418 0.743 20 30 FCEDMN Cc1nn(C)c(N2CCN(C[C@H](O)CC3(C#N)CC3)CC2)c1-c1nn[nH]n1 ZINC001581593644 1280193477 /nfs/dbraw/zinc/19/34/77/1280193477.db2.gz LWYUWWCAENCUIQ-CYBMUJFWSA-N 0 1 371.449 0.085 20 30 FCEDMN Cn1ncc2c1CC(C)(C)CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 ZINC001581833850 1280584167 /nfs/dbraw/zinc/58/41/67/1280584167.db2.gz IBTXYAQCHQQBMD-UHFFFAOYSA-N 0 1 350.390 0.851 20 30 FCEDMN N#C[C@H]1C[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001581860125 1280613764 /nfs/dbraw/zinc/61/37/64/1280613764.db2.gz LLHULZCKNPCSFZ-GHMZBOCLSA-N 0 1 354.374 0.540 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001581863450 1280615120 /nfs/dbraw/zinc/61/51/20/1280615120.db2.gz PSTWAZXDPWMYKM-UMSPYCQHSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001581867363 1280623565 /nfs/dbraw/zinc/62/35/65/1280623565.db2.gz FQSZQBNKOIEOCN-UMSPYCQHSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccnc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)c1 ZINC001581877216 1280632416 /nfs/dbraw/zinc/63/24/16/1280632416.db2.gz XFQHMRVDWCFDQD-UHFFFAOYSA-N 0 1 359.357 0.122 20 30 FCEDMN N#Cc1nc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cnc1-c1nnn[n-]1 ZINC001581879700 1280639261 /nfs/dbraw/zinc/63/92/61/1280639261.db2.gz UVSBCJIMFBVZQF-CYBMUJFWSA-N 0 1 365.376 0.688 20 30 FCEDMN N#Cc1nc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cnc1-c1nn[n-]n1 ZINC001581879700 1280639271 /nfs/dbraw/zinc/63/92/71/1280639271.db2.gz UVSBCJIMFBVZQF-CYBMUJFWSA-N 0 1 365.376 0.688 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001581882027 1280641224 /nfs/dbraw/zinc/64/12/24/1280641224.db2.gz ITQTUPTUQNBGFB-GFCCVEGCSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1ncc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)nc1-c1nn[nH]n1 ZINC001581881862 1280641240 /nfs/dbraw/zinc/64/12/40/1280641240.db2.gz CQYUUYARQXCPRF-YVEFUNNKSA-N 0 1 366.360 0.833 20 30 FCEDMN N#Cc1ncc(N2CCC[C@H]2C(=O)NCc2ccco2)nc1-c1nn[nH]n1 ZINC001581881924 1280642422 /nfs/dbraw/zinc/64/24/22/1280642422.db2.gz FKJDOLSJOKCPLM-LBPRGKRZSA-N 0 1 365.357 0.407 20 30 FCEDMN N#Cc1ncc(N2CCN(c3cccc(F)c3)C(=O)C2)nc1-c1nn[nH]n1 ZINC001581882248 1280643128 /nfs/dbraw/zinc/64/31/28/1280643128.db2.gz QWEIDBHSPUYAHE-UHFFFAOYSA-N 0 1 365.332 0.521 20 30 FCEDMN N#Cc1ncc(NCCc2ccc3c(c2)OCCO3)nc1-c1nn[nH]n1 ZINC001581884301 1280649954 /nfs/dbraw/zinc/64/99/54/1280649954.db2.gz TXLKENABAXYDSA-UHFFFAOYSA-N 0 1 350.342 0.954 20 30 FCEDMN C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[N@@H+]1CCc2sccc2C1 ZINC001603608342 1287438863 /nfs/dbraw/zinc/43/88/63/1287438863.db2.gz UVEOKFBLYHJWIL-LLVKDONJSA-N 0 1 373.438 0.445 20 30 FCEDMN C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[N@H+]1CCc2sccc2C1 ZINC001603608342 1287438874 /nfs/dbraw/zinc/43/88/74/1287438874.db2.gz UVEOKFBLYHJWIL-LLVKDONJSA-N 0 1 373.438 0.445 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581912657 1280716350 /nfs/dbraw/zinc/71/63/50/1280716350.db2.gz SUTYMPPLSGEFCW-ZIAGYGMSSA-N 0 1 351.414 0.794 20 30 FCEDMN C#C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)[C@H]1CCCO1 ZINC001588330049 1282421581 /nfs/dbraw/zinc/42/15/81/1282421581.db2.gz UCLDYHQHUBCBNX-GHMZBOCLSA-N 0 1 360.399 0.600 20 30 FCEDMN C#C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CCOCC1 ZINC001588330237 1282421851 /nfs/dbraw/zinc/42/18/51/1282421851.db2.gz XWKVHZVMUMGXSO-GFCCVEGCSA-N 0 1 374.426 0.847 20 30 FCEDMN C#C[C@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CCOC)C1 ZINC001588332589 1282425095 /nfs/dbraw/zinc/42/50/95/1282425095.db2.gz NIZFEICGNPGQTQ-NSHDSACASA-N 0 1 368.405 0.344 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338163 1282430714 /nfs/dbraw/zinc/43/07/14/1282430714.db2.gz AFYJKZFBJHZBIM-UONOGXRCSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588338238 1282431492 /nfs/dbraw/zinc/43/14/92/1282431492.db2.gz IJPJTDMSEQMLSS-GOEBONIOSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588345247 1282440928 /nfs/dbraw/zinc/44/09/28/1282440928.db2.gz WPUWOCHOLYLZIY-JOCQHMNTSA-N 0 1 354.418 0.721 20 30 FCEDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC001635961077 1282446367 /nfs/dbraw/zinc/44/63/67/1282446367.db2.gz WNFPLDFUROHSQF-MRXNPFEDSA-N 0 1 372.429 0.970 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588355085 1282451593 /nfs/dbraw/zinc/45/15/93/1282451593.db2.gz FDKQGCOWOBYQAL-ZFWWWQNUSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588354837 1282451610 /nfs/dbraw/zinc/45/16/10/1282451610.db2.gz AXMHSDQOCZRYKO-QWHCGFSZSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355598 1282455012 /nfs/dbraw/zinc/45/50/12/1282455012.db2.gz KDMBKCZKSIRKII-RYUDHWBXSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355598 1282455017 /nfs/dbraw/zinc/45/50/17/1282455017.db2.gz KDMBKCZKSIRKII-RYUDHWBXSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCN(CC)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588357352 1282465482 /nfs/dbraw/zinc/46/54/82/1282465482.db2.gz LTJZCYUFCGASJA-CYBMUJFWSA-N 0 1 374.420 0.982 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588358287 1282469596 /nfs/dbraw/zinc/46/95/96/1282469596.db2.gz QHPVIQXNYRUMQL-GFCCVEGCSA-N 0 1 370.417 0.122 20 30 FCEDMN C#CCOCCC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588359550 1282474871 /nfs/dbraw/zinc/47/48/71/1282474871.db2.gz RHFTXMDTMOYKSB-UHFFFAOYSA-N 0 1 369.429 0.435 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001588359316 1282475170 /nfs/dbraw/zinc/47/51/70/1282475170.db2.gz KUBDQQBDGZMJLH-OAHLLOKOSA-N 0 1 372.404 0.736 20 30 FCEDMN C#CCOCCC(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588360056 1282475976 /nfs/dbraw/zinc/47/59/76/1282475976.db2.gz GZCDCVDKZNMOOM-MRXNPFEDSA-N 0 1 369.429 0.372 20 30 FCEDMN C#CCOCCC(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588360748 1282480573 /nfs/dbraw/zinc/48/05/73/1282480573.db2.gz UTKQNDSYCNYMMD-UHFFFAOYSA-N 0 1 369.429 0.517 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361062 1282480663 /nfs/dbraw/zinc/48/06/63/1282480663.db2.gz CRTNZPMKXUTHTA-LBPRGKRZSA-N 0 1 357.418 0.196 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588361399 1282482388 /nfs/dbraw/zinc/48/23/88/1282482388.db2.gz LQMJRWMFNDOLCS-KGLIPLIRSA-N 0 1 369.429 0.420 20 30 FCEDMN C#CCOCCC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588361189 1282482658 /nfs/dbraw/zinc/48/26/58/1282482658.db2.gz GVFHHLNRPQEZSR-ZDUSSCGKSA-N 0 1 370.417 0.029 20 30 FCEDMN C#CCOc1ccc(F)cc1NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001588361861 1282485287 /nfs/dbraw/zinc/48/52/87/1282485287.db2.gz LEPXLPRHNUXQNI-VIFPVBQESA-N 0 1 356.321 0.809 20 30 FCEDMN C#CCOCCC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588361491 1282485547 /nfs/dbraw/zinc/48/55/47/1282485547.db2.gz OCBMNFWPJXMTER-UHFFFAOYSA-N 0 1 354.414 0.455 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362767 1282490115 /nfs/dbraw/zinc/49/01/15/1282490115.db2.gz SCZWMKHAOCKCPA-CQSZACIVSA-N 0 1 369.429 0.695 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nc1 ZINC001588370009 1282493635 /nfs/dbraw/zinc/49/36/35/1282493635.db2.gz IBUYNFXGFARGMX-OKILXGFUSA-N 0 1 374.408 0.741 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001588380474 1282495758 /nfs/dbraw/zinc/49/57/58/1282495758.db2.gz GCIRTMRMRLKGCS-OAHLLOKOSA-N 0 1 374.408 0.955 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)c1 ZINC001588380791 1282496464 /nfs/dbraw/zinc/49/64/64/1282496464.db2.gz MFWBHXIJNJEDQG-GFCCVEGCSA-N 0 1 362.397 0.599 20 30 FCEDMN C=C(C)[C@H](CC(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1)OCC ZINC001588403140 1282499537 /nfs/dbraw/zinc/49/95/37/1282499537.db2.gz WGSXNLNOMAAKMT-DOMZBBRYSA-N 0 1 359.434 0.972 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403247 1282500528 /nfs/dbraw/zinc/50/05/28/1282500528.db2.gz XYKSTOWPGINSBW-NWDGAFQWSA-N 0 1 360.422 0.367 20 30 FCEDMN C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588448325 1282508290 /nfs/dbraw/zinc/50/82/90/1282508290.db2.gz VQMXWGYVJSYWLR-ZDUSSCGKSA-N 0 1 371.445 0.580 20 30 FCEDMN C=C(CC[NH+](C)C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588443921 1282508794 /nfs/dbraw/zinc/50/87/94/1282508794.db2.gz AFKNXQVTKKFKTA-ZDUSSCGKSA-N 0 1 371.449 0.202 20 30 FCEDMN C=C(CC[NH+](C)C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588443921 1282508807 /nfs/dbraw/zinc/50/88/07/1282508807.db2.gz AFKNXQVTKKFKTA-ZDUSSCGKSA-N 0 1 371.449 0.202 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001588483298 1282518967 /nfs/dbraw/zinc/51/89/67/1282518967.db2.gz FLOOIRIRLPILLZ-GFCCVEGCSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588492784 1282521780 /nfs/dbraw/zinc/52/17/80/1282521780.db2.gz WORBCWOFCYCGPU-QFSBIZTOSA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588492149 1282522000 /nfs/dbraw/zinc/52/20/00/1282522000.db2.gz PAVIEIRNCFHULA-YVEFUNNKSA-N 0 1 372.433 0.320 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588491405 1282522247 /nfs/dbraw/zinc/52/22/47/1282522247.db2.gz GPKLMVVSSGOTGA-UGSOOPFHSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588498580 1282528767 /nfs/dbraw/zinc/52/87/67/1282528767.db2.gz BRUDVAKNWGOYLG-KRWDZBQOSA-N 0 1 374.449 0.302 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588498581 1282529272 /nfs/dbraw/zinc/52/92/72/1282529272.db2.gz BRUDVAKNWGOYLG-QGZVFWFLSA-N 0 1 374.449 0.302 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588499536 1282529716 /nfs/dbraw/zinc/52/97/16/1282529716.db2.gz JJNCIUZIMBQMGP-ACJLOTCBSA-N 0 1 371.445 0.874 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588500284 1282532434 /nfs/dbraw/zinc/53/24/34/1282532434.db2.gz UUNWMTHIYIMHQH-UGSOOPFHSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001588501171 1282533657 /nfs/dbraw/zinc/53/36/57/1282533657.db2.gz KOOSYEBYBQLKJR-JCGVRSQUSA-N 0 1 369.429 0.483 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501029 1282533724 /nfs/dbraw/zinc/53/37/24/1282533724.db2.gz IKAAIZGQVWVYET-SJCJKPOMSA-N 0 1 372.433 0.411 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588503020 1282539758 /nfs/dbraw/zinc/53/97/58/1282539758.db2.gz WFUCGPVNVPPWHV-MEBBXXQBSA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588503020 1282539769 /nfs/dbraw/zinc/53/97/69/1282539769.db2.gz WFUCGPVNVPPWHV-MEBBXXQBSA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001588505272 1282545226 /nfs/dbraw/zinc/54/52/26/1282545226.db2.gz OOKARDSGFPDEBB-MAUKXSAKSA-N 0 1 373.461 0.872 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588504977 1282545667 /nfs/dbraw/zinc/54/56/67/1282545667.db2.gz NDPPCHUKNCPITC-BDJLRTHQSA-N 0 1 360.422 0.315 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588505634 1282548396 /nfs/dbraw/zinc/54/83/96/1282548396.db2.gz SYHBRKFXNBJLJA-VEVIJQCQSA-N 0 1 371.445 0.708 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588507804 1282550063 /nfs/dbraw/zinc/55/00/63/1282550063.db2.gz KMSLALWQVLCCMI-NENTXLIVSA-N 0 1 355.402 0.140 20 30 FCEDMN C=CCC(C)(C)C(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588532193 1282562194 /nfs/dbraw/zinc/56/21/94/1282562194.db2.gz OTLTWENBUKKGTN-UHFFFAOYSA-N 0 1 373.461 0.827 20 30 FCEDMN C=CCC(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588531727 1282562324 /nfs/dbraw/zinc/56/23/24/1282562324.db2.gz HDNXEGMEDMOYAT-LBPRGKRZSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588546120 1282563496 /nfs/dbraw/zinc/56/34/96/1282563496.db2.gz YAIHFLGTPFGIKF-AWEZNQCLSA-N 0 1 367.417 0.945 20 30 FCEDMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588577643 1282573137 /nfs/dbraw/zinc/57/31/37/1282573137.db2.gz KGHZFUSRTHFAIF-QWHCGFSZSA-N 0 1 359.434 0.980 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616354 1282596109 /nfs/dbraw/zinc/59/61/09/1282596109.db2.gz FDRIOILWJXMUBY-CYBMUJFWSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCCOCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588617690 1282599130 /nfs/dbraw/zinc/59/91/30/1282599130.db2.gz XRJUPQSXZGMBSE-CYBMUJFWSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCCOCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588616841 1282599766 /nfs/dbraw/zinc/59/97/66/1282599766.db2.gz NNMURUUKHIOLOH-CHWSQXEVSA-N 0 1 359.434 0.890 20 30 FCEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001588657846 1282607337 /nfs/dbraw/zinc/60/73/37/1282607337.db2.gz YCGWTJWXQUTAAN-YVEFUNNKSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001588659115 1282614054 /nfs/dbraw/zinc/61/40/54/1282614054.db2.gz HZOBQFQMAHRIFT-CYBMUJFWSA-N 0 1 372.433 0.081 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588666202 1282619056 /nfs/dbraw/zinc/61/90/56/1282619056.db2.gz CAOJNCUZGKUVDX-LBPRGKRZSA-N 0 1 358.406 0.144 20 30 FCEDMN C=CCOCC(=O)N[C@@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001588672379 1282626915 /nfs/dbraw/zinc/62/69/15/1282626915.db2.gz UYAWUYQSVIVYJU-SFHVURJKSA-N 0 1 371.445 0.891 20 30 FCEDMN C=CCOCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588672651 1282628439 /nfs/dbraw/zinc/62/84/39/1282628439.db2.gz XTGJHOGGIBAKHE-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588674597 1282632984 /nfs/dbraw/zinc/63/29/84/1282632984.db2.gz QDQSTJSZBDATIC-OLZOCXBDSA-N 0 1 357.418 0.583 20 30 FCEDMN C=CCOCCCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588680791 1282637244 /nfs/dbraw/zinc/63/72/44/1282637244.db2.gz DOFFKJRNYQFFMO-KRWDZBQOSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588681400 1282641633 /nfs/dbraw/zinc/64/16/33/1282641633.db2.gz NCAJTXNEWVEJHA-CQSZACIVSA-N 0 1 371.445 0.927 20 30 FCEDMN C=CCOCCCC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588683164 1282646126 /nfs/dbraw/zinc/64/61/26/1282646126.db2.gz YWPNBQOLXVYSEM-CYBMUJFWSA-N 0 1 372.433 0.582 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001588709313 1282655559 /nfs/dbraw/zinc/65/55/59/1282655559.db2.gz QBAZPCBNAKFHEC-TUAOUCFPSA-N 0 1 369.437 0.765 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)C[C@H]1CC1(C)C ZINC001588709314 1282655765 /nfs/dbraw/zinc/65/57/65/1282655765.db2.gz QBJRPOPRJAIETD-LLVKDONJSA-N 0 1 369.437 0.766 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001588709310 1282655988 /nfs/dbraw/zinc/65/59/88/1282655988.db2.gz QBAZPCBNAKFHEC-QJPTWQEYSA-N 0 1 369.437 0.765 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(CC)CCC1CC1 ZINC001588708638 1282657665 /nfs/dbraw/zinc/65/76/65/1282657665.db2.gz KDZPLPCVWPFXOC-UHFFFAOYSA-N 0 1 369.437 0.910 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)C[C@@H]1CC1(C)C ZINC001588709315 1282657747 /nfs/dbraw/zinc/65/77/47/1282657747.db2.gz QBJRPOPRJAIETD-NSHDSACASA-N 0 1 369.437 0.766 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001588708597 1282658147 /nfs/dbraw/zinc/65/81/47/1282658147.db2.gz JKLUUYANVVRNHO-GHMZBOCLSA-N 0 1 373.400 0.468 20 30 FCEDMN C=CCn1cc(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)nn1 ZINC001588716774 1282661839 /nfs/dbraw/zinc/66/18/39/1282661839.db2.gz LJOADTWBGIZLML-UHFFFAOYSA-N 0 1 373.402 0.397 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588926637 1282729724 /nfs/dbraw/zinc/72/97/24/1282729724.db2.gz KAPHYCALIVPSIN-VXGBXAGGSA-N 0 1 354.418 0.882 20 30 FCEDMN C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588998339 1282764469 /nfs/dbraw/zinc/76/44/69/1282764469.db2.gz SJBOGFVSGBXAFD-JTQLQIEISA-N 0 1 353.346 0.238 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001589388314 1282865927 /nfs/dbraw/zinc/86/59/27/1282865927.db2.gz VVQJNSXTLGATSN-IAGOWNOFSA-N 0 1 368.441 0.578 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001589388362 1282868834 /nfs/dbraw/zinc/86/88/34/1282868834.db2.gz WRFMRFOSOOXKOC-ZDUSSCGKSA-N 0 1 366.429 0.791 20 30 FCEDMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985503 1283156707 /nfs/dbraw/zinc/15/67/07/1283156707.db2.gz KLMYWASNOASVLA-OLZOCXBDSA-N 0 1 368.445 0.777 20 30 FCEDMN C[C@@]1(C#N)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001590055589 1283189678 /nfs/dbraw/zinc/18/96/78/1283189678.db2.gz UVPDVYBZQVVKAL-ZDUSSCGKSA-N 0 1 363.359 0.699 20 30 FCEDMN C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590144799 1283242048 /nfs/dbraw/zinc/24/20/48/1283242048.db2.gz XRSZERNTJPZHDW-MRXNPFEDSA-N 0 1 364.373 0.255 20 30 FCEDMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590175002 1283280611 /nfs/dbraw/zinc/28/06/11/1283280611.db2.gz KXJAFOPWCBJHHN-VXGBXAGGSA-N 0 1 354.418 0.529 20 30 FCEDMN C[C@@H]1CN(C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C[C@@H](C)N1CC#N ZINC001590305953 1283449016 /nfs/dbraw/zinc/44/90/16/1283449016.db2.gz UUYVXIYJCJVURI-RBSFLKMASA-N 0 1 371.445 0.525 20 30 FCEDMN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590615708 1283650857 /nfs/dbraw/zinc/65/08/57/1283650857.db2.gz AIGQXLQFQQHEER-CQSZACIVSA-N 0 1 366.429 0.887 20 30 FCEDMN C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001604600716 1287676585 /nfs/dbraw/zinc/67/65/85/1287676585.db2.gz QZAYFQMGDMGMFZ-KHSSZTOVSA-N 0 1 354.366 0.545 20 30 FCEDMN C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001604600716 1287676591 /nfs/dbraw/zinc/67/65/91/1287676591.db2.gz QZAYFQMGDMGMFZ-KHSSZTOVSA-N 0 1 354.366 0.545 20 30 FCEDMN CN(C(=O)C#CC(C)(C)C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001590971710 1284032235 /nfs/dbraw/zinc/03/22/35/1284032235.db2.gz DGILJIHKCIUMJK-CYBMUJFWSA-N 0 1 368.445 0.777 20 30 FCEDMN CN(C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N)C1(C#N)CCCCC1 ZINC001590986255 1284041458 /nfs/dbraw/zinc/04/14/58/1284041458.db2.gz DZELRTQYNFXQIF-UHFFFAOYSA-N 0 1 354.378 0.202 20 30 FCEDMN COC(=O)c1ccccc1NC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N ZINC001591304211 1284453743 /nfs/dbraw/zinc/45/37/43/1284453743.db2.gz NXAMYCPECJRLJN-UHFFFAOYSA-N 0 1 366.341 0.669 20 30 FCEDMN COCC[C@H](NC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC ZINC001591398895 1284537915 /nfs/dbraw/zinc/53/79/15/1284537915.db2.gz MFVQCDVTBNMQCF-KBPBESRZSA-N 0 1 372.385 0.243 20 30 FCEDMN Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592035158 1285077682 /nfs/dbraw/zinc/07/76/82/1285077682.db2.gz YHBGXDKIRPFRFA-NWDGAFQWSA-N 0 1 374.474 0.944 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC001592335218 1285244799 /nfs/dbraw/zinc/24/47/99/1285244799.db2.gz OTKFHNLYMSINGJ-MWLCHTKSSA-N 0 1 371.405 0.648 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)c1ccc2c(c1)CCN2C=O ZINC001592335294 1285245801 /nfs/dbraw/zinc/24/58/01/1285245801.db2.gz PXIBVVKVTRVLAZ-UHFFFAOYSA-N 0 1 362.353 0.645 20 30 FCEDMN N#C[C@@]12CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@@H]1CS(=O)(=O)C2 ZINC001592681089 1285579249 /nfs/dbraw/zinc/57/92/49/1285579249.db2.gz GZZBQNDFKYXDFY-KBUNVGBDSA-N 0 1 371.835 0.351 20 30 FCEDMN N#Cc1ncc(N(CCO)Cc2cccnc2Cl)nc1-c1nn[nH]n1 ZINC001592708313 1285593331 /nfs/dbraw/zinc/59/33/31/1285593331.db2.gz IORMJARKUZBFAR-UHFFFAOYSA-N 0 1 357.765 0.576 20 30 FCEDMN N#Cc1ncc(NCCc2cnc3c(Cl)cnn3c2)nc1-c1nn[nH]n1 ZINC001592710394 1285595344 /nfs/dbraw/zinc/59/53/44/1285595344.db2.gz NPGDTLQYIQWJJH-UHFFFAOYSA-N 0 1 367.764 0.879 20 30 FCEDMN O=C(C#CC1CC1)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001592767027 1285689861 /nfs/dbraw/zinc/68/98/61/1285689861.db2.gz ZAYQUEYBHSWSJO-UHFFFAOYSA-N 0 1 352.402 0.333 20 30 FCEDMN COCc1cccc(CNC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001609331301 1289102648 /nfs/dbraw/zinc/10/26/48/1289102648.db2.gz ZQBVLNPGZGGFTQ-UHFFFAOYSA-N 0 1 366.385 0.706 20 30 FCEDMN COc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001609355105 1289115656 /nfs/dbraw/zinc/11/56/56/1289115656.db2.gz GWLDEYCIXOIYDT-UHFFFAOYSA-N 0 1 352.358 0.602 20 30 FCEDMN O=C([O-])c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)nc1 ZINC001602330787 1286989778 /nfs/dbraw/zinc/98/97/78/1286989778.db2.gz CXHRIUDJEADFGQ-UHFFFAOYSA-N 0 1 351.432 0.300 20 30 FCEDMN C#CCCCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602703308 1287064165 /nfs/dbraw/zinc/06/41/65/1287064165.db2.gz NOWXHZHSBUNECA-ZDUSSCGKSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602702315 1287066112 /nfs/dbraw/zinc/06/61/12/1287066112.db2.gz CWCIBGRBNXQRJS-ZDUSSCGKSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCCCC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602710632 1287068168 /nfs/dbraw/zinc/06/81/68/1287068168.db2.gz XVLQVOYASPIPRY-CYBMUJFWSA-N 0 1 356.434 0.921 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602724180 1287081197 /nfs/dbraw/zinc/08/11/97/1287081197.db2.gz BNZGNLODDFXQDJ-LRDDRELGSA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001602724825 1287083340 /nfs/dbraw/zinc/08/33/40/1287083340.db2.gz HFRUXLZCULIBSM-CYBMUJFWSA-N 0 1 369.429 0.775 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602724823 1287084136 /nfs/dbraw/zinc/08/41/36/1287084136.db2.gz HEEOVEBHNILDDD-ZDUSSCGKSA-N 0 1 369.429 0.563 20 30 FCEDMN C#CCNC(=O)CC[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001602724978 1287084863 /nfs/dbraw/zinc/08/48/63/1287084863.db2.gz MPXROIZHVDLCFM-CYBMUJFWSA-N 0 1 365.430 0.379 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001602726485 1287089063 /nfs/dbraw/zinc/08/90/63/1287089063.db2.gz RKANVZIZIRCTGQ-YRGRVCCFSA-N 0 1 374.470 0.903 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001602726485 1287089069 /nfs/dbraw/zinc/08/90/69/1287089069.db2.gz RKANVZIZIRCTGQ-YRGRVCCFSA-N 0 1 374.470 0.903 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602727064 1287091735 /nfs/dbraw/zinc/09/17/35/1287091735.db2.gz KLDHFJSBIIDRIB-CYBMUJFWSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001602727745 1287094333 /nfs/dbraw/zinc/09/43/33/1287094333.db2.gz ZVAFKHKURHNMKH-NWDGAFQWSA-N 0 1 372.433 0.060 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001602729501 1287095725 /nfs/dbraw/zinc/09/57/25/1287095725.db2.gz VBNAKAQDQWZYRP-MRXNPFEDSA-N 0 1 371.445 0.585 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602729489 1287096557 /nfs/dbraw/zinc/09/65/57/1287096557.db2.gz UPVAUDUTYVFYNP-CYBMUJFWSA-N 0 1 355.402 0.244 20 30 FCEDMN C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602742375 1287100840 /nfs/dbraw/zinc/10/08/40/1287100840.db2.gz COKXYVKTBUZRFE-WKILWMFISA-N 0 1 373.420 0.967 20 30 FCEDMN C#Cc1ccccc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602742351 1287101002 /nfs/dbraw/zinc/10/10/02/1287101002.db2.gz BWBJUHDHZHATDI-MRXNPFEDSA-N 0 1 373.420 0.920 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001602753282 1287105479 /nfs/dbraw/zinc/10/54/79/1287105479.db2.gz NKOOFNQIVZRXQZ-FRRDWIJNSA-N 0 1 372.433 0.509 20 30 FCEDMN C=C(C)CCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001602760118 1287107236 /nfs/dbraw/zinc/10/72/36/1287107236.db2.gz ZVNYYQLXRCQGIH-LBPRGKRZSA-N 0 1 358.406 0.334 20 30 FCEDMN C=C(C)CCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602759809 1287107826 /nfs/dbraw/zinc/10/78/26/1287107826.db2.gz QPGPXOKRTBGSHQ-KRWDZBQOSA-N 0 1 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C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602792076 1287116627 /nfs/dbraw/zinc/11/66/27/1287116627.db2.gz DQLITFMGAPIEJY-CRAIPNDOSA-N 0 1 371.445 0.626 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602790974 1287117556 /nfs/dbraw/zinc/11/75/56/1287117556.db2.gz WWHJYCYHSZFRBV-SJCJKPOMSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602796152 1287120380 /nfs/dbraw/zinc/12/03/80/1287120380.db2.gz ZPRAWVVIDMXHOD-FZKQIMNGSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)OCC ZINC001602833755 1287128932 /nfs/dbraw/zinc/12/89/32/1287128932.db2.gz VGYFPCHXZBPSBU-VIFPVBQESA-N 0 1 355.376 0.636 20 30 FCEDMN C=CCC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC001602833110 1287129058 /nfs/dbraw/zinc/12/90/58/1287129058.db2.gz DTQMRYSCJPHKAK-QMMMGPOBSA-N 0 1 350.404 0.746 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602844134 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369.838 0.944 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001575880856 1272545403 /nfs/dbraw/zinc/54/54/03/1272545403.db2.gz XQZFBLZDUUDWIQ-RWMBFGLXSA-N 0 1 370.417 0.768 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCc1cccc2c1CCN(CC#N)C2 ZINC001575880998 1272545654 /nfs/dbraw/zinc/54/56/54/1272545654.db2.gz YXQJWOVSPMAJEB-ZDUSSCGKSA-N 0 1 354.414 0.908 20 30 FCEDMN CC1(C)CN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001575951367 1272588932 /nfs/dbraw/zinc/58/89/32/1272588932.db2.gz JPSVLNLNFKRSTK-AWEZNQCLSA-N 0 1 370.417 0.722 20 30 FCEDMN CC1(C)CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCOCc1c[nH]nn1 ZINC001575963956 1272617146 /nfs/dbraw/zinc/61/71/46/1272617146.db2.gz VSUDOVCQGXWPPZ-CYBMUJFWSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@H]1C[C@@H](NC(=O)CCCc2c[nH]nn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576036487 1272748340 /nfs/dbraw/zinc/74/83/40/1272748340.db2.gz BYSKTCBZYVFHSF-XHDPSFHLSA-N 0 1 355.402 0.747 20 30 FCEDMN 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N#Cc1ccc(N2CC[C@@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C2)nc1 ZINC001577715386 1274774847 /nfs/dbraw/zinc/77/48/47/1274774847.db2.gz NWNGDXJGCPBOML-CABCVRRESA-N 0 1 355.402 0.150 20 30 FCEDMN N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cncc(-c4cn[nH]n4)c3)C2)c1 ZINC001577712520 1274774924 /nfs/dbraw/zinc/77/49/24/1274774924.db2.gz PSTPPUQUKOZVRC-UHFFFAOYSA-N 0 1 362.353 0.321 20 30 FCEDMN N#Cc1ccc(F)cc1CN1C[C@@H](NC(=O)CCCc2c[nH]nn2)[C@@H](O)C1 ZINC001577715432 1274775403 /nfs/dbraw/zinc/77/54/03/1274775403.db2.gz OFAROQUODLDDPX-SJORKVTESA-N 0 1 372.404 0.500 20 30 FCEDMN N#Cc1ccc(F)cc1CN1C[C@@H](NC(=O)CCCc2cnn[nH]2)[C@@H](O)C1 ZINC001577715432 1274775415 /nfs/dbraw/zinc/77/54/15/1274775415.db2.gz OFAROQUODLDDPX-SJORKVTESA-N 0 1 372.404 0.500 20 30 FCEDMN N#Cc1cccnc1N1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCc1c[nH]nn1 ZINC001577717399 1274776892 /nfs/dbraw/zinc/77/68/92/1274776892.db2.gz CPQKYOZKOFXXHK-IYBDPMFKSA-N 0 1 367.413 0.858 20 30 FCEDMN N#Cc1cccnc1NC[C@@H](NC(=O)CCOCc1c[nH]nn1)C1CC1 ZINC001577717731 1274777982 /nfs/dbraw/zinc/77/79/82/1274777982.db2.gz PDFVPOODKPFXTE-OAHLLOKOSA-N 0 1 355.402 0.985 20 30 FCEDMN N#Cc1nccnc1NC1(CNC(=O)CCOCc2c[nH]nn2)CCC1 ZINC001577719333 1274781237 /nfs/dbraw/zinc/78/12/37/1274781237.db2.gz QCZHOLZIBWFMNN-UHFFFAOYSA-N 0 1 356.390 0.524 20 30 FCEDMN N#Cc1nccc(NC[C@@H](NC(=O)CCCCc2cn[nH]n2)C2CC2)n1 ZINC001577719723 1274785109 /nfs/dbraw/zinc/78/51/09/1274785109.db2.gz YHMPGODRBHATLH-CQSZACIVSA-N 0 1 354.418 0.608 20 30 FCEDMN O=C(CCOCc1c[nH]nn1)NC[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001577884469 1275087629 /nfs/dbraw/zinc/08/76/29/1275087629.db2.gz DFPMWTIACLTHMR-OAHLLOKOSA-N 0 1 359.430 0.480 20 30 FCEDMN CN(C[C@@H]1CCN(C(=O)N[C@H]2CNC[C@@H]2C#N)C1)C(=O)OC(C)(C)C ZINC001578454172 1275854004 /nfs/dbraw/zinc/85/40/04/1275854004.db2.gz VAOMDWAOBHVJIE-IHRRRGAJSA-N 0 1 351.451 0.996 20 30 FCEDMN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001578955502 1276500248 /nfs/dbraw/zinc/50/02/48/1276500248.db2.gz KXOROVKBXCNXGX-LBPRGKRZSA-N 0 1 363.385 0.640 20 30 FCEDMN CN(CC(C)(C)CNc1ccncc1-c1nn[nH]n1)C(=O)CSCC#N ZINC001579018619 1276595761 /nfs/dbraw/zinc/59/57/61/1276595761.db2.gz ICCZQJINLBYBGC-UHFFFAOYSA-N 0 1 374.474 0.837 20 30 FCEDMN CN(C[C@H](O)COCc1ccccc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579063208 1276672517 /nfs/dbraw/zinc/67/25/17/1276672517.db2.gz VATBYBAVTOWSCV-ZDUSSCGKSA-N 0 1 366.385 0.542 20 30 FCEDMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579115613 1276784117 /nfs/dbraw/zinc/78/41/17/1276784117.db2.gz AXKCILCVQLCMHD-UHFFFAOYSA-N 0 1 366.389 0.455 20 30 FCEDMN Cc1ccc(NC(=O)C2CCN(C(=O)N[C@H]3CNC[C@H]3C#N)CC2)nc1 ZINC001579715480 1277819264 /nfs/dbraw/zinc/81/92/64/1277819264.db2.gz SWFDIOGGTCKJIJ-CABCVRRESA-N 0 1 356.430 0.862 20 30 FCEDMN Cc1cc(N[C@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994795 1279204566 /nfs/dbraw/zinc/20/45/66/1279204566.db2.gz QFEAJXUQBMOBDC-LLVKDONJSA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1ccc(F)cc1NC(=O)CCn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001581206789 1279503365 /nfs/dbraw/zinc/50/33/65/1279503365.db2.gz JJTODJQRACPAPM-UHFFFAOYSA-N 0 1 355.337 0.993 20 30 FCEDMN N#CC1(C[C@@H](O)CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 ZINC001581857271 1280609445 /nfs/dbraw/zinc/60/94/45/1280609445.db2.gz WJHRSHIVNBCUNT-CQSZACIVSA-N 0 1 354.418 0.438 20 30 FCEDMN N#Cc1c(NCc2ccc(-c3nn[nH]n3)cc2)n[nH]c1N1CCOCC1 ZINC001581860987 1280612660 /nfs/dbraw/zinc/61/26/60/1280612660.db2.gz COZOMNLOIKTLJN-UHFFFAOYSA-N 0 1 351.374 0.910 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1sncc1Br ZINC001581860696 1280612781 /nfs/dbraw/zinc/61/27/81/1280612781.db2.gz OOPUWCHBHWMWTI-UHFFFAOYSA-N 0 1 352.181 0.784 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[nH]1 ZINC001581867834 1280623833 /nfs/dbraw/zinc/62/38/33/1280623833.db2.gz YBZGBQKAQYGFGN-SNVBAGLBSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001581869492 1280625282 /nfs/dbraw/zinc/62/52/82/1280625282.db2.gz AXMPOHIJNGIREM-SECBINFHSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ccc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001581869493 1280625748 /nfs/dbraw/zinc/62/57/48/1280625748.db2.gz AXMPOHIJNGIREM-VIFPVBQESA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1ncc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc1-c1nnn[n-]1 ZINC001581882008 1280640712 /nfs/dbraw/zinc/64/07/12/1280640712.db2.gz HUVOYROXGFTWKW-GFCCVEGCSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001581882008 1280640745 /nfs/dbraw/zinc/64/07/45/1280640745.db2.gz HUVOYROXGFTWKW-GFCCVEGCSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001581882008 1280640754 /nfs/dbraw/zinc/64/07/54/1280640754.db2.gz HUVOYROXGFTWKW-GFCCVEGCSA-N 0 1 355.406 0.219 20 30 FCEDMN N#Cc1ncc(N2CCN(C(=O)N3CCCCC3)CC2)nc1-c1nn[nH]n1 ZINC001581881835 1280641783 /nfs/dbraw/zinc/64/17/83/1280641783.db2.gz BVSNETBNBYATPY-UHFFFAOYSA-N 0 1 368.405 0.256 20 30 FCEDMN N#Cc1ncc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)nc1-c1nn[nH]n1 ZINC001581881861 1280642085 /nfs/dbraw/zinc/64/20/85/1280642085.db2.gz CQYUUYARQXCPRF-SJKOYZFVSA-N 0 1 366.360 0.833 20 30 FCEDMN N#Cc1ncc(N2CCOC[C@@H]2CC2CCOCC2)nc1-c1nn[nH]n1 ZINC001581882498 1280644542 /nfs/dbraw/zinc/64/45/42/1280644542.db2.gz AYOADTIOYFJXCY-LBPRGKRZSA-N 0 1 356.390 0.550 20 30 FCEDMN N#Cc1ncc(N2CCO[C@@H](COc3ccccc3)C2)nc1-c1nn[nH]n1 ZINC001581882680 1280645275 /nfs/dbraw/zinc/64/52/75/1280645275.db2.gz FRDHPPSZXZIKRQ-CYBMUJFWSA-N 0 1 364.369 0.813 20 30 FCEDMN N#Cc1ncc(N2CCN(c3ncccc3F)CC2)nc1-c1nn[nH]n1 ZINC001581882812 1280645532 /nfs/dbraw/zinc/64/55/32/1280645532.db2.gz IEBBMQHMTVCDEO-UHFFFAOYSA-N 0 1 352.337 0.389 20 30 FCEDMN N#Cc1ncc(NC[C@H](n2cccn2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581883336 1280646981 /nfs/dbraw/zinc/64/69/81/1280646981.db2.gz WQPADIFLCJDTCM-QMMMGPOBSA-N 0 1 350.268 0.940 20 30 FCEDMN N#Cc1ncc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)nc1-c1nn[nH]n1 ZINC001581884149 1280650631 /nfs/dbraw/zinc/65/06/31/1280650631.db2.gz MXBRBVVBEVXTLC-HZMBPMFUSA-N 0 1 356.390 0.508 20 30 FCEDMN N#Cc1ncc(NC[C@@]2(N3CCOCC3)CCSC2)nc1-c1nn[nH]n1 ZINC001581884018 1280650883 /nfs/dbraw/zinc/65/08/83/1280650883.db2.gz HFXYERYTNVCKST-HNNXBMFYSA-N 0 1 373.446 0.148 20 30 FCEDMN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC001586319750 1282291745 /nfs/dbraw/zinc/29/17/45/1282291745.db2.gz RKTLYICFBAAPQX-MRXNPFEDSA-N 0 1 367.409 0.520 20 30 FCEDMN C#C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CCOCC1 ZINC001588330238 1282421677 /nfs/dbraw/zinc/42/16/77/1282421677.db2.gz XWKVHZVMUMGXSO-LBPRGKRZSA-N 0 1 374.426 0.847 20 30 FCEDMN C#C[C@@H]1CCCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CC=C)C1 ZINC001588332647 1282425090 /nfs/dbraw/zinc/42/50/90/1282425090.db2.gz OTXLQFHKBKABFB-GFCCVEGCSA-N 0 1 365.405 0.134 20 30 FCEDMN C#CCC1(NS(=O)(=O)c2ccsc2-c2nn[nH]n2)CCOCC1 ZINC001588335746 1282426713 /nfs/dbraw/zinc/42/67/13/1282426713.db2.gz WHTMLCIKIYSJEK-UHFFFAOYSA-N 0 1 353.429 0.779 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588338825 1282432451 /nfs/dbraw/zinc/43/24/51/1282432451.db2.gz HESHEQQQCZUCSX-QWHCGFSZSA-N 0 1 352.402 0.497 20 30 FCEDMN C#CCCCCC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588342663 1282438154 /nfs/dbraw/zinc/43/81/54/1282438154.db2.gz PFQLQZPPCQQKBQ-CYBMUJFWSA-N 0 1 357.418 0.075 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001588342282 1282439109 /nfs/dbraw/zinc/43/91/09/1282439109.db2.gz XBPQUNQCWZWBAO-CHWSQXEVSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588355717 1282454559 /nfs/dbraw/zinc/45/45/59/1282454559.db2.gz LODFWHSKQPBMCN-WFASDCNBSA-N 0 1 372.404 0.735 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588356687 1282461681 /nfs/dbraw/zinc/46/16/81/1282461681.db2.gz DTRZPJSDBNMSFZ-QMMMGPOBSA-N 0 1 369.838 0.933 20 30 FCEDMN C#CCO[C@H](C)C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001588359709 1282475997 /nfs/dbraw/zinc/47/59/97/1282475997.db2.gz ALRMBUFGFXANIO-LLVKDONJSA-N 0 1 352.358 0.483 20 30 FCEDMN C#CCOCCC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588361188 1282481671 /nfs/dbraw/zinc/48/16/71/1282481671.db2.gz GVFHHLNRPQEZSR-CYBMUJFWSA-N 0 1 370.417 0.029 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001588362534 1282487786 /nfs/dbraw/zinc/48/77/86/1282487786.db2.gz JGIJTIYYKSWWEB-HZPDHXFCSA-N 0 1 369.429 0.563 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001588365234 1282491493 /nfs/dbraw/zinc/49/14/93/1282491493.db2.gz QKFYVNLAJYNXFF-UHFFFAOYSA-N 0 1 363.385 0.241 20 30 FCEDMN O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCc1n[nH]c(C2CC2)n1 ZINC001636380455 1282494193 /nfs/dbraw/zinc/49/41/93/1282494193.db2.gz JURVHQIHUWZOMN-UHFFFAOYSA-N 0 1 374.426 0.427 20 30 FCEDMN C=C(C)[C@H](CC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403246 1282499627 /nfs/dbraw/zinc/49/96/27/1282499627.db2.gz XYKSTOWPGINSBW-NEPJUHHUSA-N 0 1 360.422 0.367 20 30 FCEDMN C=C(C)[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403000 1282499782 /nfs/dbraw/zinc/49/97/82/1282499782.db2.gz RSZHMMQNMIZBBJ-STQMWFEESA-N 0 1 374.449 0.709 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588402294 1282500256 /nfs/dbraw/zinc/50/02/56/1282500256.db2.gz FBRMCLPUJDMXHX-CHWSQXEVSA-N 0 1 374.449 0.969 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588448839 1282508637 /nfs/dbraw/zinc/50/86/37/1282508637.db2.gz GETZTNDNGGESQL-NWDGAFQWSA-N 0 1 354.418 0.694 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588448799 1282508927 /nfs/dbraw/zinc/50/89/27/1282508927.db2.gz DYLFBRCEVLEROW-RYUDHWBXSA-N 0 1 352.402 0.803 20 30 FCEDMN C=C1CCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CCOC)CC1 ZINC001588462455 1282510787 /nfs/dbraw/zinc/51/07/87/1282510787.db2.gz HEZNJVWYMDTUBT-UHFFFAOYSA-N 0 1 356.394 0.651 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588468702 1282513838 /nfs/dbraw/zinc/51/38/38/1282513838.db2.gz NRRZUNVZFIRCEC-GFCCVEGCSA-N 0 1 359.434 0.729 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588476225 1282517081 /nfs/dbraw/zinc/51/70/81/1282517081.db2.gz UHDUHIUFMJMHRU-SFHVURJKSA-N 0 1 371.445 0.661 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588477117 1282517222 /nfs/dbraw/zinc/51/72/22/1282517222.db2.gz ZZODDCADVGFBIK-JTQLQIEISA-N 0 1 350.448 0.707 20 30 FCEDMN C=CC(C)(C)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588483430 1282519427 /nfs/dbraw/zinc/51/94/27/1282519427.db2.gz JYZMZHJYEHKHKH-GFCCVEGCSA-N 0 1 359.434 0.483 20 30 FCEDMN C=CC(C)(C)CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588482262 1282519584 /nfs/dbraw/zinc/51/95/84/1282519584.db2.gz TZABDHUVSCQHIT-RYUDHWBXSA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588498482 1282526860 /nfs/dbraw/zinc/52/68/60/1282526860.db2.gz AIABQOMAMIFXAO-YVEFUNNKSA-N 0 1 372.433 0.269 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588500922 1282533359 /nfs/dbraw/zinc/53/33/59/1282533359.db2.gz GRALYIHDXMETGX-CVEARBPZSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001588507392 1282549845 /nfs/dbraw/zinc/54/98/45/1282549845.db2.gz HOOIIYWRSFFNEB-MEDUHNTESA-N 0 1 362.459 0.946 20 30 FCEDMN C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588521981 1282554655 /nfs/dbraw/zinc/55/46/55/1282554655.db2.gz XHWGCFNDSQGJNM-UONOGXRCSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588532199 1282561582 /nfs/dbraw/zinc/56/15/82/1282561582.db2.gz OYDSYUUBBYMWEI-GFCCVEGCSA-N 0 1 374.449 0.515 20 30 FCEDMN C=CCC1(O)CN(C(=O)C2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC001588558584 1282567420 /nfs/dbraw/zinc/56/74/20/1282567420.db2.gz AQQIONBCEOVLBT-UHFFFAOYSA-N 0 1 373.417 0.529 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CCC1 ZINC001588552875 1282568132 /nfs/dbraw/zinc/56/81/32/1282568132.db2.gz DYHCWGSEKOTPHB-ZDUSSCGKSA-N 0 1 371.445 0.627 20 30 FCEDMN C=CCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588571689 1282571164 /nfs/dbraw/zinc/57/11/64/1282571164.db2.gz ZLRNBCULLMQPLF-MRXNPFEDSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588588110 1282577708 /nfs/dbraw/zinc/57/77/08/1282577708.db2.gz DGOUZLKAGHCQOB-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588610397 1282586951 /nfs/dbraw/zinc/58/69/51/1282586951.db2.gz DFFSZFSNZJYPJH-AWEZNQCLSA-N 0 1 371.445 0.845 20 30 FCEDMN C=CCCOCC(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588610390 1282587004 /nfs/dbraw/zinc/58/70/04/1282587004.db2.gz CXLXYDXNTVDFTN-UHFFFAOYSA-N 0 1 372.433 0.464 20 30 FCEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCc1nn[nH]n1 ZINC001588640747 1282604689 /nfs/dbraw/zinc/60/46/89/1282604689.db2.gz ZIWVGMZKYIGYCE-UHFFFAOYSA-N 0 1 353.390 0.917 20 30 FCEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001588640651 1282606617 /nfs/dbraw/zinc/60/66/17/1282606617.db2.gz WLRNWWRLTWVATL-CYBMUJFWSA-N 0 1 369.385 0.370 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001588699182 1282652848 /nfs/dbraw/zinc/65/28/48/1282652848.db2.gz FFIKODGFOVMNAY-WDEREUQCSA-N 0 1 356.394 0.648 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588721223 1282665772 /nfs/dbraw/zinc/66/57/72/1282665772.db2.gz FATCSRCZVKHNOG-BHTHQVBYSA-N 0 1 369.429 0.534 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588722912 1282671948 /nfs/dbraw/zinc/67/19/48/1282671948.db2.gz DSIVFOBKJVXVQL-AGIUHOORSA-N 0 1 372.433 0.222 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588724355 1282677052 /nfs/dbraw/zinc/67/70/52/1282677052.db2.gz ZMLXNNWFACDFNU-KFNAQCHYSA-N 0 1 371.445 0.890 20 30 FCEDMN C[C@H](C#N)C(=O)NCCOCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588929285 1282729981 /nfs/dbraw/zinc/72/99/81/1282729981.db2.gz TYVLLVKCZIONIK-LLVKDONJSA-N 0 1 363.447 0.652 20 30 FCEDMN C[C@H](C#N)C(=O)NCCOCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588929285 1282729988 /nfs/dbraw/zinc/72/99/88/1282729988.db2.gz TYVLLVKCZIONIK-LLVKDONJSA-N 0 1 363.447 0.652 20 30 FCEDMN C[C@@H](C(=O)Nc1ncccc1OCCCC#N)n1cnc(-c2nn[nH]n2)n1 ZINC001589024968 1282775561 /nfs/dbraw/zinc/77/55/61/1282775561.db2.gz GMQNBFUPQIWWFN-JTQLQIEISA-N 0 1 368.361 0.735 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589068853 1282792752 /nfs/dbraw/zinc/79/27/52/1282792752.db2.gz YEXUYOCALCADJW-GFCCVEGCSA-N 0 1 354.418 0.531 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@H](Nc2nccnc2-c2nn[nH]n2)[C@@H](C#N)C1 ZINC001589158315 1282810482 /nfs/dbraw/zinc/81/04/82/1282810482.db2.gz XAVOHAYCDNCFQW-UWVGGRQHSA-N 0 1 357.378 0.828 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001589379831 1282855624 /nfs/dbraw/zinc/85/56/24/1282855624.db2.gz CBWBSZMTSHDLBX-GFCCVEGCSA-N 0 1 362.459 0.497 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001589379831 1282855633 /nfs/dbraw/zinc/85/56/33/1282855633.db2.gz CBWBSZMTSHDLBX-GFCCVEGCSA-N 0 1 362.459 0.497 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001589380448 1282857075 /nfs/dbraw/zinc/85/70/75/1282857075.db2.gz XTMDLXCSICYQCY-OAHLLOKOSA-N 0 1 374.420 0.574 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001589380114 1282857387 /nfs/dbraw/zinc/85/73/87/1282857387.db2.gz MRQWLGFHAVXANL-UONOGXRCSA-N 0 1 353.430 0.992 20 30 FCEDMN CC(C)C#CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001589387582 1282863652 /nfs/dbraw/zinc/86/36/52/1282863652.db2.gz MSKNLZHBHNUQRJ-QGZVFWFLSA-N 0 1 374.470 0.641 20 30 FCEDMN CC(C)C#CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001589387582 1282863664 /nfs/dbraw/zinc/86/36/64/1282863664.db2.gz MSKNLZHBHNUQRJ-QGZVFWFLSA-N 0 1 374.470 0.641 20 30 FCEDMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC001589753038 1282978653 /nfs/dbraw/zinc/97/86/53/1282978653.db2.gz LHHWBXQTCUSDHV-WCQYABFASA-N 0 1 356.390 0.887 20 30 FCEDMN Cn1c(=O)[n-]c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1=O ZINC001641946431 1282982327 /nfs/dbraw/zinc/98/23/27/1282982327.db2.gz QDUHACFGKBDRQD-AWEZNQCLSA-N 0 1 355.398 0.258 20 30 FCEDMN Cn1c(=O)[n-]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1=O ZINC001641946431 1282982341 /nfs/dbraw/zinc/98/23/41/1282982341.db2.gz QDUHACFGKBDRQD-AWEZNQCLSA-N 0 1 355.398 0.258 20 30 FCEDMN C[C@H](CNC(=O)CSCC#N)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001589856344 1283093265 /nfs/dbraw/zinc/09/32/65/1283093265.db2.gz DKQZDQOXDDBJKY-SNVBAGLBSA-N 0 1 363.422 0.857 20 30 FCEDMN CCOC(=O)c1ccc(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001604389123 1287628393 /nfs/dbraw/zinc/62/83/93/1287628393.db2.gz RLRFDJWEOMGELR-UHFFFAOYSA-N 0 1 351.326 0.994 20 30 FCEDMN C[C@@H]1CCc2ccccc2N1C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001590282569 1283409086 /nfs/dbraw/zinc/40/90/86/1283409086.db2.gz QFYGBGMVXDRPEB-SNVBAGLBSA-N 0 1 363.385 0.885 20 30 FCEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1 ZINC001604522569 1287650288 /nfs/dbraw/zinc/65/02/88/1287650288.db2.gz ZRDYBPJURWXASN-ZWNOBZJWSA-N 0 1 351.374 0.963 20 30 FCEDMN Cc1nn(C)c(N2CCN(C(=O)NCc3n[nH]c(C(C)C)n3)CC2)c1C#N ZINC001682831906 1283786421 /nfs/dbraw/zinc/78/64/21/1283786421.db2.gz NNMKONOMLGHMKW-UHFFFAOYSA-N 0 1 371.449 0.874 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1CC#CCOC ZINC001590865645 1283935062 /nfs/dbraw/zinc/93/50/62/1283935062.db2.gz LEVSVKWAQSAYHA-SWLSCSKDSA-N 0 1 357.418 0.427 20 30 FCEDMN CN(CC(C)(C)CNc1ccncc1-c1nn[nH]n1)C(=O)C#CC1CC1 ZINC001591043441 1284102200 /nfs/dbraw/zinc/10/22/00/1284102200.db2.gz NCEXZURRYJPZAI-UHFFFAOYSA-N 0 1 353.430 0.994 20 30 FCEDMN COCC#CCN1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 ZINC001591360459 1284495979 /nfs/dbraw/zinc/49/59/79/1284495979.db2.gz DCGRFMKEUDLXQS-CRAIPNDOSA-N 0 1 369.429 0.571 20 30 FCEDMN COCC#CCN(C)CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001591362777 1284499786 /nfs/dbraw/zinc/49/97/86/1284499786.db2.gz XMEWAFWFGBJPIU-UHFFFAOYSA-N 0 1 359.434 0.627 20 30 FCEDMN COc1ccccc1S(=O)(=O)CCCn1cnc(-c2nn[nH]n2)c1C#N ZINC001591654509 1284782769 /nfs/dbraw/zinc/78/27/69/1284782769.db2.gz PXOQMRMPYCKNJW-UHFFFAOYSA-N 0 1 373.398 0.807 20 30 FCEDMN C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001591738358 1284867858 /nfs/dbraw/zinc/86/78/58/1284867858.db2.gz WLSOGGSRRVMPOH-VXGBXAGGSA-N 0 1 372.458 0.447 20 30 FCEDMN Cc1cc(N(C)CCOCCNC(=O)C#CC(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001591996924 1285050558 /nfs/dbraw/zinc/05/05/58/1285050558.db2.gz QOBXANKEAXRHSM-UHFFFAOYSA-N 0 1 371.445 0.799 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC001592334671 1285245021 /nfs/dbraw/zinc/24/50/21/1285245021.db2.gz DHEMAPAVYAFVON-BXUZGUMPSA-N 0 1 372.433 0.955 20 30 FCEDMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)CC#Cc1ccccc1 ZINC001604773722 1287775204 /nfs/dbraw/zinc/77/52/04/1287775204.db2.gz BLDVMQQKMRUQPT-UHFFFAOYSA-N 0 1 362.397 0.391 20 30 FCEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001604788424 1287781685 /nfs/dbraw/zinc/78/16/85/1287781685.db2.gz MGGJFEDRUXTTMU-CYBMUJFWSA-N 0 1 358.398 0.182 20 30 FCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001604788424 1287781690 /nfs/dbraw/zinc/78/16/90/1287781690.db2.gz MGGJFEDRUXTTMU-CYBMUJFWSA-N 0 1 358.398 0.182 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592679375 1285577564 /nfs/dbraw/zinc/57/75/64/1285577564.db2.gz OTPJUCBRFQIZHH-RYUDHWBXSA-N 0 1 372.458 0.637 20 30 FCEDMN N#CCSCC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592680238 1285579223 /nfs/dbraw/zinc/57/92/23/1285579223.db2.gz IPONZMNHBQXHPT-LLVKDONJSA-N 0 1 358.431 0.343 20 30 FCEDMN N#CCc1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001592681650 1285580224 /nfs/dbraw/zinc/58/02/24/1285580224.db2.gz FIXLPWOGWWUODB-UHFFFAOYSA-N 0 1 352.362 0.024 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N(Cc1ccccc1)C1CC1 ZINC001592681619 1285582168 /nfs/dbraw/zinc/58/21/68/1285582168.db2.gz GRPSEPZUHXSXNU-UHFFFAOYSA-N 0 1 363.385 0.708 20 30 FCEDMN N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)o3)C2)cc1 ZINC001592695780 1285588901 /nfs/dbraw/zinc/58/89/01/1285588901.db2.gz LFFJWCAHDWJVES-UHFFFAOYSA-N 0 1 372.366 0.783 20 30 FCEDMN N#Cc1cccc(-c2nn[nH]n2)c1N1CCC(O)(CN2CCOCC2)CC1 ZINC001592699168 1285588963 /nfs/dbraw/zinc/58/89/63/1285588963.db2.gz QKIMWOKQZAYHGL-UHFFFAOYSA-N 0 1 369.429 0.402 20 30 FCEDMN N#Cc1ncc(N2CCC(CN3CCCCC3=O)CC2)nc1-c1nn[nH]n1 ZINC001592708366 1285592935 /nfs/dbraw/zinc/59/29/35/1285592935.db2.gz LZNRKZFOOYPUJW-UHFFFAOYSA-N 0 1 367.417 0.757 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592768320 1285692152 /nfs/dbraw/zinc/69/21/52/1285692152.db2.gz HQZQIQYSNURDJR-CQSZACIVSA-N 0 1 366.429 0.935 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001592768304 1285693408 /nfs/dbraw/zinc/69/34/08/1285693408.db2.gz HGIGVVLGQFBHLM-HZPDHXFCSA-N 0 1 363.425 0.936 20 30 FCEDMN N#CC[C@H](NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)C(F)(F)F ZINC001601062088 1286625078 /nfs/dbraw/zinc/62/50/78/1286625078.db2.gz MGAWWLOGAPCYMF-GXFFZTMASA-N 0 1 364.324 0.402 20 30 FCEDMN N#CCCN(CCC#N)C(=O)C[NH+]1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001601067245 1286626103 /nfs/dbraw/zinc/62/61/03/1286626103.db2.gz UOLSBFFUKOYQCP-UHFFFAOYSA-N 0 1 362.430 0.724 20 30 FCEDMN N#Cc1ccc(N2CC[NH+](CCC(=O)NCC(=O)[O-])CC2)c(Cl)c1 ZINC001601105987 1286635582 /nfs/dbraw/zinc/63/55/82/1286635582.db2.gz JSHGBGJJBHCPAJ-UHFFFAOYSA-N 0 1 350.806 0.925 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C(=O)[O-])c1 ZINC001601112315 1286638588 /nfs/dbraw/zinc/63/85/88/1286638588.db2.gz YYIMKSOBBRACMD-OLZOCXBDSA-N 0 1 365.411 0.398 20 30 FCEDMN N#Cc1cccc(OCC[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1 ZINC001601123593 1286640706 /nfs/dbraw/zinc/64/07/06/1286640706.db2.gz KIPBKZWOSPFFKK-JSGCOSHPSA-N 0 1 358.354 0.016 20 30 FCEDMN COc1cc(C#N)ccc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001609339835 1289110576 /nfs/dbraw/zinc/11/05/76/1289110576.db2.gz PECCSJTYCMYJSY-UHFFFAOYSA-N 0 1 354.334 0.160 20 30 FCEDMN C#CCC1(O)CC[NH+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC001602700351 1287063791 /nfs/dbraw/zinc/06/37/91/1287063791.db2.gz VUFMWKWVYLWGDP-KRWDZBQOSA-N 0 1 356.422 0.875 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703451 1287064363 /nfs/dbraw/zinc/06/43/63/1287064363.db2.gz QTUXZWXPFXJVAL-AWEZNQCLSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602702333 1287064553 /nfs/dbraw/zinc/06/45/53/1287064553.db2.gz FQLHZKKQRWFZBT-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCCC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001602710657 1287067920 /nfs/dbraw/zinc/06/79/20/1287067920.db2.gz YHPYSFKGFAFGMQ-ZDUSSCGKSA-N 0 1 356.434 0.921 20 30 FCEDMN C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001602706289 1287069200 /nfs/dbraw/zinc/06/92/00/1287069200.db2.gz PUXFFDRUPQQXLA-AWEZNQCLSA-N 0 1 371.445 0.711 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602726085 1287085601 /nfs/dbraw/zinc/08/56/01/1287085601.db2.gz OVWPWUXJRTVOPO-ACJLOTCBSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001602726152 1287085935 /nfs/dbraw/zinc/08/59/35/1287085935.db2.gz PPMLLQBSDBWXIL-CYBMUJFWSA-N 0 1 357.418 0.585 20 30 FCEDMN C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001602736597 1287098761 /nfs/dbraw/zinc/09/87/61/1287098761.db2.gz AXISGPJAWUQRKS-HNNXBMFYSA-N 0 1 359.393 0.992 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](CC)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001602737465 1287100135 /nfs/dbraw/zinc/10/01/35/1287100135.db2.gz SAPPPSVNQZVVMF-ZDUSSCGKSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1cccc(NC(=O)NC(=O)CN2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC001602742863 1287103288 /nfs/dbraw/zinc/10/32/88/1287103288.db2.gz ALFPELWITCQEIE-CQSZACIVSA-N 0 1 372.425 0.797 20 30 FCEDMN C=CC(C)(C)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001602785108 1287114320 /nfs/dbraw/zinc/11/43/20/1287114320.db2.gz LXPFBUPJFBCDET-NWDGAFQWSA-N 0 1 372.433 0.315 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602784716 1287115347 /nfs/dbraw/zinc/11/53/47/1287115347.db2.gz WMFWBGRHVKPCAP-LLVKDONJSA-N 0 1 358.406 0.190 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001602790984 1287116046 /nfs/dbraw/zinc/11/60/46/1287116046.db2.gz WZJBDCAGDQJJGI-SIIHOXLZSA-N 0 1 371.445 0.838 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602792091 1287116182 /nfs/dbraw/zinc/11/61/82/1287116182.db2.gz DQLITFMGAPIEJY-QAPCUYQASA-N 0 1 371.445 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001602792865 1287116826 /nfs/dbraw/zinc/11/68/26/1287116826.db2.gz ILDFUEUVWIOIJM-SCLBCKFNSA-N 0 1 373.461 0.954 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602792384 1287117429 /nfs/dbraw/zinc/11/74/29/1287117429.db2.gz FVRINJZBIOQNOS-SCLBCKFNSA-N 0 1 371.445 0.840 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602793329 1287118705 /nfs/dbraw/zinc/11/87/05/1287118705.db2.gz MAPKWBFGKNRRAP-KRWDZBQOSA-N 0 1 371.445 0.852 20 30 FCEDMN C=CCCC(=O)NCCCN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001602827375 1287126896 /nfs/dbraw/zinc/12/68/96/1287126896.db2.gz WJOOKUUAUOECQA-UHFFFAOYSA-N 0 1 370.461 0.856 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602844202 1287134244 /nfs/dbraw/zinc/13/42/44/1287134244.db2.gz LRCWHAQYIOQYAX-OLZOCXBDSA-N 0 1 372.433 0.511 20 30 FCEDMN C=CCn1c(-c2ccc(-c3nn[nH]n3)n2C)nnc1N1CCN(CC)CC1 ZINC001602875279 1287145999 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N#Cc1ccc(F)cc1CN[C@@H]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001688961776 1294554107 /nfs/dbraw/zinc/55/41/07/1294554107.db2.gz WPHLYSANYHEALN-BLLLJJGKSA-N 0 1 357.393 0.759 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1c1cnn(C)c1 ZINC001689031718 1294577244 /nfs/dbraw/zinc/57/72/44/1294577244.db2.gz CLYXWUFQEVJGPW-RRQGHBQHSA-N 0 1 368.441 0.084 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N[C@H](C)C(=O)NC)C1 ZINC001689034121 1294579286 /nfs/dbraw/zinc/57/92/86/1294579286.db2.gz LUFWVZLAMCIHTE-HYVNUMGLSA-N 0 1 359.474 0.632 20 30 FCEDMN COCC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001689153881 1294624377 /nfs/dbraw/zinc/62/43/77/1294624377.db2.gz YHKQNMXXMLLYIA-QZTJIDSGSA-N 0 1 367.453 0.971 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CCN1CC#CCOC ZINC001689182931 1294653200 /nfs/dbraw/zinc/65/32/00/1294653200.db2.gz PTOKWRJVCGJRKU-JKSUJKDBSA-N 0 1 371.441 0.115 20 30 FCEDMN C=CCN1CC[C@H](N2CC[C@H](NC(=O)CCCC(N)=O)[C@H]2CC)C1=O ZINC001689199711 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WVDNSORUFSMEHI-CYBMUJFWSA-N 0 1 359.434 0.844 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573342760 947545853 /nfs/dbraw/zinc/54/58/53/947545853.db2.gz CITQCKFXOLKKBG-ZDUSSCGKSA-N 0 1 357.418 0.715 20 30 FCEDMN C=CCOCC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573343555 947560584 /nfs/dbraw/zinc/56/05/84/947560584.db2.gz QEPQCYQITGFRLF-UHFFFAOYSA-N 0 1 357.418 0.811 20 30 FCEDMN C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573347864 947576189 /nfs/dbraw/zinc/57/61/89/947576189.db2.gz JCLJCIZHBCCGSI-OLZOCXBDSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CCOCCCC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573347945 947578267 /nfs/dbraw/zinc/57/82/67/947578267.db2.gz KDWBYRCLVZDDPV-UHFFFAOYSA-N 0 1 372.433 0.678 20 30 FCEDMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c([N+](=O)[O-])c1 ZINC000826209493 947609913 /nfs/dbraw/zinc/60/99/13/947609913.db2.gz DZKWGOIYQFUIJJ-UHFFFAOYSA-N 0 1 369.301 0.490 20 30 FCEDMN N#Cc1ncc(N[C@@H](CO)C[C@H](O)c2ccccc2)nc1-c1nn[nH]n1 ZINC001570957516 949892728 /nfs/dbraw/zinc/89/27/28/949892728.db2.gz VLBPXYZXXPGIAN-YPMHNXCESA-N 0 1 352.358 0.425 20 30 FCEDMN N#CCCc1ccc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001570957778 949904746 /nfs/dbraw/zinc/90/47/46/949904746.db2.gz ZPQMIDOQBUQKLC-UHFFFAOYSA-N 0 1 352.362 0.736 20 30 FCEDMN N#CC1(C[C@H](O)CN2CCN(c3cnccc3-c3nn[nH]n3)CC2)CC1 ZINC001570968036 950245336 /nfs/dbraw/zinc/24/53/36/950245336.db2.gz ZLMIGWYPYMNQEE-ZDUSSCGKSA-N 0 1 354.418 0.438 20 30 FCEDMN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753776 950540470 /nfs/dbraw/zinc/54/04/70/950540470.db2.gz RWPJOTGGTZGPCJ-SNVBAGLBSA-N 0 1 351.374 0.456 20 30 FCEDMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575927751 950757129 /nfs/dbraw/zinc/75/71/29/950757129.db2.gz TWKIJFCIPJEHBO-MFKMUULPSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571032759 951556737 /nfs/dbraw/zinc/55/67/37/951556737.db2.gz NGTMCGYYGIGTDG-SJCJKPOMSA-N 0 1 367.417 0.635 20 30 FCEDMN COC[C@@]1(C(=O)[O-])C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC001593985305 956764806 /nfs/dbraw/zinc/76/48/06/956764806.db2.gz FJGSCBRXYJYIGY-MAUKXSAKSA-N 0 1 364.398 0.294 20 30 FCEDMN COC[C@@]1(C(=O)[O-])C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC001593985305 956764811 /nfs/dbraw/zinc/76/48/11/956764811.db2.gz FJGSCBRXYJYIGY-MAUKXSAKSA-N 0 1 364.398 0.294 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001588395301 958040453 /nfs/dbraw/zinc/04/04/53/958040453.db2.gz LJYSEEPOROJGTD-AWEZNQCLSA-N 0 1 364.446 0.049 20 30 FCEDMN Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@]3(C)C(=O)[O-])CC2)o1 ZINC001594444907 959318950 /nfs/dbraw/zinc/31/89/50/959318950.db2.gz DDNKFNUSIPOXOE-KRWDZBQOSA-N 0 1 361.402 0.442 20 30 FCEDMN Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@]3(C)C(=O)[O-])CC2)o1 ZINC001594444907 959318965 /nfs/dbraw/zinc/31/89/65/959318965.db2.gz DDNKFNUSIPOXOE-KRWDZBQOSA-N 0 1 361.402 0.442 20 30 FCEDMN N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001574489007 961698903 /nfs/dbraw/zinc/69/89/03/961698903.db2.gz FJLXBXLECDGQHH-BBRMVZONSA-N 0 1 350.396 0.365 20 30 FCEDMN N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001574489007 961698914 /nfs/dbraw/zinc/69/89/14/961698914.db2.gz FJLXBXLECDGQHH-BBRMVZONSA-N 0 1 350.396 0.365 20 30 FCEDMN C[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592654069 978635431 /nfs/dbraw/zinc/63/54/31/978635431.db2.gz DYFVQTJULOORHO-MCIONIFRSA-N 0 1 352.435 0.884 20 30 FCEDMN C[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592654069 978635432 /nfs/dbraw/zinc/63/54/32/978635432.db2.gz DYFVQTJULOORHO-MCIONIFRSA-N 0 1 352.435 0.884 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001588463614 983491725 /nfs/dbraw/zinc/49/17/25/983491725.db2.gz FHQCXYNMZLJWEX-UHFFFAOYSA-N 0 1 374.440 0.466 20 30 FCEDMN C=CCCCN(CC)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001588801731 984247046 /nfs/dbraw/zinc/24/70/46/984247046.db2.gz XIIGXKUJPPXLMP-SFHVURJKSA-N 0 1 367.446 0.189 20 30 FCEDMN C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c(OC)c1 ZINC001588886294 984471791 /nfs/dbraw/zinc/47/17/91/984471791.db2.gz FWFLVCJGVXCZMR-OWCLPIDISA-N 0 1 365.426 0.931 20 30 FCEDMN CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001589017085 985000376 /nfs/dbraw/zinc/00/03/76/985000376.db2.gz WTHKMOHYRMADJR-UHFFFAOYSA-N 0 1 371.488 0.752 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC001594509312 985772668 /nfs/dbraw/zinc/77/26/68/985772668.db2.gz QVEJAEVSGFDKLF-AWEZNQCLSA-N 0 1 372.425 0.524 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC001594509312 985772677 /nfs/dbraw/zinc/77/26/77/985772677.db2.gz QVEJAEVSGFDKLF-AWEZNQCLSA-N 0 1 372.425 0.524 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001594526481 986057028 /nfs/dbraw/zinc/05/70/28/986057028.db2.gz ZMBYARBQIWMAPJ-NSHDSACASA-N 0 1 355.391 0.867 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001594526481 986057034 /nfs/dbraw/zinc/05/70/34/986057034.db2.gz ZMBYARBQIWMAPJ-NSHDSACASA-N 0 1 355.391 0.867 20 30 FCEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589389405 986503911 /nfs/dbraw/zinc/50/39/11/986503911.db2.gz ZSCRKWFVHZHSMT-STQMWFEESA-N 0 1 360.418 0.954 20 30 FCEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589389405 986503916 /nfs/dbraw/zinc/50/39/16/986503916.db2.gz ZSCRKWFVHZHSMT-STQMWFEESA-N 0 1 360.418 0.954 20 30 FCEDMN CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1 ZINC001590948977 991002812 /nfs/dbraw/zinc/00/28/12/991002812.db2.gz IGDHPJNJGJFOMZ-UIBIWLFHSA-N 0 1 362.474 0.864 20 30 FCEDMN C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C[C@@H](C(=O)[O-])C1 ZINC001598603404 993600985 /nfs/dbraw/zinc/60/09/85/993600985.db2.gz GUWBMNZSKQTVBX-LBPRGKRZSA-N 0 1 360.370 0.002 20 30 FCEDMN COC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598824459 996366383 /nfs/dbraw/zinc/36/63/83/996366383.db2.gz ZWPKAQYRBYNAHJ-HUUCEWRRSA-N 0 1 359.382 0.739 20 30 FCEDMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598824459 996366386 /nfs/dbraw/zinc/36/63/86/996366386.db2.gz ZWPKAQYRBYNAHJ-HUUCEWRRSA-N 0 1 359.382 0.739 20 30 FCEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292345649 214094666 /nfs/dbraw/zinc/09/46/66/214094666.db2.gz QIKHPZIXPVOTLY-DOTOQJQBSA-N 0 1 372.473 0.752 20 30 FCEDMN N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000292312445 214092920 /nfs/dbraw/zinc/09/29/20/214092920.db2.gz VLHAVGVKFIVSSA-LSDHHAIUSA-N 0 1 358.358 0.572 20 30 FCEDMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292345661 214094484 /nfs/dbraw/zinc/09/44/84/214094484.db2.gz QIKHPZIXPVOTLY-WBVHZDCISA-N 0 1 372.473 0.752 20 30 FCEDMN CCc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1 ZINC000295391553 214295079 /nfs/dbraw/zinc/29/50/79/214295079.db2.gz QOZCCEUZALZMMP-JTQLQIEISA-N 0 1 362.415 0.222 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](c3n[nH]c(=O)o3)C2)nc1 ZINC000295323003 214292014 /nfs/dbraw/zinc/29/20/14/214292014.db2.gz LVKNYJULJOQFMD-LBPRGKRZSA-N 0 1 363.399 0.283 20 30 FCEDMN N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCCN(CCCO)C1)CC2 ZINC000296364400 214346576 /nfs/dbraw/zinc/34/65/76/214346576.db2.gz ZRSDGZLTDFVGSY-MRXNPFEDSA-N 0 1 356.426 0.410 20 30 FCEDMN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nn[nH]c1C(N)=O ZINC000291383022 214030612 /nfs/dbraw/zinc/03/06/12/214030612.db2.gz BKJZLAIAHIUROH-UHFFFAOYSA-N 0 1 353.346 0.006 20 30 FCEDMN CN1CCN(c2ncccc2CNS(=O)(=O)CCCCC#N)CC1 ZINC000068902101 529778445 /nfs/dbraw/zinc/77/84/45/529778445.db2.gz MOBVIWJHDMBOFP-UHFFFAOYSA-N 0 1 351.476 0.947 20 30 FCEDMN CN(CCC#N)C(=O)CCN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000130967586 529867280 /nfs/dbraw/zinc/86/72/80/529867280.db2.gz WXXZOTKMXNKORH-UHFFFAOYSA-N 0 1 356.434 0.247 20 30 FCEDMN CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCN1 ZINC000331910133 215066540 /nfs/dbraw/zinc/06/65/40/215066540.db2.gz ZXBWCFZPQGRYKZ-MRXNPFEDSA-N 0 1 356.426 0.669 20 30 FCEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000264886376 210007932 /nfs/dbraw/zinc/00/79/32/210007932.db2.gz DSORMWRVDLPIMM-CQSZACIVSA-N 0 1 353.426 0.666 20 30 FCEDMN C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCN1 ZINC000332462901 215157095 /nfs/dbraw/zinc/15/70/95/215157095.db2.gz JSWRQUDDIPAUGI-CYBMUJFWSA-N 0 1 359.405 0.166 20 30 FCEDMN C=CCOCCN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000931126479 674094224 /nfs/dbraw/zinc/09/42/24/674094224.db2.gz NMAHSRWGBIBSCR-UHFFFAOYSA-N 0 1 353.488 0.785 20 30 FCEDMN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCNCC2)c1C ZINC000415275388 245373101 /nfs/dbraw/zinc/37/31/01/245373101.db2.gz 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ZINC000841557725 670593672 /nfs/dbraw/zinc/59/36/72/670593672.db2.gz OQOLATCTCTVUMD-UHFFFAOYSA-N 0 1 350.368 0.692 20 30 FCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000843459920 670819488 /nfs/dbraw/zinc/81/94/88/670819488.db2.gz JLNFAEGJWMELLH-GDBMZVCRSA-N 0 1 358.423 0.346 20 30 FCEDMN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000843463654 670821095 /nfs/dbraw/zinc/82/10/95/670821095.db2.gz XMDAGVOATMJKPT-WFASDCNBSA-N 0 1 366.443 0.443 20 30 FCEDMN COCCNC(=O)CSc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843464062 670821508 /nfs/dbraw/zinc/82/15/08/670821508.db2.gz ZPRDIXMVFORZSR-TZMCWYRMSA-N 0 1 362.455 0.383 20 30 FCEDMN C[C@@H]1[C@H](C)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)CN1C ZINC000844640955 670931596 /nfs/dbraw/zinc/93/15/96/670931596.db2.gz LXHBMVDCLOAJFH-XQQFMLRXSA-N 0 1 364.471 0.665 20 30 FCEDMN C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1ccnc(C)c1 ZINC000848968630 671313544 /nfs/dbraw/zinc/31/35/44/671313544.db2.gz BMPNQBBHRUMYOS-UHFFFAOYSA-N 0 1 359.473 0.229 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)[C@@H](C)OC)CC1 ZINC001055534830 676022676 /nfs/dbraw/zinc/02/26/76/676022676.db2.gz NMKOMKSARZCHSW-BMFZPTHFSA-N 0 1 353.463 0.309 20 30 FCEDMN C=C[C@](C)(O)c1cn(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nn1 ZINC000881098293 673216871 /nfs/dbraw/zinc/21/68/71/673216871.db2.gz NFXHBJJPXGFPCN-PBHICJAKSA-N 0 1 351.451 0.145 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)CN1CCCC1 ZINC001057725554 676116900 /nfs/dbraw/zinc/11/69/00/676116900.db2.gz GTKXHVJPRBYDFS-RDJZCZTQSA-N 0 1 353.463 0.001 20 30 FCEDMN C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC1 ZINC000882527166 673320284 /nfs/dbraw/zinc/32/02/84/673320284.db2.gz SOMKRBGAYBWLFJ-UHFFFAOYSA-N 0 1 366.439 0.633 20 30 FCEDMN C#CC[C@@H](COC)NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883747622 673393760 /nfs/dbraw/zinc/39/37/60/673393760.db2.gz NOPVXZBKSUUDAF-IRXDYDNUSA-N 0 1 352.479 0.121 20 30 FCEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884249154 673441678 /nfs/dbraw/zinc/44/16/78/673441678.db2.gz FKMNKJSASWADEU-ICCXJUOJSA-N 0 1 364.199 0.758 20 30 FCEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884249155 673441786 /nfs/dbraw/zinc/44/17/86/673441786.db2.gz FKMNKJSASWADEU-JIMOISOXSA-N 0 1 364.199 0.758 20 30 FCEDMN N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)sc1Cl ZINC001041053270 675491555 /nfs/dbraw/zinc/49/15/55/675491555.db2.gz QHTGVYWKCIXIJX-GHMZBOCLSA-N 0 1 355.851 0.430 20 30 FCEDMN CN1CC(C(=O)N[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]2O)=NC1=O ZINC001041314611 675513465 /nfs/dbraw/zinc/51/34/65/675513465.db2.gz GGGBDYMRYGCKQD-HTRCEHHLSA-N 0 1 368.806 0.087 20 30 FCEDMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]2O)C1 ZINC001041343315 675515460 /nfs/dbraw/zinc/51/54/60/675515460.db2.gz ZJUUIWKDFBCTIF-MVWJERBFSA-N 0 1 369.878 0.676 20 30 FCEDMN CO[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001043025285 675561775 /nfs/dbraw/zinc/56/17/75/675561775.db2.gz MYXYKSZESRVKBW-HTQZYQBOSA-N 0 1 353.795 0.420 20 30 FCEDMN CCc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)c1Cl ZINC001044725294 675644925 /nfs/dbraw/zinc/64/49/25/675644925.db2.gz LPRHQXMIVWNGQL-NEPJUHHUSA-N 0 1 360.805 0.872 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2C[C@@H](NC(=O)c3ccn4cncc4c3)[C@@H](O)C2)c1 ZINC000969218169 1167820563 /nfs/dbraw/zinc/82/05/63/1167820563.db2.gz OLFHGKQWMKFNIN-CVEARBPZSA-N 0 1 364.365 0.149 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2O)cc1 ZINC000969477756 1167981571 /nfs/dbraw/zinc/98/15/71/1167981571.db2.gz HMEKRWFXXKQMMZ-MSOLQXFVSA-N 0 1 369.465 0.701 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2O)cc1 ZINC000969477756 1167981578 /nfs/dbraw/zinc/98/15/78/1167981578.db2.gz HMEKRWFXXKQMMZ-MSOLQXFVSA-N 0 1 369.465 0.701 20 30 FCEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC001020605892 1168153532 /nfs/dbraw/zinc/15/35/32/1168153532.db2.gz HIXXZJYPJRFPRP-WSMBLCCSSA-N 0 1 361.446 0.824 20 30 FCEDMN C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)CC1 ZINC000969870872 1168170236 /nfs/dbraw/zinc/17/02/36/1168170236.db2.gz DYIHMQOQNSCJNG-SJORKVTESA-N 0 1 361.486 0.456 20 30 FCEDMN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCc3ccccc3C#N)C2)O1 ZINC000969938889 1168216024 /nfs/dbraw/zinc/21/60/24/1168216024.db2.gz CEEBWJVRHVPTIM-FGTMMUONSA-N 0 1 370.453 0.885 20 30 FCEDMN CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001125327188 1168444819 /nfs/dbraw/zinc/44/48/19/1168444819.db2.gz HVYKYKNKXFIDSF-MGPQQGTHSA-N 0 1 355.402 0.131 20 30 FCEDMN CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001125327404 1168444918 /nfs/dbraw/zinc/44/49/18/1168444918.db2.gz NZEYPMBUHWWCTK-RRFJBIMHSA-N 0 1 354.414 0.736 20 30 FCEDMN C=C[C@@H](C(=O)N1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1)c1ccccc1 ZINC000970362637 1168815701 /nfs/dbraw/zinc/81/57/01/1168815701.db2.gz VQFYIPDXWFMIKI-YUELXQCFSA-N 0 1 358.373 0.820 20 30 FCEDMN C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 ZINC001021230179 1168839005 /nfs/dbraw/zinc/83/90/05/1168839005.db2.gz MICGHMGGTKMEHQ-BHYGNILZSA-N 0 1 355.442 0.489 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2O)c1 ZINC000970408548 1168844171 /nfs/dbraw/zinc/84/41/71/1168844171.db2.gz CDPUCDGQMVQCNL-KURKYZTESA-N 0 1 370.453 0.239 20 30 FCEDMN C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000970419231 1168847447 /nfs/dbraw/zinc/84/74/47/1168847447.db2.gz ZDNFFXSCLGNEQS-OAUYIBNBSA-N 0 1 356.426 0.528 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)[C@@H]3C2)nc1 ZINC001021235703 1168848358 /nfs/dbraw/zinc/84/83/58/1168848358.db2.gz KVMMDTHJWJAQNW-CGTJXYLNSA-N 0 1 352.438 0.830 20 30 FCEDMN N#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3n[nH]c4ccccc43)[C@@H](O)C2)[nH]1 ZINC000970520908 1169027293 /nfs/dbraw/zinc/02/72/93/1169027293.db2.gz QVOYDAMLYYOSCK-CABCVRRESA-N 0 1 364.365 0.378 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)CCc4nc[nH]n4)[C@@H]3C2)c1 ZINC001021332233 1169064069 /nfs/dbraw/zinc/06/40/69/1169064069.db2.gz KLAFBUCJXFRJQL-GXTWGEPZSA-N 0 1 353.386 0.310 20 30 FCEDMN CN1CC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)=NC1=O ZINC001021414344 1169286657 /nfs/dbraw/zinc/28/66/57/1169286657.db2.gz OYAUQCKABLLYQS-IINYFYTJSA-N 0 1 354.370 0.312 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1O ZINC000970707575 1169358922 /nfs/dbraw/zinc/35/89/22/1169358922.db2.gz RDRNDWCKRSNFSP-OJLVUWQFSA-N 0 1 370.409 0.456 20 30 FCEDMN C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)Cc4ccn[nH]4)C[C@H]32)nn1 ZINC001021687380 1169886257 /nfs/dbraw/zinc/88/62/57/1169886257.db2.gz AYXLSSIJSJNHPG-SWLSCSKDSA-N 0 1 355.402 0.103 20 30 FCEDMN C#CCN1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cc4ccon4)C[C@H]32)CC1 ZINC001021883393 1170243729 /nfs/dbraw/zinc/24/37/29/1170243729.db2.gz FYKSSFUTHDJEGZ-FUHWJXTLSA-N 0 1 370.453 0.622 20 30 FCEDMN 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C[C@H](C(=O)NCc1cn[nH]n1)[N@H+]1CCC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225265 1271824477 /nfs/dbraw/zinc/82/44/77/1271824477.db2.gz VRIOGRMNBSWTJS-HUUCEWRRSA-N 0 1 374.489 0.687 20 30 FCEDMN C[C@@H](C(=O)NCc1cn[nH]n1)[N@H+]1CCC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225263 1271824607 /nfs/dbraw/zinc/82/46/07/1271824607.db2.gz VRIOGRMNBSWTJS-GJZGRUSLSA-N 0 1 374.489 0.687 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575318989 1271917576 /nfs/dbraw/zinc/91/75/76/1271917576.db2.gz UZZWVRCBADFXQO-LZWOXQAQSA-N 0 1 358.446 0.192 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H](C)C1CCN([C@H](C)C(=O)NCc2cn[nH]n2)CC1 ZINC001575318432 1271918287 /nfs/dbraw/zinc/91/82/87/1271918287.db2.gz JLCKHAOXNQXCSJ-LSDHHAIUSA-N 0 1 374.489 0.686 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1CCN1C(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575317924 1271918606 /nfs/dbraw/zinc/91/86/06/1271918606.db2.gz CZBLOJHVEFMXRP-OAHLLOKOSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@H](O)CNC(=O)c1cccc(Oc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001575482784 1272153291 /nfs/dbraw/zinc/15/32/91/1272153291.db2.gz UYTRMEILBSZKSB-VIFPVBQESA-N 0 1 366.341 0.431 20 30 FCEDMN C[C@@H](CNC(=O)C#CC1CC1)N(C)C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575566718 1272203222 /nfs/dbraw/zinc/20/32/22/1272203222.db2.gz LTRXCMKPWXLZNY-LBPRGKRZSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575649379 1272256776 /nfs/dbraw/zinc/25/67/76/1272256776.db2.gz HCRWVRJLZKQMQS-NSHDSACASA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575649379 1272256781 /nfs/dbraw/zinc/25/67/81/1272256781.db2.gz HCRWVRJLZKQMQS-NSHDSACASA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001575718122 1272365570 /nfs/dbraw/zinc/36/55/70/1272365570.db2.gz HVCSKBBXWDTOKI-RISCZKNCSA-N 0 1 371.401 0.283 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001575718123 1272366135 /nfs/dbraw/zinc/36/61/35/1272366135.db2.gz HVCSKBBXWDTOKI-SMDDNHRTSA-N 0 1 371.401 0.283 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@H](N(C)c2ccncc2C#N)C1 ZINC001575742625 1272411323 /nfs/dbraw/zinc/41/13/23/1272411323.db2.gz PGKOISMAQVEGQL-DOMZBBRYSA-N 0 1 355.402 0.714 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](N(C)c2ccncc2C#N)C1 ZINC001575742626 1272411336 /nfs/dbraw/zinc/41/13/36/1272411336.db2.gz PGKOISMAQVEGQL-IUODEOHRSA-N 0 1 355.402 0.714 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CC[C@H](CN(C)c2ccc(C#N)nc2)C1 ZINC001575741733 1272411659 /nfs/dbraw/zinc/41/16/59/1272411659.db2.gz KROVHZJMMHGDMY-UONOGXRCSA-N 0 1 369.429 0.961 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC001575741512 1272412120 /nfs/dbraw/zinc/41/21/20/1272412120.db2.gz JSDQRAROXUTYJC-CYBMUJFWSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCCC[C@H]1CNc1cnc(C#N)cn1 ZINC001575822417 1272482313 /nfs/dbraw/zinc/48/23/13/1272482313.db2.gz IYLHXQPCUOHPNL-WFASDCNBSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001575822554 1272482502 /nfs/dbraw/zinc/48/25/02/1272482502.db2.gz KHZSGBGKJAMOSX-VXGBXAGGSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NCC#N)C1 ZINC001575833813 1272499826 /nfs/dbraw/zinc/49/98/26/1272499826.db2.gz CNVBTYHQSJVCOW-AFAVFJNCSA-N 0 1 372.404 0.957 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC1CN(Cc2cc(C#N)ccc2F)C1 ZINC001575848196 1272522976 /nfs/dbraw/zinc/52/29/76/1272522976.db2.gz RSWZSJWUXVLMNE-LLVKDONJSA-N 0 1 358.377 0.721 20 30 FCEDMN C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575999565 1272678802 /nfs/dbraw/zinc/67/88/02/1272678802.db2.gz OEVSMOZQQAXJQY-QGZVFWFLSA-N 0 1 371.401 0.332 20 30 FCEDMN C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576063495 1272813164 /nfs/dbraw/zinc/81/31/64/1272813164.db2.gz SYAUUWDARLHFII-CHWSQXEVSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1CNc1cncc(C#N)n1 ZINC001576123857 1272916878 /nfs/dbraw/zinc/91/68/78/1272916878.db2.gz NBWTVDFILSXTMW-QWHCGFSZSA-N 0 1 370.417 0.580 20 30 FCEDMN C[C@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001576126735 1272922170 /nfs/dbraw/zinc/92/21/70/1272922170.db2.gz WFXFRQOABPZUDK-SMDDNHRTSA-N 0 1 356.390 0.332 20 30 FCEDMN CC[C@@H](CNC(=O)C#CC(C)C)NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001576235781 1273004065 /nfs/dbraw/zinc/00/40/65/1273004065.db2.gz FLEYRMFCGOLVMW-HOCLYGCPSA-N 0 1 360.462 0.440 20 30 FCEDMN CCCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H](C)OCc1c[nH]nn1 ZINC001576480585 1273320512 /nfs/dbraw/zinc/32/05/12/1273320512.db2.gz SENRUKWBRFUOBB-LBPRGKRZSA-N 0 1 373.417 0.578 20 30 FCEDMN CCN(CCCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001576523824 1273410688 /nfs/dbraw/zinc/41/06/88/1273410688.db2.gz GZQGKBIBIZSGED-GFCCVEGCSA-N 0 1 373.417 0.578 20 30 FCEDMN CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001576869647 1273844460 /nfs/dbraw/zinc/84/44/60/1273844460.db2.gz DBUHXTMNYFRGFT-AWEZNQCLSA-N 0 1 354.418 0.916 20 30 FCEDMN C[C@@H](CNC(=O)c1cccnc1OCc1c[nH]nn1)NC(=O)C#CC1CC1 ZINC001577134592 1274185533 /nfs/dbraw/zinc/18/55/33/1274185533.db2.gz HVAJXCIPONGBEX-LBPRGKRZSA-N 0 1 368.397 0.427 20 30 FCEDMN Cc1cc(N(C)CCN(C)C(=O)[C@@H](C)OCc2c[nH]nn2)c(C#N)cn1 ZINC001577338772 1274347086 /nfs/dbraw/zinc/34/70/86/1274347086.db2.gz MJFYOJRZWRJRRV-CYBMUJFWSA-N 0 1 357.418 0.880 20 30 FCEDMN Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)CCCc2c[nH]nn2)n1 ZINC001577354597 1274366337 /nfs/dbraw/zinc/36/63/37/1274366337.db2.gz LLCRVSJIJDRUEA-INIZCTEOSA-N 0 1 371.445 0.658 20 30 FCEDMN Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)CCCc2cnn[nH]2)n1 ZINC001577354597 1274366342 /nfs/dbraw/zinc/36/63/42/1274366342.db2.gz LLCRVSJIJDRUEA-INIZCTEOSA-N 0 1 371.445 0.658 20 30 FCEDMN CCC[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[N@H+]1CCOC ZINC001577392976 1274392056 /nfs/dbraw/zinc/39/20/56/1274392056.db2.gz NNARAIIJUCKVFC-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN CCC[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[N@@H+]1CCOC ZINC001577392976 1274392070 /nfs/dbraw/zinc/39/20/70/1274392070.db2.gz NNARAIIJUCKVFC-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN CCC[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[N@H+]1CCOC ZINC001577392976 1274392073 /nfs/dbraw/zinc/39/20/73/1274392073.db2.gz NNARAIIJUCKVFC-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN Cc1ncc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)c(C)n1 ZINC001577562551 1274514609 /nfs/dbraw/zinc/51/46/09/1274514609.db2.gz MDSNKMCBESIMJA-UHFFFAOYSA-N 0 1 354.418 0.842 20 30 FCEDMN N#CCN1CC[C@@H](N2CCN(C(=O)c3cncc(-c4cn[nH]n4)c3)CC2)C1 ZINC001577706398 1274767296 /nfs/dbraw/zinc/76/72/96/1274767296.db2.gz FUISLTJQQWTNIY-MRXNPFEDSA-N 0 1 366.429 0.222 20 30 FCEDMN N#CCN1CC2(C1)C[C@H](NC(=O)Cc1ccccc1-c1cn[nH]n1)CO2 ZINC001577706412 1274767998 /nfs/dbraw/zinc/76/79/98/1274767998.db2.gz GGDPTKPULUNYRF-AWEZNQCLSA-N 0 1 352.398 0.497 20 30 FCEDMN N#CCSCC(=O)N1CC[C@@H](NC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001577709901 1274769629 /nfs/dbraw/zinc/76/96/29/1274769629.db2.gz HGZGZQWHLSCCFV-CYBMUJFWSA-N 0 1 371.426 0.454 20 30 FCEDMN N#Cc1cc(C(=O)NC2CN(C(=O)c3cncc(-c4cn[nH]n4)c3)C2)c[nH]1 ZINC001577712230 1274771155 /nfs/dbraw/zinc/77/11/55/1274771155.db2.gz FVFICAOWFLXXJW-UHFFFAOYSA-N 0 1 362.353 0.321 20 30 FCEDMN N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)C[C@@H]21 ZINC001577710276 1274772009 /nfs/dbraw/zinc/77/20/09/1274772009.db2.gz VVEYOVZVAYIPHB-BPQIPLTHSA-N 0 1 371.489 0.757 20 30 FCEDMN N#CCSCC(=O)NCC1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001577710142 1274772290 /nfs/dbraw/zinc/77/22/90/1274772290.db2.gz QKTZLQWFOCVALF-UHFFFAOYSA-N 0 1 362.459 0.349 20 30 FCEDMN N#CCSCC(=O)NCC1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001577710142 1274772293 /nfs/dbraw/zinc/77/22/93/1274772293.db2.gz QKTZLQWFOCVALF-UHFFFAOYSA-N 0 1 362.459 0.349 20 30 FCEDMN N#Cc1cc(C(=O)N[C@H](CNC(=O)CCCc2c[nH]nn2)C2CC2)c[nH]1 ZINC001577712604 1274773629 /nfs/dbraw/zinc/77/36/29/1274773629.db2.gz RVMKWDXICBQMBN-OAHLLOKOSA-N 0 1 355.402 0.652 20 30 FCEDMN N#Cc1cc(C(=O)N[C@H](CNC(=O)CCCc2cnn[nH]2)C2CC2)c[nH]1 ZINC001577712604 1274773638 /nfs/dbraw/zinc/77/36/38/1274773638.db2.gz RVMKWDXICBQMBN-OAHLLOKOSA-N 0 1 355.402 0.652 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3c[nH]nn3)CC3(CCOCC3)C2)[nH]1 ZINC001577712392 1274774686 /nfs/dbraw/zinc/77/46/86/1274774686.db2.gz LGTRVRBLSACUOR-AWEZNQCLSA-N 0 1 369.429 0.806 20 30 FCEDMN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)cn1 ZINC001577717655 1274777333 /nfs/dbraw/zinc/77/73/33/1274777333.db2.gz LRHMSWNTAHYSFD-UXLLHSPISA-N 0 1 366.429 0.795 20 30 FCEDMN N#Cc1nccc(N[C@H]2C[C@H](NC(=O)c3ccc(-c4cn[nH]n4)cc3)C2)n1 ZINC001577719030 1274782448 /nfs/dbraw/zinc/78/24/48/1274782448.db2.gz GCFXQBCWCIDHFL-HDJSIYSDSA-N 0 1 360.381 0.928 20 30 FCEDMN CCN(CCNC(=O)[C@H](C)C#N)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001577924110 1275133034 /nfs/dbraw/zinc/13/30/34/1275133034.db2.gz TXSAZYNQFQNRKS-GFCCVEGCSA-N 0 1 357.418 0.973 20 30 FCEDMN CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccnc(-c2nn[nH]n2)n1 ZINC001578067332 1275366830 /nfs/dbraw/zinc/36/68/30/1275366830.db2.gz WTQUORRQKOJPNY-UHFFFAOYSA-N 0 1 352.362 0.113 20 30 FCEDMN CCOC(=O)C1([C@H](C)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCOCC1 ZINC001578242652 1275544250 /nfs/dbraw/zinc/54/42/50/1275544250.db2.gz MECWCOUSFKLDJI-JTQLQIEISA-N 0 1 372.389 0.689 20 30 FCEDMN CCOC(=O)[C@]1(C(C)C)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001578243080 1275545028 /nfs/dbraw/zinc/54/50/28/1275545028.db2.gz TXPRZBDNIJIWEN-MRXNPFEDSA-N 0 1 356.390 0.944 20 30 FCEDMN CCO[C@H]1C[C@H](O)C12CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 ZINC001578335504 1275684603 /nfs/dbraw/zinc/68/46/03/1275684603.db2.gz RNPSEJQQDWXUPJ-RYUDHWBXSA-N 0 1 356.390 0.285 20 30 FCEDMN COCc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H]1CNC[C@H]1C#N ZINC001579091534 1276727321 /nfs/dbraw/zinc/72/73/21/1276727321.db2.gz SZCFJSIECITLGT-OLZOCXBDSA-N 0 1 353.400 0.009 20 30 FCEDMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579116809 1276787636 /nfs/dbraw/zinc/78/76/36/1276787636.db2.gz HUQLPYPYTBXUGR-UHFFFAOYSA-N 0 1 366.389 0.455 20 30 FCEDMN C[N@@H+]1C[C@@]23CN(c4cnc(-c5nnn[n-]5)c(C#N)n4)C[C@]2(C1)CCCC3 ZINC001579323502 1277140380 /nfs/dbraw/zinc/14/03/80/1277140380.db2.gz VCDMUARLPAAONU-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN C[N@H+]1C[C@@]23CN(c4cnc(-c5nnn[n-]5)c(C#N)n4)C[C@]2(C1)CCCC3 ZINC001579323502 1277140382 /nfs/dbraw/zinc/14/03/82/1277140382.db2.gz VCDMUARLPAAONU-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN C[N@@H+]1C[C@@]23CN(c4cnc(-c5nn[n-]n5)c(C#N)n4)C[C@]2(C1)CCCC3 ZINC001579323502 1277140384 /nfs/dbraw/zinc/14/03/84/1277140384.db2.gz VCDMUARLPAAONU-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN C[N@H+]1C[C@@]23CN(c4cnc(-c5nn[n-]n5)c(C#N)n4)C[C@]2(C1)CCCC3 ZINC001579323502 1277140388 /nfs/dbraw/zinc/14/03/88/1277140388.db2.gz VCDMUARLPAAONU-CALCHBBNSA-N 0 1 351.418 0.841 20 30 FCEDMN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579433674 1277301297 /nfs/dbraw/zinc/30/12/97/1277301297.db2.gz MIOCCDRZTRQDAO-VHSXEESVSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579433792 1277304169 /nfs/dbraw/zinc/30/41/69/1277304169.db2.gz PFVKNELBRKGKHF-NXEZZACHSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)Cc2ccccc21 ZINC001579446610 1277335007 /nfs/dbraw/zinc/33/50/07/1277335007.db2.gz MXUULSVQXSQGKD-LBPRGKRZSA-N 0 1 362.353 0.805 20 30 FCEDMN Cc1ccc(NC(=O)C2CCN(C(=O)N[C@@H]3CNC[C@H]3C#N)CC2)nc1 ZINC001579715482 1277817362 /nfs/dbraw/zinc/81/73/62/1277817362.db2.gz SWFDIOGGTCKJIJ-HUUCEWRRSA-N 0 1 356.430 0.862 20 30 FCEDMN Cc1cccc([C@H](CNC(=O)N[C@@H]2CNC[C@H]2C#N)N2CCOCC2)c1 ZINC001579751077 1277861773 /nfs/dbraw/zinc/86/17/73/1277861773.db2.gz DQWKKSRHMGOYIA-KURKYZTESA-N 0 1 357.458 0.779 20 30 FCEDMN Cc1cccc([C@H](CNC(=O)N[C@H]2CNC[C@@H]2C#N)N2CCOCC2)c1 ZINC001579751075 1277862515 /nfs/dbraw/zinc/86/25/15/1277862515.db2.gz DQWKKSRHMGOYIA-BZSNNMDCSA-N 0 1 357.458 0.779 20 30 FCEDMN COCCN(Cc1c(C)nn(C)c1C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579810002 1277921020 /nfs/dbraw/zinc/92/10/20/1277921020.db2.gz LQEXOPTZZCPTOL-UHFFFAOYSA-N 0 1 368.405 0.532 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603189711 1287326595 /nfs/dbraw/zinc/32/65/95/1287326595.db2.gz QTKDTHAZDJZNIA-QGZVFWFLSA-N 0 1 354.418 0.389 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001603190001 1287326929 /nfs/dbraw/zinc/32/69/29/1287326929.db2.gz TVLVNIBVOMJDSY-XMQYKBBCSA-N 0 1 351.414 0.720 20 30 FCEDMN CC(C)C#CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603189991 1287326973 /nfs/dbraw/zinc/32/69/73/1287326973.db2.gz SXONYDJEBGWSNA-UONOGXRCSA-N 0 1 368.445 0.777 20 30 FCEDMN Cc1cc(N[C@@H](C)CCNC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990895 1279193703 /nfs/dbraw/zinc/19/37/03/1279193703.db2.gz KABRBLLEJQTBNS-JTQLQIEISA-N 0 1 365.401 0.812 20 30 FCEDMN CC(C)[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001603215272 1287333712 /nfs/dbraw/zinc/33/37/12/1287333712.db2.gz JUKXJRJNHNUEEV-HNNXBMFYSA-N 0 1 365.401 0.750 20 30 FCEDMN Cc1cc(NCC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026591 1279259177 /nfs/dbraw/zinc/25/91/77/1279259177.db2.gz MPZNABSPEVUIJE-SNVBAGLBSA-N 0 1 365.401 0.812 20 30 FCEDMN N#CCSCC(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581858652 1280609979 /nfs/dbraw/zinc/60/99/79/1280609979.db2.gz PHAKXGVQCVRZPH-LBPRGKRZSA-N 0 1 372.458 0.733 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001581858662 1280610386 /nfs/dbraw/zinc/61/03/86/1280610386.db2.gz PUEGANYPQJWILT-YABSGUDNSA-N 0 1 356.415 0.069 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c[nH]1 ZINC001581864172 1280616405 /nfs/dbraw/zinc/61/64/05/1280616405.db2.gz JNNQTBFOFCATTN-ZDUSSCGKSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1cc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581864719 1280618668 /nfs/dbraw/zinc/61/86/68/1280618668.db2.gz KEQOZIMVBGLJOK-UMSPYCQHSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1cc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c[nH]1 ZINC001581866178 1280620782 /nfs/dbraw/zinc/62/07/82/1280620782.db2.gz VDJFSXHORYWVAC-UHFFFAOYSA-N 0 1 363.385 0.860 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001581867264 1280622827 /nfs/dbraw/zinc/62/28/27/1280622827.db2.gz AOLDCCXQXJZADF-LLVKDONJSA-N 0 1 363.385 0.718 20 30 FCEDMN N#Cc1nc(N2CCC(C[NH+]3CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878587 1280635956 /nfs/dbraw/zinc/63/59/56/1280635956.db2.gz SHYZZNQRGHRKEC-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN N#Cc1nc(N2CCC(C[NH+]3CCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878587 1280635960 /nfs/dbraw/zinc/63/59/60/1280635960.db2.gz SHYZZNQRGHRKEC-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1-c1nnn[n-]1 ZINC001581880679 1280641116 /nfs/dbraw/zinc/64/11/16/1280641116.db2.gz RUZGUAFEFNNSQO-NSHDSACASA-N 0 1 355.406 0.441 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1-c1nn[n-]n1 ZINC001581880679 1280641123 /nfs/dbraw/zinc/64/11/23/1280641123.db2.gz RUZGUAFEFNNSQO-NSHDSACASA-N 0 1 355.406 0.441 20 30 FCEDMN N#Cc1ncc(N2CCC(N3CCCOC3=O)CC2)nc1-c1nn[nH]n1 ZINC001581881801 1280641911 /nfs/dbraw/zinc/64/19/11/1280641911.db2.gz AKPFZRZUNJAECG-UHFFFAOYSA-N 0 1 355.362 0.339 20 30 FCEDMN N#Cc1ncc(N2CCn3c(nnc3C3CCCC3)C2)nc1-c1nn[nH]n1 ZINC001581882472 1280643103 /nfs/dbraw/zinc/64/31/03/1280643103.db2.gz ABENKRHSVWHBRV-UHFFFAOYSA-N 0 1 363.389 0.798 20 30 FCEDMN N#Cc1ncc(N2CCn3ncc(Br)c3C2)nc1-c1nn[nH]n1 ZINC001581882686 1280643894 /nfs/dbraw/zinc/64/38/94/1280643894.db2.gz FTAXNJQNNROSNN-UHFFFAOYSA-N 0 1 373.178 0.508 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCN(c3ccc(F)cc3)C2=O)nc1-c1nn[nH]n1 ZINC001581882544 1280644132 /nfs/dbraw/zinc/64/41/32/1280644132.db2.gz CICRIFHUDYSHBO-LLVKDONJSA-N 0 1 365.332 0.885 20 30 FCEDMN N#Cc1ncc(N2CCC(CC(=O)N3CCCC3)CC2)nc1-c1nn[nH]n1 ZINC001581882132 1280644637 /nfs/dbraw/zinc/64/46/37/1280644637.db2.gz MEXXYYZATPGBLF-UHFFFAOYSA-N 0 1 367.417 0.757 20 30 FCEDMN N#Cc1ncc(NCc2ccc(N3CCOCC3)nc2)nc1-c1nn[nH]n1 ZINC001581883908 1280649087 /nfs/dbraw/zinc/64/90/87/1280649087.db2.gz BOJGVNRPIGNMJN-UHFFFAOYSA-N 0 1 364.373 0.372 20 30 FCEDMN N#Cc1ncc(NC[C@@H]2CCN(CC(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581884420 1280651263 /nfs/dbraw/zinc/65/12/63/1280651263.db2.gz ZCYCBCDLLWNNHD-QMMMGPOBSA-N 0 1 353.312 0.824 20 30 FCEDMN Cn1cc(CNC(=O)NCCN2CC[C@@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC001634175162 1282306177 /nfs/dbraw/zinc/30/61/77/1282306177.db2.gz VDHVEMMOVIRDEE-QGZVFWFLSA-N 0 1 368.441 0.825 20 30 FCEDMN C#C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)[C@H]1CCCO1 ZINC001588330052 1282421524 /nfs/dbraw/zinc/42/15/24/1282421524.db2.gz UCLDYHQHUBCBNX-WDEREUQCSA-N 0 1 360.399 0.600 20 30 FCEDMN C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335967 1282429888 /nfs/dbraw/zinc/42/98/88/1282429888.db2.gz DNKFCVKDJXKCLU-STQMWFEESA-N 0 1 354.418 0.389 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001588338935 1282432619 /nfs/dbraw/zinc/43/26/19/1282432619.db2.gz RDCZHJAUEJXMRX-GFCCVEGCSA-N 0 1 354.418 0.791 20 30 FCEDMN C#CCCCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588340039 1282434863 /nfs/dbraw/zinc/43/48/63/1282434863.db2.gz CQSLMTJYXAMWML-ZDUSSCGKSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCCC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588341240 1282435568 /nfs/dbraw/zinc/43/55/68/1282435568.db2.gz BYUMRTMJNQYFTC-UHFFFAOYSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001588340933 1282436163 /nfs/dbraw/zinc/43/61/63/1282436163.db2.gz MKFNVKPIVXHJBH-HZPDHXFCSA-N 0 1 354.414 0.332 20 30 FCEDMN C#CCCCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588340614 1282436258 /nfs/dbraw/zinc/43/62/58/1282436258.db2.gz XVYTVURAMBNTJV-SFHVURJKSA-N 0 1 369.429 0.431 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001588342284 1282437795 /nfs/dbraw/zinc/43/77/95/1282437795.db2.gz XBPQUNQCWZWBAO-QWHCGFSZSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001588342285 1282438565 /nfs/dbraw/zinc/43/85/65/1282438565.db2.gz XBPQUNQCWZWBAO-STQMWFEESA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344400 1282440097 /nfs/dbraw/zinc/44/00/97/1282440097.db2.gz OMYBFYSJUAJCPW-AWEZNQCLSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCN(C(=O)C1CC1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588347870 1282442741 /nfs/dbraw/zinc/44/27/41/1282442741.db2.gz YSBVHTFRRPALCH-UHFFFAOYSA-N 0 1 352.402 0.497 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001588349743 1282444198 /nfs/dbraw/zinc/44/41/98/1282444198.db2.gz XTLFIILCIHZQCY-UHFFFAOYSA-N 0 1 366.422 0.548 20 30 FCEDMN C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001588349743 1282444202 /nfs/dbraw/zinc/44/42/02/1282444202.db2.gz XTLFIILCIHZQCY-UHFFFAOYSA-N 0 1 366.422 0.548 20 30 FCEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588349398 1282445344 /nfs/dbraw/zinc/44/53/44/1282445344.db2.gz DBSYHOIVUPLQQT-UHFFFAOYSA-N 0 1 374.470 0.726 20 30 FCEDMN C#CCN1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CCOCC2)C1 ZINC001588351790 1282446549 /nfs/dbraw/zinc/44/65/49/1282446549.db2.gz KGCFJDQOJIMHIX-CQSZACIVSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355597 1282454827 /nfs/dbraw/zinc/45/48/27/1282454827.db2.gz KDMBKCZKSIRKII-NWDGAFQWSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355597 1282454832 /nfs/dbraw/zinc/45/48/32/1282454832.db2.gz KDMBKCZKSIRKII-NWDGAFQWSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCN(CC)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588357354 1282465302 /nfs/dbraw/zinc/46/53/02/1282465302.db2.gz LTJZCYUFCGASJA-ZDUSSCGKSA-N 0 1 374.420 0.982 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588358426 1282469355 /nfs/dbraw/zinc/46/93/55/1282469355.db2.gz RQYAHPMCIWDXPO-CYBMUJFWSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCOCCC(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588359396 1282475179 /nfs/dbraw/zinc/47/51/79/1282475179.db2.gz NGBYAGUVPWLOCW-CQSZACIVSA-N 0 1 369.429 0.517 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588359657 1282477391 /nfs/dbraw/zinc/47/73/91/1282477391.db2.gz WCAVIKIABSSRJQ-LBPRGKRZSA-N 0 1 360.443 0.659 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588359657 1282477395 /nfs/dbraw/zinc/47/73/95/1282477395.db2.gz WCAVIKIABSSRJQ-LBPRGKRZSA-N 0 1 360.443 0.659 20 30 FCEDMN C#CCOCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588360801 1282480600 /nfs/dbraw/zinc/48/06/00/1282480600.db2.gz WBOLGKVRNSCARF-BLLLJJGKSA-N 0 1 369.429 0.291 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588361401 1282482138 /nfs/dbraw/zinc/48/21/38/1282482138.db2.gz LQMJRWMFNDOLCS-ZIAGYGMSSA-N 0 1 369.429 0.420 20 30 FCEDMN C#CCOCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588361169 1282482861 /nfs/dbraw/zinc/48/28/61/1282482861.db2.gz GELBMCUGPLPTBQ-UHFFFAOYSA-N 0 1 374.470 0.953 20 30 FCEDMN C#CCOCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588361169 1282482866 /nfs/dbraw/zinc/48/28/66/1282482866.db2.gz GELBMCUGPLPTBQ-UHFFFAOYSA-N 0 1 374.470 0.953 20 30 FCEDMN C#CCOCCC(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362215 1282487004 /nfs/dbraw/zinc/48/70/04/1282487004.db2.gz YFDOLPJZCWDPQE-UHFFFAOYSA-N 0 1 369.429 0.339 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588362345 1282487677 /nfs/dbraw/zinc/48/76/77/1282487677.db2.gz AVKFNWZXZXSFBM-BETUJISGSA-N 0 1 355.402 0.030 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364488 1282492340 /nfs/dbraw/zinc/49/23/40/1282492340.db2.gz HERPAVOSNWMOIK-NEPJUHHUSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001588368705 1282493308 /nfs/dbraw/zinc/49/33/08/1282493308.db2.gz XFBGLCUTKCDOJS-GFCCVEGCSA-N 0 1 363.385 0.075 20 30 FCEDMN C=C(C)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C(=O)OCC ZINC001588409028 1282501982 /nfs/dbraw/zinc/50/19/82/1282501982.db2.gz ABVGWMLOTUULKZ-JTQLQIEISA-N 0 1 366.403 0.438 20 30 FCEDMN C=C(C)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588415055 1282504858 /nfs/dbraw/zinc/50/48/58/1282504858.db2.gz BEAVRCPYKMHKNR-VXGBXAGGSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C1CCC(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001588462177 1282511117 /nfs/dbraw/zinc/51/11/17/1282511117.db2.gz GYWIRCJJQIJONX-JOCQHMNTSA-N 0 1 354.418 0.884 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468910 1282513473 /nfs/dbraw/zinc/51/34/73/1282513473.db2.gz RDXIKTCNJLNDNP-GFCCVEGCSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468523 1282514265 /nfs/dbraw/zinc/51/42/65/1282514265.db2.gz LUSOTROOKXYBHG-NEPJUHHUSA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588496580 1282526953 /nfs/dbraw/zinc/52/69/53/1282526953.db2.gz SQMYIFAWYRJPOS-PXAZEXFGSA-N 0 1 374.449 0.826 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588501929 1282538035 /nfs/dbraw/zinc/53/80/35/1282538035.db2.gz PMZADIMTGJIROG-PXAZEXFGSA-N 0 1 372.433 0.199 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588503202 1282539345 /nfs/dbraw/zinc/53/93/45/1282539345.db2.gz XCVYRXPFJCVQFB-QZTJIDSGSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588503793 1282542224 /nfs/dbraw/zinc/54/22/24/1282542224.db2.gz FTIHFWDGSLIWIK-SNUQEOBHSA-N 0 1 371.445 0.626 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588505633 1282547336 /nfs/dbraw/zinc/54/73/36/1282547336.db2.gz SYHBRKFXNBJLJA-JCGVRSQUSA-N 0 1 371.445 0.708 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588505669 1282548123 /nfs/dbraw/zinc/54/81/23/1282548123.db2.gz URGPIELSWWNXDN-JKDFXYPNSA-N 0 1 372.433 0.103 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588508098 1282550438 /nfs/dbraw/zinc/55/04/38/1282550438.db2.gz OJDWVUNHXHXSRP-PZNPJNSTSA-N 0 1 374.470 0.802 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588508098 1282550446 /nfs/dbraw/zinc/55/04/46/1282550446.db2.gz OJDWVUNHXHXSRP-PZNPJNSTSA-N 0 1 374.470 0.802 20 30 FCEDMN C=CC[C@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001588549782 1282566641 /nfs/dbraw/zinc/56/66/41/1282566641.db2.gz XSBOFWCJWYGOIV-LBPRGKRZSA-N 0 1 354.378 0.470 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001588551896 1282567189 /nfs/dbraw/zinc/56/71/89/1282567189.db2.gz KOWDLFJDQCLZNR-ZDUSSCGKSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCCCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588586039 1282574536 /nfs/dbraw/zinc/57/45/36/1282574536.db2.gz CBSTWHPXDDMILP-QGZVFWFLSA-N 0 1 372.433 0.461 20 30 FCEDMN C=CCCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001588608749 1282584377 /nfs/dbraw/zinc/58/43/77/1282584377.db2.gz DDESYZIZBQOUNL-QGZVFWFLSA-N 0 1 357.418 0.688 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608929 1282585767 /nfs/dbraw/zinc/58/57/67/1282585767.db2.gz SCYIWRVROZTIGK-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588617716 1282597704 /nfs/dbraw/zinc/59/77/04/1282597704.db2.gz YHRBUGDSAXCTID-UHFFFAOYSA-N 0 1 358.406 0.288 20 30 FCEDMN C=CCNC(=O)NC(=O)[C@H](C)N(C)CCc1cccc(-c2nn[nH]n2)c1 ZINC001588658257 1282607511 /nfs/dbraw/zinc/60/75/11/1282607511.db2.gz DWFRIUHOVCGQGJ-LBPRGKRZSA-N 0 1 357.418 0.741 20 30 FCEDMN C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC001588658608 1282614222 /nfs/dbraw/zinc/61/42/22/1282614222.db2.gz BYYDSCIPQRMKTI-YPMHNXCESA-N 0 1 372.433 0.080 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1ccncc1-c1nn[nH]n1 ZINC001588718256 1282665303 /nfs/dbraw/zinc/66/53/03/1282665303.db2.gz DXELSSLWLGXORG-DOMZBBRYSA-N 0 1 357.418 0.535 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588723057 1282672953 /nfs/dbraw/zinc/67/29/53/1282672953.db2.gz GKHARWNCAQAFKM-CULRUXPZSA-N 0 1 369.429 0.581 20 30 FCEDMN CC#CCCCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588738842 1282677364 /nfs/dbraw/zinc/67/73/64/1282677364.db2.gz SPEAKEWDWDHKPU-CQSZACIVSA-N 0 1 371.445 0.711 20 30 FCEDMN CC#CCCCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588737570 1282677953 /nfs/dbraw/zinc/67/79/53/1282677953.db2.gz GPKCVNCGLOXGPI-CYBMUJFWSA-N 0 1 354.418 0.887 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588738153 1282680713 /nfs/dbraw/zinc/68/07/13/1282680713.db2.gz SIPJZUPCIVQKMU-OLZOCXBDSA-N 0 1 354.418 0.531 20 30 FCEDMN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588740839 1282682578 /nfs/dbraw/zinc/68/25/78/1282682578.db2.gz YDGBWSKUHILULS-OLZOCXBDSA-N 0 1 356.434 0.967 20 30 FCEDMN C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588935968 1282733660 /nfs/dbraw/zinc/73/36/60/1282733660.db2.gz BVGTZLJRXOUWRW-GXSJLCMTSA-N 0 1 351.330 0.367 20 30 FCEDMN C[C@H](C(=O)N(CCC#N)Cc1cccnc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588943376 1282738624 /nfs/dbraw/zinc/73/86/24/1282738624.db2.gz LQVRQAABWZTQOO-LLVKDONJSA-N 0 1 352.362 0.357 20 30 FCEDMN CC(C)(C#N)c1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001589035969 1282784492 /nfs/dbraw/zinc/78/44/92/1282784492.db2.gz FRPUNZFGDUOTNU-UHFFFAOYSA-N 0 1 351.374 0.689 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001589380447 1282857774 /nfs/dbraw/zinc/85/77/74/1282857774.db2.gz XTMDLXCSICYQCY-HNNXBMFYSA-N 0 1 374.420 0.574 20 30 FCEDMN CCOc1ccc(C#N)cc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001609245209 1289017199 /nfs/dbraw/zinc/01/71/99/1289017199.db2.gz YSUVPEGWCIZXSA-UHFFFAOYSA-N 0 1 368.361 0.550 20 30 FCEDMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CSCC#N ZINC001589556819 1282908070 /nfs/dbraw/zinc/90/80/70/1282908070.db2.gz ZSWZBNNCEHMPDG-GFCCVEGCSA-N 0 1 374.474 0.883 20 30 FCEDMN C[C@H](C[C@H](C)Nc1ccncc1-c1nn[nH]n1)NC(=O)CSCC#N ZINC001589800242 1283013585 /nfs/dbraw/zinc/01/35/85/1283013585.db2.gz WHWOMFMMNRYBBR-WDEREUQCSA-N 0 1 360.447 0.636 20 30 FCEDMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N ZINC001590256023 1283380323 /nfs/dbraw/zinc/38/03/23/1283380323.db2.gz ZDNNJKFVJXNZLK-YPMHNXCESA-N 0 1 358.406 0.646 20 30 FCEDMN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590264751 1283387381 /nfs/dbraw/zinc/38/73/81/1283387381.db2.gz BHKIHGJUKBPWED-OCCSQVGLSA-N 0 1 366.429 0.389 20 30 FCEDMN CCOc1ccc(N(CCC#N)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001590837928 1283912931 /nfs/dbraw/zinc/91/29/31/1283912931.db2.gz ZFMTVGWLPSGVOT-UHFFFAOYSA-N 0 1 367.373 0.804 20 30 FCEDMN CN(CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C#CC1CC1 ZINC001591043609 1284102474 /nfs/dbraw/zinc/10/24/74/1284102474.db2.gz YGHGNVIODDRNDC-UHFFFAOYSA-N 0 1 354.418 0.389 20 30 FCEDMN CN(Cc1ccc(C#N)cc1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591140156 1284210514 /nfs/dbraw/zinc/21/05/14/1284210514.db2.gz DPQHBDUCVQZALH-UHFFFAOYSA-N 0 1 352.362 0.171 20 30 FCEDMN COC(=O)C1(NC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)CCCCC1 ZINC001591244727 1284395644 /nfs/dbraw/zinc/39/56/44/1284395644.db2.gz DOCZEZJUWSPQEP-UHFFFAOYSA-N 0 1 372.389 0.235 20 30 FCEDMN COC(=O)c1ccc([N+](=O)[O-])c(Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001591299144 1284452842 /nfs/dbraw/zinc/45/28/42/1284452842.db2.gz OYJNUOZXKJYRTL-UHFFFAOYSA-N 0 1 368.313 0.986 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001591362986 1284499608 /nfs/dbraw/zinc/49/96/08/1284499608.db2.gz YOTOQNYLPVPWET-OLZOCXBDSA-N 0 1 357.418 0.427 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CNC/C=C\CNC(=O)[C@@H](C)C#N ZINC001591562405 1284735199 /nfs/dbraw/zinc/73/51/99/1284735199.db2.gz IOCXYKGPMQAGQA-MVZIDQBPSA-N 0 1 355.402 0.797 20 30 FCEDMN Cc1cc(N2CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002022 1285052233 /nfs/dbraw/zinc/05/22/33/1285052233.db2.gz UCNLAMBGZPPKTD-GDBMZVCRSA-N 0 1 369.429 0.285 20 30 FCEDMN Cc1cc(NC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592042957 1285084450 /nfs/dbraw/zinc/08/44/50/1285084450.db2.gz SCYXYEBBCJIEHM-GTNSWQLSSA-N 0 1 354.418 0.802 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC001592335220 1285245983 /nfs/dbraw/zinc/24/59/83/1285245983.db2.gz OTKFHNLYMSINGJ-ONGXEEELSA-N 0 1 371.405 0.648 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001604832236 1287793620 /nfs/dbraw/zinc/79/36/20/1287793620.db2.gz ZNXDFSMWYFRYMF-NSHDSACASA-N 0 1 364.373 0.207 20 30 FCEDMN N#CC1(C[C@@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC1 ZINC001592669629 1285564444 /nfs/dbraw/zinc/56/44/44/1285564444.db2.gz YRAHDYGAASJQGE-CQSZACIVSA-N 0 1 354.418 0.438 20 30 FCEDMN N#CCSCC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001592679088 1285573663 /nfs/dbraw/zinc/57/36/63/1285573663.db2.gz FOLYSBGDUVOABJ-UHFFFAOYSA-N 0 1 373.446 0.389 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC001592684188 1285584500 /nfs/dbraw/zinc/58/45/00/1285584500.db2.gz RUVGJAWKKJNJGM-UHFFFAOYSA-N 0 1 374.368 0.437 20 30 FCEDMN N#Cc1ccc(CNC(=O)COc2ccc(F)nc2-c2nn[nH]n2)cc1 ZINC001592693274 1285585510 /nfs/dbraw/zinc/58/55/10/1285585510.db2.gz QIQMNWCYPDOLCL-UHFFFAOYSA-N 0 1 353.317 0.968 20 30 FCEDMN N#Cc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[nH]n3)o2)c1 ZINC001592701772 1285590383 /nfs/dbraw/zinc/59/03/83/1285590383.db2.gz JLHQJMBPBARVPE-UHFFFAOYSA-N 0 1 352.310 0.805 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cnc1-c1nnn[n-]1 ZINC001592708082 1285592567 /nfs/dbraw/zinc/59/25/67/1285592567.db2.gz SZNUWHSEPVBPAK-GFCCVEGCSA-N 0 1 355.406 0.584 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001592708082 1285592579 /nfs/dbraw/zinc/59/25/79/1285592579.db2.gz SZNUWHSEPVBPAK-GFCCVEGCSA-N 0 1 355.406 0.584 20 30 FCEDMN O=C(C#CC1CC1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592766888 1285688818 /nfs/dbraw/zinc/68/88/18/1285688818.db2.gz VFVXJMIMYNPRHC-AWEZNQCLSA-N 0 1 366.429 0.675 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001592766924 1285689294 /nfs/dbraw/zinc/68/92/94/1285689294.db2.gz WDLRABOIJCSWDQ-GOSISDBHSA-N 0 1 364.413 0.499 20 30 FCEDMN CN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](O)C1 ZINC001735927877 1289043184 /nfs/dbraw/zinc/04/31/84/1289043184.db2.gz IAXWBUAWOOTYTD-KURKYZTESA-N 0 1 355.438 0.210 20 30 FCEDMN O=C1c2ccccc2C(=O)N1CC#CCn1cccc(-c2nn[nH]n2)c1=O ZINC001593413250 1286135893 /nfs/dbraw/zinc/13/58/93/1286135893.db2.gz NJQJTHPWDMHOML-UHFFFAOYSA-N 0 1 360.333 0.328 20 30 FCEDMN N#CC1(NC(=O)C[NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)CCCCC1 ZINC001601057407 1286622643 /nfs/dbraw/zinc/62/26/43/1286622643.db2.gz XUMRIFQLGOKOMU-UHFFFAOYSA-N 0 1 360.418 0.956 20 30 FCEDMN N#CC[C@@H](NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)C(F)(F)F ZINC001601062089 1286625277 /nfs/dbraw/zinc/62/52/77/1286625277.db2.gz MGAWWLOGAPCYMF-MFKMUULPSA-N 0 1 364.324 0.402 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001601110977 1286636701 /nfs/dbraw/zinc/63/67/01/1286636701.db2.gz QAQLPMXKJANOKV-WMLDXEAASA-N 0 1 364.423 0.755 20 30 FCEDMN N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001601122095 1286640176 /nfs/dbraw/zinc/64/01/76/1286640176.db2.gz CLPXZSHHQGSGLJ-CQSZACIVSA-N 0 1 354.370 0.411 20 30 FCEDMN N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001601122095 1286640188 /nfs/dbraw/zinc/64/01/88/1286640188.db2.gz CLPXZSHHQGSGLJ-CQSZACIVSA-N 0 1 354.370 0.411 20 30 FCEDMN N#Cc1cccc(NC(=O)CC[N@H+](CCN2CCOCC2)CC(=O)[O-])c1 ZINC001601122729 1286641756 /nfs/dbraw/zinc/64/17/56/1286641756.db2.gz SIMCNFBJMAREFZ-UHFFFAOYSA-N 0 1 360.414 0.606 20 30 FCEDMN CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]2C1 ZINC001707215511 1287047416 /nfs/dbraw/zinc/04/74/16/1287047416.db2.gz GHLIZGUFVKGCIS-CVEARBPZSA-N 0 1 364.490 0.690 20 30 FCEDMN C#CCCCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602703307 1287067024 /nfs/dbraw/zinc/06/70/24/1287067024.db2.gz NOWXHZHSBUNECA-CYBMUJFWSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602716758 1287073448 /nfs/dbraw/zinc/07/34/48/1287073448.db2.gz OUIZLMJVJPUOHJ-UHFFFAOYSA-N 0 1 359.365 0.016 20 30 FCEDMN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602716758 1287073460 /nfs/dbraw/zinc/07/34/60/1287073460.db2.gz OUIZLMJVJPUOHJ-UHFFFAOYSA-N 0 1 359.365 0.016 20 30 FCEDMN C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001602724561 1287081387 /nfs/dbraw/zinc/08/13/87/1287081387.db2.gz BPWDNODKDPQYCI-UHFFFAOYSA-N 0 1 374.397 0.863 20 30 FCEDMN C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001602724561 1287081397 /nfs/dbraw/zinc/08/13/97/1287081397.db2.gz BPWDNODKDPQYCI-UHFFFAOYSA-N 0 1 374.397 0.863 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602725415 1287082573 /nfs/dbraw/zinc/08/25/73/1287082573.db2.gz KDPFSRHRIWMELJ-UONOGXRCSA-N 0 1 369.429 0.433 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602726086 1287086866 /nfs/dbraw/zinc/08/68/66/1287086866.db2.gz OVWPWUXJRTVOPO-FZKQIMNGSA-N 0 1 369.429 0.693 20 30 FCEDMN CS(=O)(=O)c1cccc(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c1 ZINC001609368005 1289124671 /nfs/dbraw/zinc/12/46/71/1289124671.db2.gz JDUVFYZYISNWKH-UHFFFAOYSA-N 0 1 357.355 0.221 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602726973 1287092705 /nfs/dbraw/zinc/09/27/05/1287092705.db2.gz UWQUOFZHVRSOSW-KGLIPLIRSA-N 0 1 369.429 0.633 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602727451 1287093538 /nfs/dbraw/zinc/09/35/38/1287093538.db2.gz XZJUQXYBPVCOND-TZMCWYRMSA-N 0 1 371.445 0.727 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602727450 1287095116 /nfs/dbraw/zinc/09/51/16/1287095116.db2.gz XZJUQXYBPVCOND-OCCSQVGLSA-N 0 1 371.445 0.727 20 30 FCEDMN C#Cc1cccc(NC(=O)NC(=O)CN2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001602743525 1287103735 /nfs/dbraw/zinc/10/37/35/1287103735.db2.gz QKGVMAULHJWCGV-CQSZACIVSA-N 0 1 358.398 0.264 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602784717 1287114635 /nfs/dbraw/zinc/11/46/35/1287114635.db2.gz WMFWBGRHVKPCAP-NSHDSACASA-N 0 1 358.406 0.190 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001602792866 1287116355 /nfs/dbraw/zinc/11/63/55/1287116355.db2.gz ILDFUEUVWIOIJM-UGSOOPFHSA-N 0 1 373.461 0.954 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602792464 1287116382 /nfs/dbraw/zinc/11/63/82/1287116382.db2.gz GFAIBIUUKMQFAA-QGZVFWFLSA-N 0 1 359.434 0.840 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602790973 1287116980 /nfs/dbraw/zinc/11/69/80/1287116980.db2.gz WWHJYCYHSZFRBV-PXAZEXFGSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602793330 1287118555 /nfs/dbraw/zinc/11/85/55/1287118555.db2.gz MAPKWBFGKNRRAP-QGZVFWFLSA-N 0 1 371.445 0.852 20 30 FCEDMN C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001602809648 1287121924 /nfs/dbraw/zinc/12/19/24/1287121924.db2.gz VOWPGVDRMGJXOX-PJXYFTJBSA-N 0 1 354.418 0.810 20 30 FCEDMN C=CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602823292 1287124142 /nfs/dbraw/zinc/12/41/42/1287124142.db2.gz ARMLIVQVUVJZRR-RYUDHWBXSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001602817721 1287124767 /nfs/dbraw/zinc/12/47/67/1287124767.db2.gz NEFFRTVETCPIIT-GFCCVEGCSA-N 0 1 372.433 0.104 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001602840632 1287130778 /nfs/dbraw/zinc/13/07/78/1287130778.db2.gz ATKSBBAIJDSANN-GFCCVEGCSA-N 0 1 372.433 0.511 20 30 FCEDMN C=CCOCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001602866973 1287140313 /nfs/dbraw/zinc/14/03/13/1287140313.db2.gz QXGHSIYWEDKJSR-QWHCGFSZSA-N 0 1 357.418 0.596 20 30 FCEDMN C=CCOCCCC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602870086 1287143363 /nfs/dbraw/zinc/14/33/63/1287143363.db2.gz IABQVEMNXKMETD-CYBMUJFWSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001602870233 1287144562 /nfs/dbraw/zinc/14/45/62/1287144562.db2.gz JCSVXOLIBOAGMI-UTUOFQBUSA-N 0 1 356.390 0.085 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602892187 1287148940 /nfs/dbraw/zinc/14/89/40/1287148940.db2.gz PGCIPJIUNKSDDO-UONOGXRCSA-N 0 1 368.445 0.779 20 30 FCEDMN C[C@H](C#N)C(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001602984349 1287173764 /nfs/dbraw/zinc/17/37/64/1287173764.db2.gz XFTGLYKEYAGVKC-CYBMUJFWSA-N 0 1 369.433 0.050 20 30 FCEDMN COCCN(CC(=O)OC(C)(C)C)c1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001605094905 1287878795 /nfs/dbraw/zinc/87/87/95/1287878795.db2.gz LAFIVASCBITUQR-UHFFFAOYSA-N 0 1 360.378 0.323 20 30 FCEDMN COCCOC1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCOCC1 ZINC001605110890 1287885813 /nfs/dbraw/zinc/88/58/13/1287885813.db2.gz UCBUJHCDWDTMAW-UHFFFAOYSA-N 0 1 360.378 0.152 20 30 FCEDMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001605420556 1287953470 /nfs/dbraw/zinc/95/34/70/1287953470.db2.gz CBDOCMBRLVMUFO-BXKDBHETSA-N 0 1 364.373 0.111 20 30 FCEDMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC#Cc1ccccc1 ZINC001605436101 1287963602 /nfs/dbraw/zinc/96/36/02/1287963602.db2.gz OFPVALJHRJCWJL-CYBMUJFWSA-N 0 1 362.397 0.437 20 30 FCEDMN CN(C)S(=O)(=O)N1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001606039479 1288143171 /nfs/dbraw/zinc/14/31/71/1288143171.db2.gz UZOGRXJLSRUIJR-HNNXBMFYSA-N 0 1 366.443 0.498 20 30 FCEDMN N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2CCC1CC2 ZINC001606337094 1288263640 /nfs/dbraw/zinc/26/36/40/1288263640.db2.gz QKKLXZMHTYUMDR-OAHLLOKOSA-N 0 1 351.414 0.856 20 30 FCEDMN N#Cc1cnnc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC001606389214 1288283505 /nfs/dbraw/zinc/28/35/05/1288283505.db2.gz MPQZCTFBPOHATC-UHFFFAOYSA-N 0 1 364.373 0.720 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001606457063 1288328207 /nfs/dbraw/zinc/32/82/07/1288328207.db2.gz HFVVDSXARAKFOD-ZDUSSCGKSA-N 0 1 352.402 0.403 20 30 FCEDMN CO[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(C(=O)[O-])C1 ZINC001606768707 1288502563 /nfs/dbraw/zinc/50/25/63/1288502563.db2.gz CITAMBPIJFVCEO-BBRMVZONSA-N 0 1 352.412 0.896 20 30 FCEDMN CO[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(C(=O)[O-])C1 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C[C@H](OCc1c[nH]nn1)C(=O)N[C@@](C)(CNc1ccncc1C#N)C1CC1 ZINC001575838797 1272509762 /nfs/dbraw/zinc/50/97/62/1272509762.db2.gz GIBJETTTWIBJPK-SGTLLEGYSA-N 0 1 369.429 0.795 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001575845853 1272520079 /nfs/dbraw/zinc/52/00/79/1272520079.db2.gz GDULVNPWOGFDHW-LLVKDONJSA-N 0 1 356.390 0.157 20 30 FCEDMN CC(C)[C@H](CNC(=O)[C@@H](C)OCc1c[nH]nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001575851739 1272525036 /nfs/dbraw/zinc/52/50/36/1272525036.db2.gz DRCBYSNMAHOJMB-ABAIWWIYSA-N 0 1 373.417 0.480 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001575868488 1272537659 /nfs/dbraw/zinc/53/76/59/1272537659.db2.gz NXPSXZRSXDODSY-STQMWFEESA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001575868972 1272537903 /nfs/dbraw/zinc/53/79/03/1272537903.db2.gz RHIXERZAUUARAB-STQMWFEESA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 ZINC001575874479 1272540613 /nfs/dbraw/zinc/54/06/13/1272540613.db2.gz AMIOTVOMOPWASK-LLVKDONJSA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001575874512 1272540787 /nfs/dbraw/zinc/54/07/87/1272540787.db2.gz AGZKQCFCRLMOGX-JRPNMDOOSA-N 0 1 371.401 0.186 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575878501 1272543545 /nfs/dbraw/zinc/54/35/45/1272543545.db2.gz UOUWCBFKZDCYPK-DGCLKSJQSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575878502 1272543945 /nfs/dbraw/zinc/54/39/45/1272543945.db2.gz UOUWCBFKZDCYPK-WCQYABFASA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001575880065 1272545522 /nfs/dbraw/zinc/54/55/22/1272545522.db2.gz RMYGGABHWOLLTA-AEGPPILISA-N 0 1 359.430 0.524 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001575888750 1272548232 /nfs/dbraw/zinc/54/82/32/1272548232.db2.gz NAGHRKHQCPVGRR-AAEUAGOBSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001575890672 1272549534 /nfs/dbraw/zinc/54/95/34/1272549534.db2.gz YAMXJXOKQKFFJF-JTNHKYCSSA-N 0 1 356.390 0.013 20 30 FCEDMN C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576043551 1272766144 /nfs/dbraw/zinc/76/61/44/1272766144.db2.gz ACHUTAUAVHUTKX-DGCLKSJQSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCOCc1c[nH]nn1 ZINC001576043550 1272766824 /nfs/dbraw/zinc/76/68/24/1272766824.db2.gz ACHUTAUAVHUTKX-AAEUAGOBSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@H]1C[C@H](NC(=O)CSCC#N)CN1C(=O)CCCCc1cn[nH]n1 ZINC001576048896 1272778271 /nfs/dbraw/zinc/77/82/71/1272778271.db2.gz YPDQEXVESOJRIU-JSGCOSHPSA-N 0 1 364.475 0.880 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127564 1272924355 /nfs/dbraw/zinc/92/43/55/1272924355.db2.gz XUNLNCBUTVGASA-LRDDRELGSA-N 0 1 369.429 0.994 20 30 FCEDMN C[C@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001576127564 1272924362 /nfs/dbraw/zinc/92/43/62/1272924362.db2.gz XUNLNCBUTVGASA-LRDDRELGSA-N 0 1 369.429 0.994 20 30 FCEDMN CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576474417 1273309992 /nfs/dbraw/zinc/30/99/92/1273309992.db2.gz GNHUTCYBRLSMMW-UKRRQHHQSA-N 0 1 362.434 0.711 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576739488 1273608497 /nfs/dbraw/zinc/60/84/97/1273608497.db2.gz XFFPIALHFDMLRT-AWEZNQCLSA-N 0 1 371.401 0.284 20 30 FCEDMN CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576868043 1273840842 /nfs/dbraw/zinc/84/08/42/1273840842.db2.gz RAHOOHGQGFWHAZ-LBPRGKRZSA-N 0 1 365.401 0.812 20 30 FCEDMN CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576868042 1273842377 /nfs/dbraw/zinc/84/23/77/1273842377.db2.gz RAHOOHGQGFWHAZ-GFCCVEGCSA-N 0 1 365.401 0.812 20 30 FCEDMN CC[C@H](NC(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccc1OCC(=O)NC ZINC001577160352 1274207295 /nfs/dbraw/zinc/20/72/95/1274207295.db2.gz ZUFOEKZFBTZBIP-AEGPPILISA-N 0 1 359.430 0.673 20 30 FCEDMN CC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@H](CC)CN1C(C)=O ZINC001577176663 1274226060 /nfs/dbraw/zinc/22/60/60/1274226060.db2.gz GRCYVWYRYSQQCE-VXGBXAGGSA-N 0 1 355.406 0.754 20 30 FCEDMN Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H](C)OCc3c[nH]nn3)C2)n1 ZINC001577256440 1274285218 /nfs/dbraw/zinc/28/52/18/1274285218.db2.gz QDASWCVKEOHBOV-NEPJUHHUSA-N 0 1 356.390 0.075 20 30 FCEDMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)CCCc2c[nH]nn2)c(C#N)cn1 ZINC001577339280 1274350407 /nfs/dbraw/zinc/35/04/07/1274350407.db2.gz QXIPSLUZBSOHCW-MRXNPFEDSA-N 0 1 371.445 0.658 20 30 FCEDMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)CCCc2cnn[nH]2)c(C#N)cn1 ZINC001577339280 1274350415 /nfs/dbraw/zinc/35/04/15/1274350415.db2.gz QXIPSLUZBSOHCW-MRXNPFEDSA-N 0 1 371.445 0.658 20 30 FCEDMN Cn1ccc(CN2CCC(N(Cc3c[nH]nn3)C(=O)C#CC3CC3)CC2)n1 ZINC001577666396 1274685050 /nfs/dbraw/zinc/68/50/50/1274685050.db2.gz XQGIXOHZYRGBLC-UHFFFAOYSA-N 0 1 367.457 0.945 20 30 FCEDMN N#CCNC(=O)CN(CCNC(=O)c1ccc(-c2cn[nH]n2)cc1)C1CC1 ZINC001577706645 1274767014 /nfs/dbraw/zinc/76/70/14/1274767014.db2.gz NRPKLFGNBGYCBO-UHFFFAOYSA-N 0 1 367.413 0.306 20 30 FCEDMN N#CCN1CCO[C@@]2(CCN(C(=O)Cc3ccccc3-c3cn[nH]n3)C2)C1 ZINC001577706387 1274767861 /nfs/dbraw/zinc/76/78/61/1274767861.db2.gz FPXNAUHZWFHUSY-IBGZPJMESA-N 0 1 366.425 0.841 20 30 FCEDMN N#Cc1cc(C(=O)NC2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C2)c[nH]1 ZINC001577712277 1274771626 /nfs/dbraw/zinc/77/16/26/1274771626.db2.gz HMDOWUQYOUVSFI-UHFFFAOYSA-N 0 1 353.386 0.358 20 30 FCEDMN N#Cc1cc(C(=O)NC2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C2)c[nH]1 ZINC001577712277 1274771639 /nfs/dbraw/zinc/77/16/39/1274771639.db2.gz HMDOWUQYOUVSFI-UHFFFAOYSA-N 0 1 353.386 0.358 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)CCCc4c[nH]nn4)C[C@H]32)c1 ZINC001577712223 1274771813 /nfs/dbraw/zinc/77/18/13/1274771813.db2.gz FJIRZXWCUGATJT-XJKSGUPXSA-N 0 1 367.413 0.700 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)CCCc4cnn[nH]4)C[C@H]32)c1 ZINC001577712223 1274771824 /nfs/dbraw/zinc/77/18/24/1274771824.db2.gz FJIRZXWCUGATJT-XJKSGUPXSA-N 0 1 367.413 0.700 20 30 FCEDMN N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCOCc2c[nH]nn2)nn1 ZINC001577715040 1274775068 /nfs/dbraw/zinc/77/50/68/1274775068.db2.gz HOTVBPXWRMZYGQ-GASCZTMLSA-N 0 1 368.401 0.253 20 30 FCEDMN N#Cc1ccc(NC[C@H](NC(=O)CCOCc2c[nH]nn2)C2CC2)cn1 ZINC001577714936 1274775537 /nfs/dbraw/zinc/77/55/37/1274775537.db2.gz CLHQCZHXZFCRFC-INIZCTEOSA-N 0 1 355.402 0.985 20 30 FCEDMN N#Cc1ccc(CN2CC(O)(CNC(=O)CCCc3c[nH]nn3)C2)cc1 ZINC001577715656 1274776954 /nfs/dbraw/zinc/77/69/54/1274776954.db2.gz SSRPBAMROXHXRV-UHFFFAOYSA-N 0 1 354.414 0.362 20 30 FCEDMN N#Cc1ccc(CN2CC(O)(CNC(=O)CCCc3cnn[nH]3)C2)cc1 ZINC001577715656 1274776963 /nfs/dbraw/zinc/77/69/63/1274776963.db2.gz SSRPBAMROXHXRV-UHFFFAOYSA-N 0 1 354.414 0.362 20 30 FCEDMN N#Cc1ccc(N2CCCC[C@H]2CNC(=O)CCCc2c[nH]nn2)nn1 ZINC001577715849 1274777044 /nfs/dbraw/zinc/77/70/44/1274777044.db2.gz WQNDNFZQGSAWAS-HNNXBMFYSA-N 0 1 354.418 0.964 20 30 FCEDMN N#Cc1ccc(N2CCCC[C@H]2CNC(=O)CCCc2cnn[nH]2)nn1 ZINC001577715849 1274777050 /nfs/dbraw/zinc/77/70/50/1274777050.db2.gz WQNDNFZQGSAWAS-HNNXBMFYSA-N 0 1 354.418 0.964 20 30 FCEDMN N#Cc1ccc(NC[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)nn1 ZINC001577715890 1274777618 /nfs/dbraw/zinc/77/76/18/1274777618.db2.gz YBWDSFVQRLTHIG-GFCCVEGCSA-N 0 1 356.390 0.334 20 30 FCEDMN N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1c[nH]nn1)C2 ZINC001577719000 1274781868 /nfs/dbraw/zinc/78/18/68/1274781868.db2.gz DXEXQMJGJZQRFM-NFAWXSAZSA-N 0 1 352.402 0.715 20 30 FCEDMN N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1cnn[nH]1)C2 ZINC001577719000 1274781876 /nfs/dbraw/zinc/78/18/76/1274781876.db2.gz DXEXQMJGJZQRFM-NFAWXSAZSA-N 0 1 352.402 0.715 20 30 FCEDMN N#Cc1cncc(N2CCCC[C@@H]2CNC(=O)CCOCc2c[nH]nn2)n1 ZINC001577719750 1274784147 /nfs/dbraw/zinc/78/41/47/1274784147.db2.gz YWFYCGUHRGMVSH-OAHLLOKOSA-N 0 1 370.417 0.548 20 30 FCEDMN N#Cc1cncc(N2CCCC[C@H]2CNC(=O)CCOCc2c[nH]nn2)n1 ZINC001577719749 1274784752 /nfs/dbraw/zinc/78/47/52/1274784752.db2.gz YWFYCGUHRGMVSH-HNNXBMFYSA-N 0 1 370.417 0.548 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H](NC(=O)C1(Cc2c[nH]nn2)CCC1)C1CC1 ZINC001577745401 1274823050 /nfs/dbraw/zinc/82/30/50/1274823050.db2.gz FSYNNTQPPYBEIV-INIZCTEOSA-N 0 1 355.442 0.942 20 30 FCEDMN O=C(C#CC1CC1)NC[C@H](NC(=O)C1(Cc2cnn[nH]2)CCC1)C1CC1 ZINC001577745401 1274823060 /nfs/dbraw/zinc/82/30/60/1274823060.db2.gz FSYNNTQPPYBEIV-INIZCTEOSA-N 0 1 355.442 0.942 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H](NC(=O)CCCCCc2cn[nH]n2)[C@H](O)C1 ZINC001577800517 1274904689 /nfs/dbraw/zinc/90/46/89/1274904689.db2.gz QBVVJXJVZSYPFQ-IAGOWNOFSA-N 0 1 373.457 0.399 20 30 FCEDMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001577884468 1275087679 /nfs/dbraw/zinc/08/76/79/1275087679.db2.gz DFPMWTIACLTHMR-HNNXBMFYSA-N 0 1 359.430 0.480 20 30 FCEDMN CC[NH+](CC)CCO[C@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001577903358 1275111340 /nfs/dbraw/zinc/11/13/40/1275111340.db2.gz YLUBIBXOEYZVOH-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN CC[NH+](CC)CCO[C@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001577903358 1275111345 /nfs/dbraw/zinc/11/13/45/1275111345.db2.gz YLUBIBXOEYZVOH-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN CCOC(=O)[C@]1(COC)CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001578243953 1275547007 /nfs/dbraw/zinc/54/70/07/1275547007.db2.gz FRBGWNRIHJCEOQ-MRXNPFEDSA-N 0 1 372.389 0.324 20 30 FCEDMN CN(C[C@@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001579064275 1276673410 /nfs/dbraw/zinc/67/34/10/1276673410.db2.gz YOHFOBDZNHXVAQ-GFCCVEGCSA-N 0 1 374.382 0.685 20 30 FCEDMN COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC001579073680 1276686927 /nfs/dbraw/zinc/68/69/27/1276686927.db2.gz RITNLULSLDAUBV-ZDVXSHRPSA-N 0 1 350.444 0.815 20 30 FCEDMN C[N@@H+](CCOCCNC(=O)C#CC1CC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579228034 1277037718 /nfs/dbraw/zinc/03/77/18/1277037718.db2.gz WBMSVGGUWRCOBO-UHFFFAOYSA-N 0 1 374.470 0.906 20 30 FCEDMN C[N@H+](CCOCCNC(=O)C#CC1CC1)Cc1ccc(-c2nnn[n-]2)s1 ZINC001579228034 1277037719 /nfs/dbraw/zinc/03/77/19/1277037719.db2.gz WBMSVGGUWRCOBO-UHFFFAOYSA-N 0 1 374.470 0.906 20 30 FCEDMN C[N@@H+](CCOCCNC(=O)C#CC1CC1)Cc1ccc(-c2nnn[n-]2)s1 ZINC001579228034 1277037720 /nfs/dbraw/zinc/03/77/20/1277037720.db2.gz WBMSVGGUWRCOBO-UHFFFAOYSA-N 0 1 374.470 0.906 20 30 FCEDMN CNC(=O)CCOc1ccc(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001579394309 1277277675 /nfs/dbraw/zinc/27/76/75/1277277675.db2.gz RYXLMLHUGQHLEQ-UHFFFAOYSA-N 0 1 365.357 0.787 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001579939267 1277970422 /nfs/dbraw/zinc/97/04/22/1277970422.db2.gz NVIXZQPZKGNSSY-VXGBXAGGSA-N 0 1 357.418 0.971 20 30 FCEDMN COc1cc(OC)cc([C@@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001579937315 1277970473 /nfs/dbraw/zinc/97/04/73/1277970473.db2.gz IMNKKXZVCABHDQ-ZDUSSCGKSA-N 0 1 368.357 0.691 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001579939266 1277970505 /nfs/dbraw/zinc/97/05/05/1277970505.db2.gz NVIXZQPZKGNSSY-RYUDHWBXSA-N 0 1 357.418 0.971 20 30 FCEDMN N#CCOc1cccc(CC(=O)N2CCC[C@H]2C(=O)N2CCNCC2)c1 ZINC001580051967 1277998259 /nfs/dbraw/zinc/99/82/59/1277998259.db2.gz CDCDPBOYSXMRAS-KRWDZBQOSA-N 0 1 356.426 0.554 20 30 FCEDMN Cc1cc(N2CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970512 1279171839 /nfs/dbraw/zinc/17/18/39/1279171839.db2.gz DYFSHZNTVJDARI-DIFFPNOSSA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001580978475 1279179335 /nfs/dbraw/zinc/17/93/35/1279179335.db2.gz YCLRQBJJPDHTCJ-IMJCEVDSSA-N 0 1 352.402 0.956 20 30 FCEDMN Cc1cc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995937 1279206696 /nfs/dbraw/zinc/20/66/96/1279206696.db2.gz RWHBDKGXZFEPLG-JTQLQIEISA-N 0 1 351.374 0.422 20 30 FCEDMN Cc1cc(NCC2(CCNC(=O)[C@@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581019254 1279249557 /nfs/dbraw/zinc/24/95/57/1279249557.db2.gz SNBXYHPWLWDDSP-NSHDSACASA-N 0 1 354.418 0.850 20 30 FCEDMN Cc1cc(NCC2(CCNC(=O)[C@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581019253 1279249887 /nfs/dbraw/zinc/24/98/87/1279249887.db2.gz SNBXYHPWLWDDSP-LLVKDONJSA-N 0 1 354.418 0.850 20 30 FCEDMN Cc1cc(NCC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024490 1279256650 /nfs/dbraw/zinc/25/66/50/1279256650.db2.gz AVVYHLKVZUSQTD-SNVBAGLBSA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581034733 1279271046 /nfs/dbraw/zinc/27/10/46/1279271046.db2.gz JGLSVMBYHVGLSZ-ZLKJLUDKSA-N 0 1 354.418 0.991 20 30 FCEDMN C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001716100369 1287372278 /nfs/dbraw/zinc/37/22/78/1287372278.db2.gz OHJNAULGTALWOC-QJPTWQEYSA-N 0 1 357.252 0.499 20 30 FCEDMN C[C@H](C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)CSCC#N ZINC001603459268 1287378119 /nfs/dbraw/zinc/37/81/19/1287378119.db2.gz TVOLVHCIUXHRQF-VHSXEESVSA-N 0 1 361.435 0.031 20 30 FCEDMN Cc1nc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)sc1C ZINC001581480766 1280020176 /nfs/dbraw/zinc/02/01/76/1280020176.db2.gz GKKRKTPQLNWZRJ-UHFFFAOYSA-N 0 1 368.430 0.928 20 30 FCEDMN N#Cc1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)c[nH]1 ZINC001581865186 1280617636 /nfs/dbraw/zinc/61/76/36/1280617636.db2.gz FDDPMHZUTGKYPJ-UHFFFAOYSA-N 0 1 363.385 0.648 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c[nH]1 ZINC001581865023 1280619301 /nfs/dbraw/zinc/61/93/01/1280619301.db2.gz BCOWDPGCKBRSCT-LLVKDONJSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c[nH]1 ZINC001581865023 1280619305 /nfs/dbraw/zinc/61/93/05/1280619305.db2.gz BCOWDPGCKBRSCT-LLVKDONJSA-N 0 1 372.414 0.008 20 30 FCEDMN N#Cc1cc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(F)cc1F ZINC001581866743 1280620278 /nfs/dbraw/zinc/62/02/78/1280620278.db2.gz SGTXTXXIWOKMCZ-UHFFFAOYSA-N 0 1 360.288 0.430 20 30 FCEDMN N#Cc1ncc(N2CCC[C@H](N3CCCC3=O)CC2)nc1-c1nn[nH]n1 ZINC001581881824 1280641149 /nfs/dbraw/zinc/64/11/49/1280641149.db2.gz BJJAZXHMTPXECD-NSHDSACASA-N 0 1 353.390 0.510 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1nnn[n-]1 ZINC001581882239 1280644888 /nfs/dbraw/zinc/64/48/88/1280644888.db2.gz QKDLNVDIGIBJKS-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882239 1280644920 /nfs/dbraw/zinc/64/49/20/1280644920.db2.gz QKDLNVDIGIBJKS-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1nn[n-]n1 ZINC001581882239 1280644930 /nfs/dbraw/zinc/64/49/30/1280644930.db2.gz QKDLNVDIGIBJKS-SMDDNHRTSA-N 0 1 351.418 0.981 20 30 FCEDMN N#Cc1ncc(NCCCNC(=O)c2ccccc2F)nc1-c1nn[nH]n1 ZINC001581884237 1280650841 /nfs/dbraw/zinc/65/08/41/1280650841.db2.gz QUCXDYUYNWOZBR-UHFFFAOYSA-N 0 1 367.348 0.899 20 30 FCEDMN C[C@H](c1ccccc1)N(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001603734049 1287482171 /nfs/dbraw/zinc/48/21/71/1287482171.db2.gz CGJPWMAGVINJGL-SNVBAGLBSA-N 0 1 351.374 0.737 20 30 FCEDMN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001603913973 1287529673 /nfs/dbraw/zinc/52/96/73/1287529673.db2.gz QWGVFJMLPQBTDT-UKRRQHHQSA-N 0 1 365.441 0.994 20 30 FCEDMN O=C1C=COC2(CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)o3)CC2)C1 ZINC001582755605 1281979842 /nfs/dbraw/zinc/97/98/42/1281979842.db2.gz AFGJXCVSMQCHAZ-UHFFFAOYSA-N 0 1 365.371 0.486 20 30 FCEDMN C[C@@H]1CN(c2ccnc(C#N)n2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603941957 1287541361 /nfs/dbraw/zinc/54/13/61/1287541361.db2.gz XAUIVWRAAAQZFA-LLVKDONJSA-N 0 1 363.389 0.281 20 30 FCEDMN C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CN(C)CCN1C ZINC001586538430 1282302237 /nfs/dbraw/zinc/30/22/37/1282302237.db2.gz HWGAHWXXKFMGOP-SUMWQHHRSA-N 0 1 367.457 0.690 20 30 FCEDMN Cc1cc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)nn1-c1cccc(C#N)c1 ZINC001586805066 1282314238 /nfs/dbraw/zinc/31/42/38/1282314238.db2.gz IWYPPBSQYXGEIN-HNNXBMFYSA-N 0 1 364.369 0.779 20 30 FCEDMN C#C[C@@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCOC1 ZINC001588326530 1282418066 /nfs/dbraw/zinc/41/80/66/1282418066.db2.gz OKUDESHSNOQAOJ-GHMZBOCLSA-N 0 1 368.405 0.343 20 30 FCEDMN C#C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588332175 1282423021 /nfs/dbraw/zinc/42/30/21/1282423021.db2.gz HGJHURWULRDZEE-JTQLQIEISA-N 0 1 362.371 0.951 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588335891 1282429010 /nfs/dbraw/zinc/42/90/10/1282429010.db2.gz BOSKKNRZYZMXJQ-KGLIPLIRSA-N 0 1 368.445 0.779 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338162 1282431236 /nfs/dbraw/zinc/43/12/36/1282431236.db2.gz AFYJKZFBJHZBIM-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588340202 1282434710 /nfs/dbraw/zinc/43/47/10/1282434710.db2.gz IMRUASQSKRXXLE-ZDUSSCGKSA-N 0 1 354.418 0.793 20 30 FCEDMN C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588345059 1282440046 /nfs/dbraw/zinc/44/00/46/1282440046.db2.gz OWUAWYYNYIRFHN-VIKVFOODSA-N 0 1 366.429 0.791 20 30 FCEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 ZINC001588349464 1282444097 /nfs/dbraw/zinc/44/40/97/1282444097.db2.gz FNPGSKVBXQWBAE-UHFFFAOYSA-N 0 1 374.470 0.893 20 30 FCEDMN C#CCN(CC#C)C(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588349864 1282445000 /nfs/dbraw/zinc/44/50/00/1282445000.db2.gz PGBRWQHSCRPULL-UHFFFAOYSA-N 0 1 353.386 0.475 20 30 FCEDMN C#CCN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CCOCC2)C1 ZINC001588351789 1282446578 /nfs/dbraw/zinc/44/65/78/1282446578.db2.gz KGCFJDQOJIMHIX-AWEZNQCLSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588354987 1282450847 /nfs/dbraw/zinc/45/08/47/1282450847.db2.gz CVIZFURGBCATMA-STQMWFEESA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588357318 1282464388 /nfs/dbraw/zinc/46/43/88/1282464388.db2.gz LEBGQAFCLLNOBM-AWEZNQCLSA-N 0 1 371.445 0.941 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588357231 1282464500 /nfs/dbraw/zinc/46/45/00/1282464500.db2.gz JKGAOHXMWCZVEC-UONOGXRCSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCOCCC(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588359395 1282474457 /nfs/dbraw/zinc/47/44/57/1282474457.db2.gz NGBYAGUVPWLOCW-AWEZNQCLSA-N 0 1 369.429 0.517 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588359782 1282477308 /nfs/dbraw/zinc/47/73/08/1282477308.db2.gz YIRKTSJGNNEVSY-CHWSQXEVSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588360991 1282480820 /nfs/dbraw/zinc/48/08/20/1282480820.db2.gz AIZCGJFETAGTMU-GFCCVEGCSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588360991 1282480823 /nfs/dbraw/zinc/48/08/23/1282480823.db2.gz AIZCGJFETAGTMU-GFCCVEGCSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588361442 1282482230 /nfs/dbraw/zinc/48/22/30/1282482230.db2.gz NBRBJSYNGUYONN-UHFFFAOYSA-N 0 1 355.402 0.030 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)cn1 ZINC001588365192 1282491291 /nfs/dbraw/zinc/49/12/91/1282491291.db2.gz UJUXRQPCBZGUKE-GFCCVEGCSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nc1 ZINC001588368725 1282493785 /nfs/dbraw/zinc/49/37/85/1282493785.db2.gz XJQFSEGBSBJLFM-CQSZACIVSA-N 0 1 374.408 0.955 20 30 FCEDMN C#Cc1cncc(C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)c1 ZINC001588379172 1282495176 /nfs/dbraw/zinc/49/51/76/1282495176.db2.gz AIHHKQPQANAHDD-LBPRGKRZSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001588381065 1282498302 /nfs/dbraw/zinc/49/83/02/1282498302.db2.gz SLBYKNOEGSDSOW-LBPRGKRZSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C(C)[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)OCC ZINC001588402242 1282499643 /nfs/dbraw/zinc/49/96/43/1282499643.db2.gz DGONOZRXNXHYFX-GFCCVEGCSA-N 0 1 372.433 0.511 20 30 FCEDMN C=C1CC(C)(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588448981 1282507302 /nfs/dbraw/zinc/50/73/02/1282507302.db2.gz IOXJPLZRVJROLN-LBPRGKRZSA-N 0 1 354.418 0.838 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588493593 1282523618 /nfs/dbraw/zinc/52/36/18/1282523618.db2.gz IGOFRXKKSAWFEY-PXAZEXFGSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588497311 1282525818 /nfs/dbraw/zinc/52/58/18/1282525818.db2.gz ZJFBYMSUKGGTMW-PRXAMGSTSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503491 1282541196 /nfs/dbraw/zinc/54/11/96/1282541196.db2.gz YZYJHJJVZQUEQP-YVEFUNNKSA-N 0 1 359.434 0.838 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588503926 1282542626 /nfs/dbraw/zinc/54/26/26/1282542626.db2.gz HZHTURFYCYEIMQ-CRAIPNDOSA-N 0 1 356.430 0.884 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588503928 1282542902 /nfs/dbraw/zinc/54/29/02/1282542902.db2.gz HZHTURFYCYEIMQ-QAPCUYQASA-N 0 1 356.430 0.884 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588503925 1282544149 /nfs/dbraw/zinc/54/41/49/1282544149.db2.gz HYIWWSZGJWFDAW-MRXNPFEDSA-N 0 1 360.422 0.316 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588509639 1282550777 /nfs/dbraw/zinc/55/07/77/1282550777.db2.gz XUDZSDONPMPLHE-PSTGCABASA-N 0 1 372.433 0.245 20 30 FCEDMN C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588532200 1282562350 /nfs/dbraw/zinc/56/23/50/1282562350.db2.gz OYDSYUUBBYMWEI-LBPRGKRZSA-N 0 1 374.449 0.515 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001588553875 1282567569 /nfs/dbraw/zinc/56/75/69/1282567569.db2.gz VWJLFBJBLAKYKR-ZDUSSCGKSA-N 0 1 371.445 0.709 20 30 FCEDMN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588571958 1282568632 /nfs/dbraw/zinc/56/86/32/1282568632.db2.gz UNWQUKXWCPFFMD-IUODEOHRSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001588608747 1282583489 /nfs/dbraw/zinc/58/34/89/1282583489.db2.gz DDESYZIZBQOUNL-KRWDZBQOSA-N 0 1 357.418 0.688 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588608897 1282583994 /nfs/dbraw/zinc/58/39/94/1282583994.db2.gz RWULIRQEBFYFIX-NEPJUHHUSA-N 0 1 360.422 0.319 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608928 1282585347 /nfs/dbraw/zinc/58/53/47/1282585347.db2.gz SCYIWRVROZTIGK-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588611395 1282591345 /nfs/dbraw/zinc/59/13/45/1282591345.db2.gz SSGKUQDWOOUDAY-KRWDZBQOSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCN(CCc1ccccc1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588632157 1282601246 /nfs/dbraw/zinc/60/12/46/1282601246.db2.gz LHWIOCPBJFKHGA-UHFFFAOYSA-N 0 1 367.417 0.899 20 30 FCEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCN[C@@H](C)C1 ZINC001588635127 1282601708 /nfs/dbraw/zinc/60/17/08/1282601708.db2.gz DNPYDGMSKHVJBP-ZDUSSCGKSA-N 0 1 369.429 0.202 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588666200 1282621315 /nfs/dbraw/zinc/62/13/15/1282621315.db2.gz CAOJNCUZGKUVDX-GFCCVEGCSA-N 0 1 358.406 0.144 20 30 FCEDMN C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588676408 1282635400 /nfs/dbraw/zinc/63/54/00/1282635400.db2.gz TYTXTDCTWFVZLZ-BETUJISGSA-N 0 1 357.418 0.501 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588680795 1282637945 /nfs/dbraw/zinc/63/79/45/1282637945.db2.gz DTFBCJKHSKMBCE-JYAVWHMHSA-N 0 1 360.443 0.677 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001588680795 1282637957 /nfs/dbraw/zinc/63/79/57/1282637957.db2.gz DTFBCJKHSKMBCE-JYAVWHMHSA-N 0 1 360.443 0.677 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCO[C@@H](CC)C1 ZINC001588698818 1282652996 /nfs/dbraw/zinc/65/29/96/1282652996.db2.gz BHMKGTCRLLRXGM-JTQLQIEISA-N 0 1 356.394 0.650 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC(C)(F)CC1 ZINC001588709476 1282655816 /nfs/dbraw/zinc/65/58/16/1282655816.db2.gz SFBBLEBXDDEFEY-UHFFFAOYSA-N 0 1 373.400 0.612 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC(F)CC1 ZINC001588709046 1282656080 /nfs/dbraw/zinc/65/60/80/1282656080.db2.gz NUQZLLWOPHPCPO-UHFFFAOYSA-N 0 1 359.373 0.222 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CCCCOC ZINC001588709480 1282657230 /nfs/dbraw/zinc/65/72/30/1282657230.db2.gz SGXWHJLSMMSWEJ-UHFFFAOYSA-N 0 1 373.425 0.147 20 30 FCEDMN C=CCn1cc(C(=O)NC[C@@H](CC)Nc2ccncc2-c2nn[nH]n2)nn1 ZINC001588713612 1282662348 /nfs/dbraw/zinc/66/23/48/1282662348.db2.gz OGYRKVPEQADWCQ-LLVKDONJSA-N 0 1 368.405 0.082 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1ccncc1-c1nn[nH]n1 ZINC001588723261 1282671616 /nfs/dbraw/zinc/67/16/16/1282671616.db2.gz JNGYPCUVVFUWJM-DOMZBBRYSA-N 0 1 357.418 0.795 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001588728131 1282676469 /nfs/dbraw/zinc/67/64/69/1282676469.db2.gz NCCTXNBXCOGJPW-MNOVXSKESA-N 0 1 357.342 0.767 20 30 FCEDMN CC#CCCCC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588739897 1282678368 /nfs/dbraw/zinc/67/83/68/1282678368.db2.gz AWQNNESWBLOKTP-UHFFFAOYSA-N 0 1 354.418 0.579 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1 ZINC001588781388 1282700485 /nfs/dbraw/zinc/70/04/85/1282700485.db2.gz ZLBWGDBPXXZABI-UHFFFAOYSA-N 0 1 367.329 0.529 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588926636 1282730557 /nfs/dbraw/zinc/73/05/57/1282730557.db2.gz KAPHYCALIVPSIN-RYUDHWBXSA-N 0 1 354.418 0.882 20 30 FCEDMN C[C@@H](C(=O)NCc1cccc(OCC#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001588998781 1282763576 /nfs/dbraw/zinc/76/35/76/1282763576.db2.gz VXSYYDHIPIUTAT-JTQLQIEISA-N 0 1 353.346 0.238 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001589379832 1282853555 /nfs/dbraw/zinc/85/35/55/1282853555.db2.gz CBWBSZMTSHDLBX-LBPRGKRZSA-N 0 1 362.459 0.497 20 30 FCEDMN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001589379832 1282853563 /nfs/dbraw/zinc/85/35/63/1282853563.db2.gz CBWBSZMTSHDLBX-LBPRGKRZSA-N 0 1 362.459 0.497 20 30 FCEDMN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001589379804 1282854767 /nfs/dbraw/zinc/85/47/67/1282854767.db2.gz BHBFIXHIXFPOAN-UHFFFAOYSA-N 0 1 362.459 0.498 20 30 FCEDMN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001589379804 1282854777 /nfs/dbraw/zinc/85/47/77/1282854777.db2.gz BHBFIXHIXFPOAN-UHFFFAOYSA-N 0 1 362.459 0.498 20 30 FCEDMN CC(C)C#CC(=O)N(C)CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001589380355 1282857186 /nfs/dbraw/zinc/85/71/86/1282857186.db2.gz VDACGMOVMVJBCH-UHFFFAOYSA-N 0 1 372.433 0.227 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589385278 1282859711 /nfs/dbraw/zinc/85/97/11/1282859711.db2.gz YPVSWDSIQVSCTH-KGLIPLIRSA-N 0 1 366.429 0.743 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001589386924 1282864941 /nfs/dbraw/zinc/86/49/41/1282864941.db2.gz FPFYCMMNPWQXCN-SJORKVTESA-N 0 1 368.441 0.578 20 30 FCEDMN CC(C)C#CC(=O)NCC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001589389844 1282870714 /nfs/dbraw/zinc/87/07/14/1282870714.db2.gz PHGRJQTUVDFTLX-CYBMUJFWSA-N 0 1 356.434 0.681 20 30 FCEDMN CC(C)(CN1CCOCC1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC001642499303 1283015276 /nfs/dbraw/zinc/01/52/76/1283015276.db2.gz HPKPSSIMJOIXSP-UHFFFAOYSA-N 0 1 362.434 0.415 20 30 FCEDMN CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590100662 1283212122 /nfs/dbraw/zinc/21/21/22/1283212122.db2.gz PQFMCDDHKSQAQX-GFCCVEGCSA-N 0 1 352.402 0.141 20 30 FCEDMN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001590266096 1283391188 /nfs/dbraw/zinc/39/11/88/1283391188.db2.gz KNAJWIINPULLAJ-DZGCQCFKSA-N 0 1 365.441 0.994 20 30 FCEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001682704141 1283758299 /nfs/dbraw/zinc/75/82/99/1283758299.db2.gz GFBYLPCSGPNOQW-LLVKDONJSA-N 0 1 367.417 0.764 20 30 FCEDMN CCOCCCN(C[C@@H](C)C(=O)OC)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001590810244 1283886363 /nfs/dbraw/zinc/88/63/63/1283886363.db2.gz FYXKVZLCAMSKOV-LLVKDONJSA-N 0 1 374.405 0.570 20 30 FCEDMN CCOc1ccccc1NC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001590854351 1283928157 /nfs/dbraw/zinc/92/81/57/1283928157.db2.gz GRZBAHLWOOVKHZ-UHFFFAOYSA-N 0 1 353.346 0.554 20 30 FCEDMN CN(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)CSCC#N ZINC001591101638 1284170632 /nfs/dbraw/zinc/17/06/32/1284170632.db2.gz AMTIQCVXLSMQFQ-UHFFFAOYSA-N 0 1 351.461 0.733 20 30 FCEDMN CN(CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)CSCC#N ZINC001591101638 1284170639 /nfs/dbraw/zinc/17/06/39/1284170639.db2.gz AMTIQCVXLSMQFQ-UHFFFAOYSA-N 0 1 351.461 0.733 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001591158313 1284232513 /nfs/dbraw/zinc/23/25/13/1284232513.db2.gz SDLYJLUODXLHOH-NSHDSACASA-N 0 1 364.373 0.207 20 30 FCEDMN COc1cc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)ccc1C#N ZINC001591538041 1284722914 /nfs/dbraw/zinc/72/29/14/1284722914.db2.gz HJXZKICDUQDCBO-UHFFFAOYSA-N 0 1 371.382 0.620 20 30 FCEDMN COc1cccc(CNC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001591638822 1284777107 /nfs/dbraw/zinc/77/71/07/1284777107.db2.gz LAUPSHOYXXQAIO-UHFFFAOYSA-N 0 1 352.358 0.568 20 30 FCEDMN Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036571 1285082025 /nfs/dbraw/zinc/08/20/25/1285082025.db2.gz ZTXWFLMWNDHMJP-TZMCWYRMSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1cc(NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592045398 1285086675 /nfs/dbraw/zinc/08/66/75/1285086675.db2.gz CRIWIQKCAOEUML-WCQYABFASA-N 0 1 354.418 0.802 20 30 FCEDMN Cc1cc(NC[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051692 1285097684 /nfs/dbraw/zinc/09/76/84/1285097684.db2.gz AFDSSEXLOMHAGE-HDJSIYSDSA-N 0 1 351.414 0.712 20 30 FCEDMN Cc1cc(N[C@H]2C[C@@H](CNC(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055366 1285100371 /nfs/dbraw/zinc/10/03/71/1285100371.db2.gz PMWRKDHIHHZEOE-TXEJJXNPSA-N 0 1 372.458 0.556 20 30 FCEDMN Cc1ccccc1C[C@H](C)NC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001592257373 1285201704 /nfs/dbraw/zinc/20/17/04/1285201704.db2.gz VAUXJDFNVDGFCC-NSHDSACASA-N 0 1 365.401 0.573 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC001592335918 1285243774 /nfs/dbraw/zinc/24/37/74/1285243774.db2.gz NAZKPUBJTORUKY-UHFFFAOYSA-N 0 1 362.375 0.135 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCc1cc(F)cc(F)c1 ZINC001592335616 1285244344 /nfs/dbraw/zinc/24/43/44/1285244344.db2.gz WLIWWNZSJSMBNH-UHFFFAOYSA-N 0 1 358.312 0.838 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CCOC[C@@H]3C#N)CC2)o1 ZINC001592335983 1285245608 /nfs/dbraw/zinc/24/56/08/1285245608.db2.gz PJGRYIBCUGGMLK-LBPRGKRZSA-N 0 1 372.389 0.131 20 30 FCEDMN C[C@@H]1CN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC[N@H+]1CCC(=O)[O-] ZINC001604771609 1287774019 /nfs/dbraw/zinc/77/40/19/1287774019.db2.gz QJKNPUCWIQHVMW-FZKQIMNGSA-N 0 1 356.426 0.752 20 30 FCEDMN C[C@@H]1CN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC[N@H+]1CCC(=O)[O-] ZINC001604771608 1287774246 /nfs/dbraw/zinc/77/42/46/1287774246.db2.gz QJKNPUCWIQHVMW-ACJLOTCBSA-N 0 1 356.426 0.752 20 30 FCEDMN Cc1nn(-c2ccccc2)c(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1C#N ZINC001592427263 1285357324 /nfs/dbraw/zinc/35/73/24/1285357324.db2.gz YTCWFVCGXZMHHS-UHFFFAOYSA-N 0 1 371.368 0.931 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001604788459 1287781773 /nfs/dbraw/zinc/78/17/73/1287781773.db2.gz MWZSXDVLZNJIPA-ZDUSSCGKSA-N 0 1 350.419 0.146 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001604788459 1287781776 /nfs/dbraw/zinc/78/17/76/1287781776.db2.gz MWZSXDVLZNJIPA-ZDUSSCGKSA-N 0 1 350.419 0.146 20 30 FCEDMN Cc1sc2[nH]c(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)nc(=O)c2c1C ZINC001592520175 1285446938 /nfs/dbraw/zinc/44/69/38/1285446938.db2.gz RHWGPXRKUISCJM-UHFFFAOYSA-N 0 1 368.386 0.893 20 30 FCEDMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001604832235 1287792994 /nfs/dbraw/zinc/79/29/94/1287792994.db2.gz ZNXDFSMWYFRYMF-LLVKDONJSA-N 0 1 364.373 0.207 20 30 FCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC001592671903 1285567943 /nfs/dbraw/zinc/56/79/43/1285567943.db2.gz RQBLFGNYQLQBSK-PSASIEDQSA-N 0 1 364.316 0.701 20 30 FCEDMN N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001592676836 1285568958 /nfs/dbraw/zinc/56/89/58/1285568958.db2.gz AJTBQOGHADLPCO-UHFFFAOYSA-N 0 1 370.398 0.761 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1Cc1cccc(CN2CCOCC2)c1 ZINC001592684532 1285584658 /nfs/dbraw/zinc/58/46/58/1285584658.db2.gz WODHDNTYBMSOEH-UHFFFAOYSA-N 0 1 350.386 0.815 20 30 FCEDMN N#Cc1ncc(N2CCC[C@H](C(=O)NCC3CC3)C2)nc1-c1nn[nH]n1 ZINC001592708456 1285592492 /nfs/dbraw/zinc/59/24/92/1285592492.db2.gz RRNXONGZTSWCFZ-NSHDSACASA-N 0 1 353.390 0.271 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1-c1nnn[n-]1 ZINC001592708083 1285593456 /nfs/dbraw/zinc/59/34/56/1285593456.db2.gz SZNUWHSEPVBPAK-LBPRGKRZSA-N 0 1 355.406 0.584 20 30 FCEDMN N#Cc1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001592708083 1285593459 /nfs/dbraw/zinc/59/34/59/1285593459.db2.gz SZNUWHSEPVBPAK-LBPRGKRZSA-N 0 1 355.406 0.584 20 30 FCEDMN N#Cc1ncc(N[C@H]2CN(c3ccc(F)cc3)C2=O)nc1-c1nn[nH]n1 ZINC001592710703 1285596246 /nfs/dbraw/zinc/59/62/46/1285596246.db2.gz VTXHXWKMWVCJRB-NSHDSACASA-N 0 1 351.305 0.495 20 30 FCEDMN N#Cc1ncc(NC[C@@H](O)C(F)(F)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001592710431 1285596358 /nfs/dbraw/zinc/59/63/58/1285596358.db2.gz OFONRTWQQOFYMM-RXMQYKEDSA-N 0 1 350.211 0.499 20 30 FCEDMN N#Cc1ncc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001592710150 1285596745 /nfs/dbraw/zinc/59/67/45/1285596745.db2.gz HMKAYXQCSIUNCG-LBPRGKRZSA-N 0 1 355.406 0.584 20 30 FCEDMN O=C(C#CC1CC1)N(CCO)CCNCc1ccc(-c2nn[nH]n2)cc1F ZINC001592763854 1285683813 /nfs/dbraw/zinc/68/38/13/1285683813.db2.gz DBIXUPJPISGUBT-UHFFFAOYSA-N 0 1 372.404 0.330 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001592766128 1285688423 /nfs/dbraw/zinc/68/84/23/1285688423.db2.gz DCLXSHFRTTZFET-KGLIPLIRSA-N 0 1 364.413 0.640 20 30 FCEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001593681227 1286211430 /nfs/dbraw/zinc/21/14/30/1286211430.db2.gz DEZGTQOUFZSQNB-BLLLJJGKSA-N 0 1 362.455 0.435 20 30 FCEDMN C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001707158099 1286480825 /nfs/dbraw/zinc/48/08/25/1286480825.db2.gz SRNZPFARVDXHKW-PWSUYJOCSA-N 0 1 354.842 0.346 20 30 FCEDMN N#CCCN(CCC#N)C(=O)C[NH+]1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601067200 1286626794 /nfs/dbraw/zinc/62/67/94/1286626794.db2.gz SMRNNLHYXDLJIU-UHFFFAOYSA-N 0 1 359.390 0.269 20 30 FCEDMN N#CCc1cccc(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001601077967 1286629356 /nfs/dbraw/zinc/62/93/56/1286629356.db2.gz LOFDTGYZJVFLKL-KRWDZBQOSA-N 0 1 359.386 0.541 20 30 FCEDMN C#CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703662 1287066989 /nfs/dbraw/zinc/06/69/89/1287066989.db2.gz XTJQCCBWMHQFFT-OLZOCXBDSA-N 0 1 354.418 0.531 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602724198 1287079979 /nfs/dbraw/zinc/07/99/79/1287079979.db2.gz BWKYBFFVBPKACI-OLZOCXBDSA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001602724904 1287083537 /nfs/dbraw/zinc/08/35/37/1287083537.db2.gz HSOIZDWEIWJMCC-KBPBESRZSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001602726117 1287085707 /nfs/dbraw/zinc/08/57/07/1287085707.db2.gz CEWYQWQOTGPQDV-UKRRQHHQSA-N 0 1 371.445 0.665 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602727448 1287095235 /nfs/dbraw/zinc/09/52/35/1287095235.db2.gz XZJUQXYBPVCOND-GXTWGEPZSA-N 0 1 371.445 0.727 20 30 FCEDMN C#CCOCCC(=O)N[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001602729398 1287097240 /nfs/dbraw/zinc/09/72/40/1287097240.db2.gz QHELWPPBSXZZCA-QMMMGPOBSA-N 0 1 369.838 0.933 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001602745320 1287103319 /nfs/dbraw/zinc/10/33/19/1287103319.db2.gz AIJDZDKDAOXJDK-CTYIDZIISA-N 0 1 374.408 0.680 20 30 FCEDMN C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001602743453 1287103351 /nfs/dbraw/zinc/10/33/51/1287103351.db2.gz XDMLBAWILHOUIF-ZDUSSCGKSA-N 0 1 361.409 0.824 20 30 FCEDMN C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001602753284 1287104536 /nfs/dbraw/zinc/10/45/36/1287104536.db2.gz NKOOFNQIVZRXQZ-XQQFMLRXSA-N 0 1 372.433 0.509 20 30 FCEDMN C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001602756132 1287105552 /nfs/dbraw/zinc/10/55/52/1287105552.db2.gz DHGOMYTVKJZYDA-LBPRGKRZSA-N 0 1 360.422 0.269 20 30 FCEDMN C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CCCOC ZINC001602763825 1287107208 /nfs/dbraw/zinc/10/72/08/1287107208.db2.gz CWZXRZPOSZCUPG-UHFFFAOYSA-N 0 1 373.425 0.147 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602770025 1287108918 /nfs/dbraw/zinc/10/89/18/1287108918.db2.gz RDCZLDMTXJLSGF-DYEKYZERSA-N 0 1 370.417 0.333 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602782479 1287112625 /nfs/dbraw/zinc/11/26/25/1287112625.db2.gz AUUXWFKIVWMLQU-LBPRGKRZSA-N 0 1 357.418 0.535 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602790385 1287115583 /nfs/dbraw/zinc/11/55/83/1287115583.db2.gz KXUFZFVGBMGOPH-SJKOYZFVSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602792681 1287116848 /nfs/dbraw/zinc/11/68/48/1287116848.db2.gz HPFBOIFXKCKFRY-SJKOYZFVSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602792682 1287117358 /nfs/dbraw/zinc/11/73/58/1287117358.db2.gz HPFBOIFXKCKFRY-YVEFUNNKSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602793474 1287118490 /nfs/dbraw/zinc/11/84/90/1287118490.db2.gz BQRYXHROMLFVPE-KRWDZBQOSA-N 0 1 372.433 0.534 20 30 FCEDMN C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001602804089 1287122017 /nfs/dbraw/zinc/12/20/17/1287122017.db2.gz RGBUAYRDKSVRGN-ZDUSSCGKSA-N 0 1 374.426 0.218 20 30 FCEDMN C=CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602825259 1287126071 /nfs/dbraw/zinc/12/60/71/1287126071.db2.gz VWRZUXBAZVAREG-OLZOCXBDSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602841360 1287130734 /nfs/dbraw/zinc/13/07/34/1287130734.db2.gz VNGQGDXKPWVWJM-NSHDSACASA-N 0 1 358.406 0.121 20 30 FCEDMN C=CCCOCC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001602844054 1287132611 /nfs/dbraw/zinc/13/26/11/1287132611.db2.gz HCFDXCTUWTYJKV-WFASDCNBSA-N 0 1 357.418 0.535 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001602844248 1287134920 /nfs/dbraw/zinc/13/49/20/1287134920.db2.gz MRQUAMPRPMVOKB-QWHCGFSZSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CC[NH+](CC=C)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)C ZINC001602849974 1287136384 /nfs/dbraw/zinc/13/63/84/1287136384.db2.gz KOAFXHVGSUXRKT-GFCCVEGCSA-N 0 1 374.449 0.777 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001602867885 1287142379 /nfs/dbraw/zinc/14/23/79/1287142379.db2.gz BHDJFMPYBNMMQO-RYUDHWBXSA-N 0 1 358.406 0.333 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602891850 1287149816 /nfs/dbraw/zinc/14/98/16/1287149816.db2.gz JVBOXBZXCZSGIG-UONOGXRCSA-N 0 1 368.445 0.921 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001602982985 1287174393 /nfs/dbraw/zinc/17/43/93/1287174393.db2.gz CWIUDYBRWNIZQF-XWCIJXRUSA-N 0 1 367.417 0.682 20 30 FCEDMN COC(=O)Cc1ccccc1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001604945792 1287817999 /nfs/dbraw/zinc/81/79/99/1287817999.db2.gz ANWDEQUBOPYALF-UHFFFAOYSA-N 0 1 350.342 0.856 20 30 FCEDMN Cc1cc(NCC2CC(NC(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605729253 1288064584 /nfs/dbraw/zinc/06/45/84/1288064584.db2.gz AFDSSEXLOMHAGE-UHFFFAOYSA-N 0 1 351.414 0.712 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCOc1ccc(F)cc1 ZINC001609445668 1289155056 /nfs/dbraw/zinc/15/50/56/1289155056.db2.gz PLEIYPIFNQDWBI-UHFFFAOYSA-N 0 1 370.348 0.578 20 30 FCEDMN N#CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 ZINC001606343638 1288265911 /nfs/dbraw/zinc/26/59/11/1288265911.db2.gz QFZYIRSMERRJNE-UHFFFAOYSA-N 0 1 363.359 0.747 20 30 FCEDMN N#Cc1ncc(NCCNC(=O)c2ccc(O)cc2)nc1-c1nn[nH]n1 ZINC001606398132 1288286762 /nfs/dbraw/zinc/28/67/62/1288286762.db2.gz NNCNJXVEJGMPSI-UHFFFAOYSA-N 0 1 351.330 0.076 20 30 FCEDMN N#Cc1ncc(NCCCNC(=O)c2cccs2)nc1-c1nn[nH]n1 ZINC001606398290 1288286847 /nfs/dbraw/zinc/28/68/47/1288286847.db2.gz VEZKFGQZEHRSNW-UHFFFAOYSA-N 0 1 355.387 0.822 20 30 FCEDMN CO[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001606768710 1288502833 /nfs/dbraw/zinc/50/28/33/1288502833.db2.gz CITAMBPIJFVCEO-CZUORRHYSA-N 0 1 352.412 0.896 20 30 FCEDMN CO[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001606768710 1288502839 /nfs/dbraw/zinc/50/28/39/1288502839.db2.gz CITAMBPIJFVCEO-CZUORRHYSA-N 0 1 352.412 0.896 20 30 FCEDMN COC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(=O)[O-] ZINC001606791319 1288520518 /nfs/dbraw/zinc/52/05/18/1288520518.db2.gz OXHNYVWCJOZPJA-QGZVFWFLSA-N 0 1 357.370 0.762 20 30 FCEDMN O=C(N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606902218 1288557373 /nfs/dbraw/zinc/55/73/73/1288557373.db2.gz PPYSEACIFZLTTA-HWWDLCQESA-N 0 1 373.420 0.907 20 30 FCEDMN N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1 ZINC001608197438 1288788941 /nfs/dbraw/zinc/78/89/41/1288788941.db2.gz ZGEGMOWAFWPGJE-STQMWFEESA-N 0 1 362.773 0.791 20 30 FCEDMN C#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1F ZINC001609019552 1288882723 /nfs/dbraw/zinc/88/27/23/1288882723.db2.gz XELAGFJMGLFILN-NSHDSACASA-N 0 1 360.740 0.741 20 30 FCEDMN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001609137260 1288943677 /nfs/dbraw/zinc/94/36/77/1288943677.db2.gz HYNYENUNDROQKN-UHFFFAOYSA-N 0 1 370.427 0.635 20 30 FCEDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC001609735362 1289288039 /nfs/dbraw/zinc/28/80/39/1289288039.db2.gz WOSVKCOCKHVLOB-ZDUSSCGKSA-N 0 1 351.428 0.869 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001691963614 1289351787 /nfs/dbraw/zinc/35/17/87/1289351787.db2.gz CJQZWZUTNWKRCJ-ZWKOTPCHSA-N 0 1 371.485 0.634 20 30 FCEDMN 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C=CCOCC(=O)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129681752 1201369829 /nfs/dbraw/zinc/36/98/29/1201369829.db2.gz XUECHJHKVDKXQI-MOPGFXCFSA-N 0 1 365.437 0.874 20 30 FCEDMN C=CCCC(=O)N1C[C@@H](NCC(=O)N[C@H](C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129678200 1201375663 /nfs/dbraw/zinc/37/56/63/1201375663.db2.gz ZITMDRNYTSLXES-BMFZPTHFSA-N 0 1 360.462 0.501 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129733080 1201381063 /nfs/dbraw/zinc/38/10/63/1201381063.db2.gz NLQBCEGZCDRGQC-ZACQAIPSSA-N 0 1 361.446 0.229 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001129708437 1201382445 /nfs/dbraw/zinc/38/24/45/1201382445.db2.gz NUXJRZSZZLSDPM-OAGGEKHMSA-N 0 1 362.478 0.604 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001129708438 1201382996 /nfs/dbraw/zinc/38/29/96/1201382996.db2.gz NUXJRZSZZLSDPM-XHSDSOJGSA-N 0 1 362.478 0.604 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@@H]1n1ccnn1 ZINC001129782787 1201396301 /nfs/dbraw/zinc/39/63/01/1201396301.db2.gz OTJBHTZTWOVEOI-CVEARBPZSA-N 0 1 356.430 0.230 20 30 FCEDMN CCCC[C@H](N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129822283 1201401544 /nfs/dbraw/zinc/40/15/44/1201401544.db2.gz OFOYSWMHEBNKSU-XHSDSOJGSA-N 0 1 360.462 0.323 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)CC2(COC)CC2)C[C@@H]1n1ccnn1 ZINC001129824788 1201401922 /nfs/dbraw/zinc/40/19/22/1201401922.db2.gz BYURVLQBDPDGNL-CVEARBPZSA-N 0 1 361.446 0.086 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H](NCc2ccc(CO)cc2)[C@@H](n2ccnn2)C1 ZINC001129824786 1201402078 /nfs/dbraw/zinc/40/20/78/1201402078.db2.gz BXULIHXEAAQFEV-MOPGFXCFSA-N 0 1 367.453 0.972 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129881281 1201412340 /nfs/dbraw/zinc/41/23/40/1201412340.db2.gz DJNRLEKVGLWKQK-XHSDSOJGSA-N 0 1 362.478 0.891 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COCCc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129887897 1201413791 /nfs/dbraw/zinc/41/37/91/1201413791.db2.gz WFGTZIHOJLTYGK-MSOLQXFVSA-N 0 1 371.416 0.651 20 30 FCEDMN C[C@@]1(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@@H](n3ccnn3)C2)CC=CCC1 ZINC001129872080 1201417780 /nfs/dbraw/zinc/41/77/80/1201417780.db2.gz RYCMSPWYYDPJQW-RVKKMQEKSA-N 0 1 371.445 0.006 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@@H]1n1ccnn1 ZINC001129917241 1201427579 /nfs/dbraw/zinc/42/75/79/1201427579.db2.gz OPBLOVGALUBRJN-OIISXLGYSA-N 0 1 353.430 0.102 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@@H]1n1ccnn1 ZINC001129917242 1201427694 /nfs/dbraw/zinc/42/76/94/1201427694.db2.gz OPBLOVGALUBRJN-UAGQMJEPSA-N 0 1 353.430 0.102 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)C[C@@H]1n1ccnn1 ZINC001129917565 1201427730 /nfs/dbraw/zinc/42/77/30/1201427730.db2.gz WUADMQBAXPUHJP-SJORKVTESA-N 0 1 367.457 0.958 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1n1ccnn1 ZINC001129917161 1201427919 /nfs/dbraw/zinc/42/79/19/1201427919.db2.gz NLBBIYHVRVXNDD-OAGGEKHMSA-N 0 1 353.430 0.102 20 30 FCEDMN C#CCC1(C(=O)N2C[C@@H](NCC#CC)[C@@H](n3ccnn3)C2)CCOCC1 ZINC001129894624 1201428388 /nfs/dbraw/zinc/42/83/88/1201428388.db2.gz LOLGCSSUPHFWDR-SJORKVTESA-N 0 1 355.442 0.463 20 30 FCEDMN C#CCC1(C(=O)N2C[C@@H](N[C@H](CC)C(N)=O)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894838 1201429581 /nfs/dbraw/zinc/42/95/81/1201429581.db2.gz UZZHDYWJMKYTLW-KFWWJZLASA-N 0 1 358.446 0.077 20 30 FCEDMN CCc1cccc(C(=O)N2C[C@@H](NCC#CCOC)[C@@H](n3ccnn3)C2)n1 ZINC001129898382 1201432234 /nfs/dbraw/zinc/43/22/34/1201432234.db2.gz SISKWKFWJQIFHH-MSOLQXFVSA-N 0 1 368.441 0.541 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001129899680 1201432286 /nfs/dbraw/zinc/43/22/86/1201432286.db2.gz GDEFPJMNAMXMHV-CABCVRRESA-N 0 1 366.381 0.804 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@@H]1n1ccnn1 ZINC001129932186 1201435613 /nfs/dbraw/zinc/43/56/13/1201435613.db2.gz PXYARDREAAUFSB-MSOLQXFVSA-N 0 1 363.425 0.762 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@@H]1n1ccnn1 ZINC001129942675 1201439823 /nfs/dbraw/zinc/43/98/23/1201439823.db2.gz AFIAMMJENDFUOF-SJORKVTESA-N 0 1 353.430 0.618 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnn(C)c2CCC)C[C@@H]1n1ccnn1 ZINC001129924666 1201443727 /nfs/dbraw/zinc/44/37/27/1201443727.db2.gz FIXSTBJFQBLOLA-WBVHZDCISA-N 0 1 355.446 0.643 20 30 FCEDMN C#CCCCCCC(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129959044 1201451280 /nfs/dbraw/zinc/45/12/80/1201451280.db2.gz DBUOYQPJLLHOTP-MSOLQXFVSA-N 0 1 357.458 0.853 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@@H]1n1ccnn1 ZINC001129966213 1201455518 /nfs/dbraw/zinc/45/55/18/1201455518.db2.gz HBWGHIWHAGACHY-UGFJRNNNSA-N 0 1 370.457 0.280 20 30 FCEDMN CCCc1[nH]ccc1C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129970265 1201456921 /nfs/dbraw/zinc/45/69/21/1201456921.db2.gz GEMXVELYAHSFCZ-MSOLQXFVSA-N 0 1 370.457 0.864 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129978091 1201460012 /nfs/dbraw/zinc/46/00/12/1201460012.db2.gz QESVXOCSYDUIOD-BMFZPTHFSA-N 0 1 360.462 0.501 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C=C)CC)C[C@@H]1n1ccnn1 ZINC001129977929 1201460565 /nfs/dbraw/zinc/46/05/65/1201460565.db2.gz KYQXUBTUEHDREP-OAGGEKHMSA-N 0 1 360.462 0.524 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@@H]1n1ccnn1 ZINC001129976225 1201463735 /nfs/dbraw/zinc/46/37/35/1201463735.db2.gz IYFQZBWBJNFUFE-KFWWJZLASA-N 0 1 360.462 0.358 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@@H]1n1ccnn1 ZINC001129976761 1201464229 /nfs/dbraw/zinc/46/42/29/1201464229.db2.gz XZCPULPFXVBYDX-ZBFHGGJFSA-N 0 1 353.430 0.490 20 30 FCEDMN C=CCC1(C(=O)N2C[C@@H](N[C@H](C)C(=O)NC)[C@@H](n3ccnn3)C2)CCC1 ZINC001129994552 1201465298 /nfs/dbraw/zinc/46/52/98/1201465298.db2.gz ULGLIUNXDPLWGM-KFWWJZLASA-N 0 1 360.462 0.501 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1n1ccnn1 ZINC001130000784 1201467424 /nfs/dbraw/zinc/46/74/24/1201467424.db2.gz OMFNXIAXCREFMM-MCIONIFRSA-N 0 1 364.425 0.060 20 30 FCEDMN CCCC(C)(C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129990180 1201469840 /nfs/dbraw/zinc/46/98/40/1201469840.db2.gz PZKXFLVAKQRQDR-KGLIPLIRSA-N 0 1 361.450 0.086 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1n1ccnn1 ZINC001130015247 1201472635 /nfs/dbraw/zinc/47/26/35/1201472635.db2.gz NWYJELZWFBPWNH-OLZOCXBDSA-N 0 1 371.363 0.612 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001130015526 1201472812 /nfs/dbraw/zinc/47/28/12/1201472812.db2.gz XDNPDPHHWLBISA-WBVHZDCISA-N 0 1 367.457 0.569 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@@H]1n1ccnn1 ZINC001130026482 1201479562 /nfs/dbraw/zinc/47/95/62/1201479562.db2.gz RHPKYYHZNRWAGQ-SJORKVTESA-N 0 1 355.446 0.547 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)CCC)C[C@@H]1n1ccnn1 ZINC001130065625 1201489134 /nfs/dbraw/zinc/48/91/34/1201489134.db2.gz LYBPLFNDLJBUPQ-XHSDSOJGSA-N 0 1 362.478 0.748 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001130066824 1201490058 /nfs/dbraw/zinc/49/00/58/1201490058.db2.gz MRKREHSGLZYUKI-CVEARBPZSA-N 0 1 355.446 0.354 20 30 FCEDMN CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1n1ccnn1 ZINC001130083855 1201493532 /nfs/dbraw/zinc/49/35/32/1201493532.db2.gz MWZIOXJGPOSVEE-OLZOCXBDSA-N 0 1 367.369 0.199 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C[C@H](C)N2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001130083963 1201493683 /nfs/dbraw/zinc/49/36/83/1201493683.db2.gz RWXFUGYXKWNIAN-XHSDSOJGSA-N 0 1 358.446 0.044 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@@H]1n1ccnn1 ZINC001130086193 1201494041 /nfs/dbraw/zinc/49/40/41/1201494041.db2.gz PBAVDVKWGDAWQP-SJORKVTESA-N 0 1 357.458 0.850 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@@H]1n1ccnn1 ZINC001130109773 1201503680 /nfs/dbraw/zinc/50/36/80/1201503680.db2.gz GJYSPDUEEYJUMD-MJGOQNOKSA-N 0 1 364.453 0.949 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130125269 1201506610 /nfs/dbraw/zinc/50/66/10/1201506610.db2.gz FLLSKQPYXYRUCQ-JQHSSLGASA-N 0 1 353.426 0.968 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@@H]1n1ccnn1 ZINC001130129292 1201507999 /nfs/dbraw/zinc/50/79/99/1201507999.db2.gz ANAZULOYAFWUFK-KGLIPLIRSA-N 0 1 356.386 0.017 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@@H]1n1ccnn1 ZINC001130140333 1201516177 /nfs/dbraw/zinc/51/61/77/1201516177.db2.gz WCCIQWPRQRRZGG-FGTMMUONSA-N 0 1 367.457 0.341 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1n1ccnn1 ZINC001130151569 1201518088 /nfs/dbraw/zinc/51/80/88/1201518088.db2.gz XOVBKZQFGQPHJE-ZACQAIPSSA-N 0 1 351.410 0.819 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ncccc2OCC)C[C@@H]1n1ccnn1 ZINC001130161405 1201519958 /nfs/dbraw/zinc/51/99/58/1201519958.db2.gz UIMZMZQKCYBURF-CABCVRRESA-N 0 1 354.414 0.750 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001130160889 1201520002 /nfs/dbraw/zinc/52/00/02/1201520002.db2.gz HIJMKLBRKDJOJP-XKQJLSEDSA-N 0 1 369.473 0.797 20 30 FCEDMN 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/nfs/dbraw/zinc/77/24/30/1274772430.db2.gz TZCFXLFRYLFGHV-OWOJBTEDSA-N 0 1 362.459 0.563 20 30 FCEDMN N#CCSCC(=O)NC/C=C/CNC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001577710240 1274772437 /nfs/dbraw/zinc/77/24/37/1274772437.db2.gz TZCFXLFRYLFGHV-OWOJBTEDSA-N 0 1 362.459 0.563 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C2)[nH]1 ZINC001577712472 1274774177 /nfs/dbraw/zinc/77/41/77/1274774177.db2.gz NZYKXMJHORZILV-UHFFFAOYSA-N 0 1 367.413 0.606 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C2)[nH]1 ZINC001577712472 1274774188 /nfs/dbraw/zinc/77/41/88/1274774188.db2.gz NZYKXMJHORZILV-UHFFFAOYSA-N 0 1 367.413 0.606 20 30 FCEDMN N#Cc1nccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCCCc2cn[nH]n2)n1 ZINC001577718988 1274782027 /nfs/dbraw/zinc/78/20/27/1274782027.db2.gz DGRYLSUIHGBBPH-ZFWWWQNUSA-N 0 1 368.445 0.998 20 30 FCEDMN N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)c3cncc(-c4cn[nH]n4)c3)C2)cn1 ZINC001577719331 1274782096 /nfs/dbraw/zinc/78/20/96/1274782096.db2.gz QCHSLYGGVIWNQH-BETUJISGSA-N 0 1 361.369 0.901 20 30 FCEDMN N#Cc1nccc(NC[C@H](NC(=O)CCCCc2cn[nH]n2)C2CC2)n1 ZINC001577719720 1274785144 /nfs/dbraw/zinc/78/51/44/1274785144.db2.gz YHMPGODRBHATLH-AWEZNQCLSA-N 0 1 354.418 0.608 20 30 FCEDMN N#Cc1cncc(N2CC[C@H](CCNC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577719790 1274785632 /nfs/dbraw/zinc/78/56/32/1274785632.db2.gz ZZEDMDNTJLPOFA-ZDUSSCGKSA-N 0 1 370.417 0.406 20 30 FCEDMN O=C(CCCCCc1cn[nH]n1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O ZINC001577800516 1274903003 /nfs/dbraw/zinc/90/30/03/1274903003.db2.gz QBVVJXJVZSYPFQ-DLBZAZTESA-N 0 1 373.457 0.399 20 30 FCEDMN CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccnc(-c2nn[nH]n2)n1 ZINC001578074805 1275378516 /nfs/dbraw/zinc/37/85/16/1275378516.db2.gz HEGOFPPZMAZDHP-UHFFFAOYSA-N 0 1 352.362 0.113 20 30 FCEDMN CCO[C@H]1C[C@@H](O)C12CCN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 ZINC001578335502 1275685263 /nfs/dbraw/zinc/68/52/63/1275685263.db2.gz RNPSEJQQDWXUPJ-NEPJUHHUSA-N 0 1 356.390 0.285 20 30 FCEDMN CN(CCOCCNC(=O)N[C@@H]1CNC[C@H]1C#N)C(=O)OC(C)(C)C ZINC001578476864 1275892085 /nfs/dbraw/zinc/89/20/85/1275892085.db2.gz AOGVOYYXMJMIKQ-CHWSQXEVSA-N 0 1 355.439 0.281 20 30 FCEDMN C[NH+]1CCC(n2cc(Nc3cnc(-c4nnn[n-]4)c(C#N)n3)cn2)CC1 ZINC001579351608 1277206366 /nfs/dbraw/zinc/20/63/66/1277206366.db2.gz SSGRMBFOFFAJEZ-UHFFFAOYSA-N 0 1 351.378 0.735 20 30 FCEDMN C[NH+]1CCC(n2cc(Nc3cnc(-c4nn[n-]n4)c(C#N)n3)cn2)CC1 ZINC001579351608 1277206371 /nfs/dbraw/zinc/20/63/71/1277206371.db2.gz SSGRMBFOFFAJEZ-UHFFFAOYSA-N 0 1 351.378 0.735 20 30 FCEDMN CNC(=O)COc1cccc(Oc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001579398558 1277282604 /nfs/dbraw/zinc/28/26/04/1277282604.db2.gz OFZNXDDSBPJWMA-UHFFFAOYSA-N 0 1 352.314 0.445 20 30 FCEDMN COC(=O)[C@@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)Oc1ccccc1 ZINC001579465852 1277360700 /nfs/dbraw/zinc/36/07/00/1277360700.db2.gz NBEDXUPXUVYSKJ-GFCCVEGCSA-N 0 1 366.341 0.561 20 30 FCEDMN COCc1ccc([C@@H]2COCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)o1 ZINC001579831156 1277926532 /nfs/dbraw/zinc/92/65/32/1277926532.db2.gz BRPQTNQHYIHWMA-LBPRGKRZSA-N 0 1 368.357 0.846 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN1CC([C@@H](C)NC(=O)[C@H](C)C#N)C1 ZINC001579940464 1277972275 /nfs/dbraw/zinc/97/22/75/1277972275.db2.gz BQWSPXBACDFRKX-VXGBXAGGSA-N 0 1 369.429 0.971 20 30 FCEDMN N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CC(F)(F)CN)CCO1 ZINC001580041633 1277997641 /nfs/dbraw/zinc/99/76/41/1277997641.db2.gz FXCALAYZVDVPFA-ZDUSSCGKSA-N 0 1 363.372 0.587 20 30 FCEDMN Cc1cc(N(C)[C@@H]2CCN(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943111 1279151289 /nfs/dbraw/zinc/15/12/89/1279151289.db2.gz YFCQHUMERMLCKI-GFCCVEGCSA-N 0 1 372.458 0.864 20 30 FCEDMN Cc1cc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959044 1279163821 /nfs/dbraw/zinc/16/38/21/1279163821.db2.gz RGDYWQWCCCUFJY-GFCCVEGCSA-N 0 1 363.385 0.779 20 30 FCEDMN Cc1cc(NCC2(NC(=O)[C@H](C)C#N)CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581019401 1279250014 /nfs/dbraw/zinc/25/00/14/1279250014.db2.gz ZDWIYLRCDXXJAU-LLVKDONJSA-N 0 1 354.418 0.993 20 30 FCEDMN Cc1cc(NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581022876 1279253247 /nfs/dbraw/zinc/25/32/47/1279253247.db2.gz IMYYPKMQGHHKKB-IUODEOHRSA-N 0 1 365.441 0.912 20 30 FCEDMN Cc1ccccc1[C@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001581256568 1279531686 /nfs/dbraw/zinc/53/16/86/1279531686.db2.gz IPXRDIVQHVUYSE-HNNXBMFYSA-N 0 1 361.369 0.514 20 30 FCEDMN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1ccncc1-c1nn[nH]n1 ZINC001603541708 1287415135 /nfs/dbraw/zinc/41/51/35/1287415135.db2.gz SXUAIWGBNJHXOF-SNVBAGLBSA-N 0 1 351.374 0.361 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1C[C@@H](O)c1cc(Br)no1 ZINC001581860605 1280613792 /nfs/dbraw/zinc/61/37/92/1280613792.db2.gz JKICLSBYCWCNPO-ZCFIWIBFSA-N 0 1 351.124 0.419 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581864032 1280616240 /nfs/dbraw/zinc/61/62/40/1280616240.db2.gz BUZCDASVTGGXNE-LBPRGKRZSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581865077 1280618979 /nfs/dbraw/zinc/61/89/79/1280618979.db2.gz CUSMMAGXLVESMH-LLVKDONJSA-N 0 1 363.385 0.718 20 30 FCEDMN N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccnc1-c1nn[nH]n1)C2 ZINC001581874612 1280628989 /nfs/dbraw/zinc/62/89/89/1280628989.db2.gz ZCPALOVXXNKBDY-UHFFFAOYSA-N 0 1 353.367 0.838 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@H]2C(=O)NCc2ccco2)nc1-c1nn[nH]n1 ZINC001581881923 1280640575 /nfs/dbraw/zinc/64/05/75/1280640575.db2.gz FKJDOLSJOKCPLM-GFCCVEGCSA-N 0 1 365.357 0.407 20 30 FCEDMN N#Cc1ncc(NC[C@@H](n2cccn2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581883335 1280646337 /nfs/dbraw/zinc/64/63/37/1280646337.db2.gz WQPADIFLCJDTCM-MRVPVSSYSA-N 0 1 350.268 0.940 20 30 FCEDMN N#Cc1ncc(N[C@H]2CS(=O)(=O)Cc3ccccc32)nc1-c1nn[nH]n1 ZINC001581883212 1280648355 /nfs/dbraw/zinc/64/83/55/1280648355.db2.gz RNMYAXLMWXKXDT-LBPRGKRZSA-N 0 1 368.382 0.610 20 30 FCEDMN O=C(C#CC1CC1)NCCOCCCNc1ccncc1-c1nn[nH]n1 ZINC001581912783 1280715863 /nfs/dbraw/zinc/71/58/63/1280715863.db2.gz YNSREMBFFXELQI-UHFFFAOYSA-N 0 1 355.402 0.032 20 30 FCEDMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001603726424 1287480073 /nfs/dbraw/zinc/48/00/73/1287480073.db2.gz IYZCWINEMAPYTP-VIFPVBQESA-N 0 1 369.364 0.876 20 30 FCEDMN C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603920186 1287535523 /nfs/dbraw/zinc/53/55/23/1287535523.db2.gz KXSKUJWOIHZOJY-MFKMUULPSA-N 0 1 358.431 0.199 20 30 FCEDMN C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CN(C)CCN1C ZINC001586538429 1282302647 /nfs/dbraw/zinc/30/26/47/1282302647.db2.gz HWGAHWXXKFMGOP-GUYCJALGSA-N 0 1 367.457 0.690 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588336130 1282428493 /nfs/dbraw/zinc/42/84/93/1282428493.db2.gz IHIWBIIIQWBPFI-ZDUSSCGKSA-N 0 1 354.418 0.745 20 30 FCEDMN C#CC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001588337555 1282430253 /nfs/dbraw/zinc/43/02/53/1282430253.db2.gz RXWGOMRLWRZRQZ-JTQLQIEISA-N 0 1 362.371 0.809 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338164 1282430620 /nfs/dbraw/zinc/43/06/20/1282430620.db2.gz AFYJKZFBJHZBIM-ZIAGYGMSSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588338663 1282433140 /nfs/dbraw/zinc/43/31/40/1282433140.db2.gz NTJSIGZSPPFHLV-OLZOCXBDSA-N 0 1 354.418 0.934 20 30 FCEDMN C#CCN(C(=O)CCOC)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588348312 1282443085 /nfs/dbraw/zinc/44/30/85/1282443085.db2.gz PQWDDZPSSKASMR-UHFFFAOYSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCNC(=O)[C@H](C)N1CCC(Nc2ccccc2-c2nn[nH]n2)CC1 ZINC001588353616 1282450102 /nfs/dbraw/zinc/45/01/02/1282450102.db2.gz YSMLHMXSNZGEFP-ZDUSSCGKSA-N 0 1 353.430 0.881 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588354980 1282451905 /nfs/dbraw/zinc/45/19/05/1282451905.db2.gz CVIZFURGBCATMA-CHWSQXEVSA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355153 1282453402 /nfs/dbraw/zinc/45/34/02/1282453402.db2.gz FPLRWDONKNLQQM-RYUDHWBXSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588355153 1282453411 /nfs/dbraw/zinc/45/34/11/1282453411.db2.gz FPLRWDONKNLQQM-RYUDHWBXSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588355625 1282454868 /nfs/dbraw/zinc/45/48/68/1282454868.db2.gz KOPDAJJOJLFBHQ-KGLIPLIRSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588356424 1282459541 /nfs/dbraw/zinc/45/95/41/1282459541.db2.gz XJEYCEBSLHPPFY-GFCCVEGCSA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588357920 1282466302 /nfs/dbraw/zinc/46/63/02/1282466302.db2.gz QJJUNOATEDZVER-CHWSQXEVSA-N 0 1 355.402 0.303 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588358820 1282471223 /nfs/dbraw/zinc/47/12/23/1282471223.db2.gz VIEJPSUEGUQDOZ-NEPJUHHUSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588358820 1282471228 /nfs/dbraw/zinc/47/12/28/1282471228.db2.gz VIEJPSUEGUQDOZ-NEPJUHHUSA-N 0 1 360.443 0.657 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588360803 1282480522 /nfs/dbraw/zinc/48/05/22/1282480522.db2.gz WBOLGKVRNSCARF-WBMJQRKESA-N 0 1 369.429 0.291 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588361398 1282481725 /nfs/dbraw/zinc/48/17/25/1282481725.db2.gz LQMJRWMFNDOLCS-KBPBESRZSA-N 0 1 369.429 0.420 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588361318 1282483366 /nfs/dbraw/zinc/48/33/66/1282483366.db2.gz JVYTWACCEBGWEU-CYBMUJFWSA-N 0 1 370.417 0.172 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001588364468 1282490645 /nfs/dbraw/zinc/49/06/45/1282490645.db2.gz GLECMZNTGXCKLX-NEPJUHHUSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364489 1282492204 /nfs/dbraw/zinc/49/22/04/1282492204.db2.gz HERPAVOSNWMOIK-NWDGAFQWSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)nc1 ZINC001588368144 1282493091 /nfs/dbraw/zinc/49/30/91/1282493091.db2.gz QTDDXJPGUSGORB-LBPRGKRZSA-N 0 1 362.397 0.893 20 30 FCEDMN C#Cc1cncc(C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)c1 ZINC001588379753 1282495381 /nfs/dbraw/zinc/49/53/81/1282495381.db2.gz NBXJAZHNTIAUAB-UHFFFAOYSA-N 0 1 362.397 0.813 20 30 FCEDMN C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001588381258 1282498047 /nfs/dbraw/zinc/49/80/47/1282498047.db2.gz WHVBSDFKAFPPHW-NSHDSACASA-N 0 1 363.385 0.288 20 30 FCEDMN C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001588380867 1282498112 /nfs/dbraw/zinc/49/81/12/1282498112.db2.gz OJCYQPAXRRQFMR-OAHLLOKOSA-N 0 1 374.408 0.695 20 30 FCEDMN C=C(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)OCC ZINC001588410166 1282502360 /nfs/dbraw/zinc/50/23/60/1282502360.db2.gz MQQSHQVMOQVKOP-VIFPVBQESA-N 0 1 355.376 0.636 20 30 FCEDMN C=C1CCC(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588461771 1282510656 /nfs/dbraw/zinc/51/06/56/1282510656.db2.gz SGQYTXTYWATBGS-ZDUSSCGKSA-N 0 1 357.418 0.319 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588474804 1282512924 /nfs/dbraw/zinc/51/29/24/1282512924.db2.gz JNJPOPCQBRUFNG-AWEZNQCLSA-N 0 1 374.445 0.654 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588475217 1282515443 /nfs/dbraw/zinc/51/54/43/1282515443.db2.gz KKGVIUQHQIJUNN-GFCCVEGCSA-N 0 1 372.433 0.320 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588475607 1282517293 /nfs/dbraw/zinc/51/72/93/1282517293.db2.gz NHDLIMLLMFQNCW-ZDUSSCGKSA-N 0 1 371.445 0.844 20 30 FCEDMN C=CC(C)(C)CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588485004 1282521286 /nfs/dbraw/zinc/52/12/86/1282521286.db2.gz UTZIVHITZPRZCS-CYBMUJFWSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001588495355 1282523821 /nfs/dbraw/zinc/52/38/21/1282523821.db2.gz CMWOVZWFRFMDPB-PXAZEXFGSA-N 0 1 359.434 0.829 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588501932 1282536543 /nfs/dbraw/zinc/53/65/43/1282536543.db2.gz PMZADIMTGJIROG-SJKOYZFVSA-N 0 1 372.433 0.199 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588505374 1282545467 /nfs/dbraw/zinc/54/54/67/1282545467.db2.gz PNJBFVXPKQGIIZ-APPDUMDISA-N 0 1 362.409 0.927 20 30 FCEDMN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588531488 1282562088 /nfs/dbraw/zinc/56/20/88/1282562088.db2.gz CWSUXUXREVDEIC-NWDGAFQWSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588538780 1282563852 /nfs/dbraw/zinc/56/38/52/1282563852.db2.gz YIYLYNYIZRLGGK-UKRRQHHQSA-N 0 1 371.445 0.838 20 30 FCEDMN C=CCC1(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588553239 1282565986 /nfs/dbraw/zinc/56/59/86/1282565986.db2.gz KHWHQXATGHSDDI-GFCCVEGCSA-N 0 1 372.433 0.104 20 30 FCEDMN C=CCC1(C(=O)NCCCNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001588554235 1282567264 /nfs/dbraw/zinc/56/72/64/1282567264.db2.gz YWOKZJLVFMXZTC-UHFFFAOYSA-N 0 1 371.445 0.975 20 30 FCEDMN C=CCC[C@@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588577290 1282572957 /nfs/dbraw/zinc/57/29/57/1282572957.db2.gz FSLJAPIISZJQCD-GFCCVEGCSA-N 0 1 359.434 0.716 20 30 FCEDMN C=CCCCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588586329 1282575185 /nfs/dbraw/zinc/57/51/85/1282575185.db2.gz GRPNHOWFJXLIDJ-SFHVURJKSA-N 0 1 371.445 0.984 20 30 FCEDMN C=CCCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588587521 1282575314 /nfs/dbraw/zinc/57/53/14/1282575314.db2.gz WZTFKWBKEMYFLK-KRWDZBQOSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588608807 1282584110 /nfs/dbraw/zinc/58/41/10/1282584110.db2.gz QTSKHDMPLJXVTG-STQMWFEESA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588608931 1282585326 /nfs/dbraw/zinc/58/53/26/1282585326.db2.gz SCYIWRVROZTIGK-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609441 1282587322 /nfs/dbraw/zinc/58/73/22/1282587322.db2.gz XETIXCGYSBXDGU-STQMWFEESA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609450 1282587475 /nfs/dbraw/zinc/58/74/75/1282587475.db2.gz XHHCJHPHUXPJSM-QWHCGFSZSA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCCOCC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588610575 1282591002 /nfs/dbraw/zinc/59/10/02/1282591002.db2.gz HWUDTDLHUHRMGM-UHFFFAOYSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588615719 1282592776 /nfs/dbraw/zinc/59/27/76/1282592776.db2.gz FMGVUSBHRZDQGA-LBPRGKRZSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCCOCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588616355 1282596660 /nfs/dbraw/zinc/59/66/60/1282596660.db2.gz FDRIOILWJXMUBY-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCN(Cc1ccccc1F)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588653496 1282603975 /nfs/dbraw/zinc/60/39/75/1282603975.db2.gz JFHSIOMCBXQVEG-UHFFFAOYSA-N 0 1 371.380 0.995 20 30 FCEDMN C=CCN1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001588657843 1282610624 /nfs/dbraw/zinc/61/06/24/1282610624.db2.gz YCGWTJWXQUTAAN-PXAZEXFGSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001588666948 1282622965 /nfs/dbraw/zinc/62/29/65/1282622965.db2.gz OORZZDDSZKKJJZ-CHWSQXEVSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCOCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588672174 1282628397 /nfs/dbraw/zinc/62/83/97/1282628397.db2.gz SVGKFHGHGVXCKY-CYBMUJFWSA-N 0 1 357.418 0.598 20 30 FCEDMN C=CCOCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588682945 1282645374 /nfs/dbraw/zinc/64/53/74/1282645374.db2.gz VANCSUINMIJGIA-HAQNSBGRSA-N 0 1 358.406 0.121 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)C1CC(C)(C)C1 ZINC001588709970 1282656161 /nfs/dbraw/zinc/65/61/61/1282656161.db2.gz ZBXMMXCAXVSYRL-UHFFFAOYSA-N 0 1 369.437 0.909 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001588709544 1282658267 /nfs/dbraw/zinc/65/82/67/1282658267.db2.gz UPBPHCMRAWNGAC-RYUDHWBXSA-N 0 1 369.437 0.766 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588722573 1282668691 /nfs/dbraw/zinc/66/86/91/1282668691.db2.gz ZYTKWDZLJZKELQ-ZENOOKHLSA-N 0 1 369.429 0.678 20 30 FCEDMN CC#CCCCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588740574 1282681303 /nfs/dbraw/zinc/68/13/03/1282681303.db2.gz SAFYYPXSEUTLRV-KRWDZBQOSA-N 0 1 354.418 0.935 20 30 FCEDMN Cc1[nH]c(C2CCN(C(=O)Cn3cc(C#N)c(=O)[n-]c3=O)CC2)[nH+]c1C ZINC001638493466 1282702687 /nfs/dbraw/zinc/70/26/87/1282702687.db2.gz RYVIQIXRSLWFGM-UHFFFAOYSA-N 0 1 356.386 0.567 20 30 FCEDMN C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)n1cnc(-c2nn[nH]n2)n1 ZINC001588936581 1282732506 /nfs/dbraw/zinc/73/25/06/1282732506.db2.gz KTADHMSNAFQTOM-ZJUUUORDSA-N 0 1 362.357 0.782 20 30 FCEDMN C[N@@H+]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](Cc2ccccc2)C1 ZINC001639818474 1282816961 /nfs/dbraw/zinc/81/69/61/1282816961.db2.gz KDKOTMXZSRGIFF-INIZCTEOSA-N 0 1 367.409 0.206 20 30 FCEDMN C[N@H+]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](Cc2ccccc2)C1 ZINC001639818474 1282816970 /nfs/dbraw/zinc/81/69/70/1282816970.db2.gz KDKOTMXZSRGIFF-INIZCTEOSA-N 0 1 367.409 0.206 20 30 FCEDMN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC001640000767 1282830950 /nfs/dbraw/zinc/83/09/50/1282830950.db2.gz HVLHHAAQOAXEIS-LSDHHAIUSA-N 0 1 364.423 0.558 20 30 FCEDMN CC(C)C#CC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589385256 1282859748 /nfs/dbraw/zinc/85/97/48/1282859748.db2.gz YCFARMOYFYWKOS-CQSZACIVSA-N 0 1 368.445 0.921 20 30 FCEDMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985215 1283155251 /nfs/dbraw/zinc/15/52/51/1283155251.db2.gz FFTHXUMENHYHJT-GXTWGEPZSA-N 0 1 366.429 0.531 20 30 FCEDMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985217 1283155630 /nfs/dbraw/zinc/15/56/30/1283155630.db2.gz FFTHXUMENHYHJT-OCCSQVGLSA-N 0 1 366.429 0.531 20 30 FCEDMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985506 1283156572 /nfs/dbraw/zinc/15/65/72/1283156572.db2.gz KLMYWASNOASVLA-STQMWFEESA-N 0 1 368.445 0.777 20 30 FCEDMN CCc1ccc(CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)s1 ZINC001604523191 1287651436 /nfs/dbraw/zinc/65/14/36/1287651436.db2.gz IIUSADKBLHPBRW-UHFFFAOYSA-N 0 1 357.403 0.457 20 30 FCEDMN CCCN(C(=O)C#CC1CC1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590615707 1283650381 /nfs/dbraw/zinc/65/03/81/1283650381.db2.gz AIGQXLQFQQHEER-AWEZNQCLSA-N 0 1 366.429 0.887 20 30 FCEDMN CCOc1cc(C#N)ccc1OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001590825824 1283905160 /nfs/dbraw/zinc/90/51/60/1283905160.db2.gz SRNHCRGBXCLVBE-VIFPVBQESA-N 0 1 354.330 0.895 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590862645 1283935587 /nfs/dbraw/zinc/93/55/87/1283935587.db2.gz RQGVNQYVSPBTHU-QWHCGFSZSA-N 0 1 352.402 0.544 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CNC/C=C/CNC(=O)[C@@H](C)C#N ZINC001591562407 1284734721 /nfs/dbraw/zinc/73/47/21/1284734721.db2.gz IOCXYKGPMQAGQA-PCAWENJQSA-N 0 1 355.402 0.797 20 30 FCEDMN CSc1cccc(NC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001591715702 1284852607 /nfs/dbraw/zinc/85/26/07/1284852607.db2.gz FXGVLGIZDMNYGX-UHFFFAOYSA-N 0 1 355.387 0.878 20 30 FCEDMN C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001591777287 1284897349 /nfs/dbraw/zinc/89/73/49/1284897349.db2.gz GYXREQQTUISPDO-KUHUBIRLSA-N 0 1 363.425 0.960 20 30 FCEDMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)C#CC2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591994055 1285048988 /nfs/dbraw/zinc/04/89/88/1285048988.db2.gz VVRRGYXSOYYHSU-CQSZACIVSA-N 0 1 369.429 0.239 20 30 FCEDMN Cc1cc(NC2CCN(C(=O)CSCC#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592038744 1285080391 /nfs/dbraw/zinc/08/03/91/1285080391.db2.gz RSCGBGUCOYDZSN-UHFFFAOYSA-N 0 1 372.458 0.652 20 30 FCEDMN Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036327 1285081310 /nfs/dbraw/zinc/08/13/10/1285081310.db2.gz QNOJQHYPXJGJPY-VXGBXAGGSA-N 0 1 372.458 0.650 20 30 FCEDMN Cc1cc(NC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592042958 1285083037 /nfs/dbraw/zinc/08/30/37/1285083037.db2.gz SCYXYEBBCJIEHM-PIGZYNQJSA-N 0 1 354.418 0.802 20 30 FCEDMN CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001604728974 1287759702 /nfs/dbraw/zinc/75/97/02/1287759702.db2.gz IWGIGTJZQARWFR-AWEZNQCLSA-N 0 1 366.429 0.745 20 30 FCEDMN Cc1nc2ccccn2c(=O)c1CCn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001592404545 1285314562 /nfs/dbraw/zinc/31/45/62/1285314562.db2.gz QEZMAWDNISMAFI-UHFFFAOYSA-N 0 1 362.357 0.076 20 30 FCEDMN Cc1nc([C@H](C)NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001592440976 1285372663 /nfs/dbraw/zinc/37/26/63/1285372663.db2.gz JTFWAFSPYNTQGP-ZANVPECISA-N 0 1 351.374 0.853 20 30 FCEDMN Cn1cc([C@@H]2C[C@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)CCO2)cn1 ZINC001592568890 1285483992 /nfs/dbraw/zinc/48/39/92/1285483992.db2.gz CDOUWUFOCLKEHL-PWSUYJOCSA-N 0 1 352.362 0.594 20 30 FCEDMN N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCc1nc[nH]n1 ZINC001592666781 1285563156 /nfs/dbraw/zinc/56/31/56/1285563156.db2.gz QPXKUHZFSKXPIV-CYBMUJFWSA-N 0 1 351.374 0.416 20 30 FCEDMN N#CC1(C[C@@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CCC1 ZINC001592667966 1285564752 /nfs/dbraw/zinc/56/47/52/1285564752.db2.gz AUPYZDHLZYVRQO-OAHLLOKOSA-N 0 1 368.445 0.829 20 30 FCEDMN N#C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592673153 1285567729 /nfs/dbraw/zinc/56/77/29/1285567729.db2.gz VFVPUOIOGCZMAZ-SECBINFHSA-N 0 1 363.359 0.699 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592679373 1285576013 /nfs/dbraw/zinc/57/60/13/1285576013.db2.gz OTPJUCBRFQIZHH-NEPJUHHUSA-N 0 1 372.458 0.637 20 30 FCEDMN N#C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592681328 1285578508 /nfs/dbraw/zinc/57/85/08/1285578508.db2.gz QUMMODIFHNLZOP-DTWKUNHWSA-N 0 1 363.359 0.745 20 30 FCEDMN N#Cc1c[nH]c(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001592687485 1285582706 /nfs/dbraw/zinc/58/27/06/1285582706.db2.gz PSTWAZXDPWMYKM-UHFFFAOYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CCS(=O)(=O)C1CCCCC1 ZINC001592684372 1285584036 /nfs/dbraw/zinc/58/40/36/1285584036.db2.gz YVPTUDAUQBLYQY-UHFFFAOYSA-N 0 1 350.408 0.265 20 30 FCEDMN N#Cc1cccc([C@@H]2CN(Cn3cccc(-c4nn[nH]n4)c3=O)CCO2)c1 ZINC001592702523 1285591949 /nfs/dbraw/zinc/59/19/49/1285591949.db2.gz YKFIDRRZLCKZNH-INIZCTEOSA-N 0 1 363.381 0.931 20 30 FCEDMN N#Cc1ncc(N2CCC[C@H](c3nnc4ccccn43)C2)nc1-c1nn[nH]n1 ZINC001592708527 1285592757 /nfs/dbraw/zinc/59/27/57/1285592757.db2.gz XMMXZLXPQWJBKX-NSHDSACASA-N 0 1 373.384 0.955 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CN(c3ccc(F)cc3)C2=O)nc1-c1nn[nH]n1 ZINC001592710702 1285596524 /nfs/dbraw/zinc/59/65/24/1285596524.db2.gz VTXHXWKMWVCJRB-LLVKDONJSA-N 0 1 351.305 0.495 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001592767926 1285689958 /nfs/dbraw/zinc/68/99/58/1285689958.db2.gz RUOUJZAQEWHMCE-AGIUHOORSA-N 0 1 350.386 0.296 20 30 FCEDMN N#Cc1ccc(CNC(=O)C[NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1 ZINC001601099720 1286631956 /nfs/dbraw/zinc/63/19/56/1286631956.db2.gz FFLRAULOOJWFEN-UHFFFAOYSA-N 0 1 368.397 0.801 20 30 FCEDMN N#Cc1cccc(S(=O)(=O)CC[N@H+](CC(=O)[O-])C2CCOCC2)c1 ZINC001601121826 1286639334 /nfs/dbraw/zinc/63/93/34/1286639334.db2.gz YXCAOWVINZMSPL-UHFFFAOYSA-N 0 1 352.412 0.898 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602702040 1287061748 /nfs/dbraw/zinc/06/17/48/1287061748.db2.gz BXINQUQIVDKEMB-CYBMUJFWSA-N 0 1 354.418 0.533 20 30 FCEDMN C#CCCCCCC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001602710656 1287067346 /nfs/dbraw/zinc/06/73/46/1287067346.db2.gz YHPYSFKGFAFGMQ-CYBMUJFWSA-N 0 1 356.434 0.921 20 30 FCEDMN C#CCC[NH+]1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CC1 ZINC001602708571 1287068242 /nfs/dbraw/zinc/06/82/42/1287068242.db2.gz VYJRFZMBMRHLRV-AWEZNQCLSA-N 0 1 367.446 0.912 20 30 FCEDMN C#CCCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001602706247 1287068345 /nfs/dbraw/zinc/06/83/45/1287068345.db2.gz ODQRFHWWVZUTEG-OKILXGFUSA-N 0 1 366.429 0.745 20 30 FCEDMN C#CCCCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602709380 1287069415 /nfs/dbraw/zinc/06/94/15/1287069415.db2.gz CRKAQHWQUHLUEF-ZDUSSCGKSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCN1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001602721500 1287076517 /nfs/dbraw/zinc/07/65/17/1287076517.db2.gz LXCFOKYCJYIRQP-CYBMUJFWSA-N 0 1 369.429 0.524 20 30 FCEDMN C#CCN1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001602721612 1287076566 /nfs/dbraw/zinc/07/65/66/1287076566.db2.gz PZTJBWKMCDLGIA-UHFFFAOYSA-N 0 1 357.393 0.903 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001602722593 1287081853 /nfs/dbraw/zinc/08/18/53/1287081853.db2.gz ZWHPCGGFORWUCG-ZYHUDNBSSA-N 0 1 367.335 0.811 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602724822 1287082880 /nfs/dbraw/zinc/08/28/80/1287082880.db2.gz HEEOVEBHNILDDD-CYBMUJFWSA-N 0 1 369.429 0.563 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602726557 1287089024 /nfs/dbraw/zinc/08/90/24/1287089024.db2.gz SOHIAQHETMKQDJ-CYBMUJFWSA-N 0 1 357.418 0.551 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001602727747 1287094390 /nfs/dbraw/zinc/09/43/90/1287094390.db2.gz ZVAFKHKURHNMKH-VXGBXAGGSA-N 0 1 372.433 0.060 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)nc1 ZINC001602735851 1287099799 /nfs/dbraw/zinc/09/97/99/1287099799.db2.gz UJTRCTIAIJZUNW-SJCJKPOMSA-N 0 1 374.408 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001602739980 1287101761 /nfs/dbraw/zinc/10/17/61/1287101761.db2.gz RPGNLDWTEDTIFO-LLVKDONJSA-N 0 1 363.385 0.075 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001602792374 1287117277 /nfs/dbraw/zinc/11/72/77/1287117277.db2.gz FTIHFWDGSLIWIK-JCGVRSQUSA-N 0 1 371.445 0.626 20 30 FCEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001602841429 1287130691 /nfs/dbraw/zinc/13/06/91/1287130691.db2.gz XBVBUOGNTMYBGC-KRWDZBQOSA-N 0 1 357.418 0.688 20 30 FCEDMN Cc1n[nH]c(CCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)n1 ZINC001707770995 1287138892 /nfs/dbraw/zinc/13/88/92/1287138892.db2.gz KNGWTIRVFKULSL-GFCCVEGCSA-N 0 1 371.449 0.666 20 30 FCEDMN Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)[nH]1 ZINC001707770995 1287138899 /nfs/dbraw/zinc/13/88/99/1287138899.db2.gz KNGWTIRVFKULSL-GFCCVEGCSA-N 0 1 371.449 0.666 20 30 FCEDMN 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N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001609500489 1289181075 /nfs/dbraw/zinc/18/10/75/1289181075.db2.gz DGBVCUPVZARGEI-UHFFFAOYSA-N 0 1 360.359 0.117 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1CCCS(=O)(=O)N(C)C ZINC001691976307 1289355245 /nfs/dbraw/zinc/35/52/45/1289355245.db2.gz OZONJOCLWBZGBZ-JKSUJKDBSA-N 0 1 355.504 0.650 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(OC)nn3)C[C@@H]2C1 ZINC001692080533 1289386227 /nfs/dbraw/zinc/38/62/27/1289386227.db2.gz GWQYBFUOODALHM-KGLIPLIRSA-N 0 1 359.430 0.181 20 30 FCEDMN C[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C(=O)[O-])C1 ZINC001610136282 1289389972 /nfs/dbraw/zinc/38/99/72/1289389972.db2.gz DMLREAFAINSJDX-CQSZACIVSA-N 0 1 351.428 0.280 20 30 FCEDMN C[N@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C(=O)[O-])C1 ZINC001610136282 1289389984 /nfs/dbraw/zinc/38/99/84/1289389984.db2.gz DMLREAFAINSJDX-CQSZACIVSA-N 0 1 351.428 0.280 20 30 FCEDMN C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001692352938 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ZINC001575005210 1271689843 /nfs/dbraw/zinc/68/98/43/1271689843.db2.gz XGLGPZKEPZQTTO-UHFFFAOYSA-N 0 1 374.489 0.783 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001575004936 1271690421 /nfs/dbraw/zinc/69/04/21/1271690421.db2.gz QFIISUSJHMYJKR-GDBMZVCRSA-N 0 1 373.457 0.615 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001575004936 1271690428 /nfs/dbraw/zinc/69/04/28/1271690428.db2.gz QFIISUSJHMYJKR-GDBMZVCRSA-N 0 1 373.457 0.615 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575013185 1271694414 /nfs/dbraw/zinc/69/44/14/1271694414.db2.gz NCKTUQUDPMNVKB-NEPJUHHUSA-N 0 1 356.386 0.140 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](CC)CNC(=O)[C@@H](C)OCc2c[nH]nn2)nc1 ZINC001575022124 1271696365 /nfs/dbraw/zinc/69/63/65/1271696365.db2.gz MRHGDWRDODNENP-TZMCWYRMSA-N 0 1 370.413 0.411 20 30 FCEDMN C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCc3cn[nH]n3)cc2)C1 ZINC001575047890 1271700583 /nfs/dbraw/zinc/70/05/83/1271700583.db2.gz GMPMODNESOYJSO-IAGOWNOFSA-N 0 1 357.414 0.735 20 30 FCEDMN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(OCc3cn[nH]n3)cc2)C1 ZINC001575047890 1271700587 /nfs/dbraw/zinc/70/05/87/1271700587.db2.gz GMPMODNESOYJSO-IAGOWNOFSA-N 0 1 357.414 0.735 20 30 FCEDMN C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)CCOCc1c[nH]nn1)CO2 ZINC001575052976 1271701153 /nfs/dbraw/zinc/70/11/53/1271701153.db2.gz BPBJYPHFORRGHI-LBPRGKRZSA-N 0 1 355.826 0.423 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001575059209 1271704049 /nfs/dbraw/zinc/70/40/49/1271704049.db2.gz JTEFEDKLCCWPNF-TZMCWYRMSA-N 0 1 374.445 0.130 20 30 FCEDMN C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575066208 1271705559 /nfs/dbraw/zinc/70/55/59/1271705559.db2.gz QWHQHUOUGPBXKU-KRWDZBQOSA-N 0 1 365.434 0.003 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001575072194 1271707373 /nfs/dbraw/zinc/70/73/73/1271707373.db2.gz HKPNSFOZVIPGEA-ZBFHGGJFSA-N 0 1 369.491 0.512 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NC(=O)CCCc2c[nH]nn2)CC1 ZINC001575072743 1271707873 /nfs/dbraw/zinc/70/78/73/1271707873.db2.gz LHHSHOZAGMMQQY-KBXCAEBGSA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NC(=O)CCCc2cnn[nH]2)CC1 ZINC001575072743 1271707878 /nfs/dbraw/zinc/70/78/78/1271707878.db2.gz LHHSHOZAGMMQQY-KBXCAEBGSA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@H](NC(=O)CCCc2c[nH]nn2)CC1 ZINC001575072749 1271707988 /nfs/dbraw/zinc/70/79/88/1271707988.db2.gz LHHSHOZAGMMQQY-KSSFIOAISA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC[C@H](NC(=O)CCCc2cnn[nH]2)CC1 ZINC001575072749 1271707992 /nfs/dbraw/zinc/70/79/92/1271707992.db2.gz LHHSHOZAGMMQQY-KSSFIOAISA-N 0 1 363.462 0.952 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575074052 1271709338 /nfs/dbraw/zinc/70/93/38/1271709338.db2.gz UPMWQSGNYSJOGA-FZKQIMNGSA-N 0 1 372.429 0.676 20 30 FCEDMN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(Cc2c[nH]nn2)CCCO1 ZINC001575073442 1271709927 /nfs/dbraw/zinc/70/99/27/1271709927.db2.gz PPFGXZPVHOEMML-WBVHZDCISA-N 0 1 351.451 0.741 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CC(=O)NCc2cn[nH]n2)C[C@H]1C ZINC001575074667 1271709984 /nfs/dbraw/zinc/70/99/84/1271709984.db2.gz XRDSBOWZCXGYMN-HBUWYVDXSA-N 0 1 362.478 0.707 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@H]21 ZINC001575073082 1271710406 /nfs/dbraw/zinc/71/04/06/1271710406.db2.gz NADJSFDOBOKASR-SIIHOXLZSA-N 0 1 361.446 0.514 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C[C@H]21 ZINC001575073082 1271710410 /nfs/dbraw/zinc/71/04/10/1271710410.db2.gz NADJSFDOBOKASR-SIIHOXLZSA-N 0 1 361.446 0.514 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N1CCCN([C@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001575073511 1271710517 /nfs/dbraw/zinc/71/05/17/1271710517.db2.gz QROQCSGZBROVOK-RDTXWAMCSA-N 0 1 362.478 0.946 20 30 FCEDMN C=C[C@](C)(CCOC)C(=O)NCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001575074636 1271711042 /nfs/dbraw/zinc/71/10/42/1271711042.db2.gz XCOMDHGKQUOQRZ-QGZVFWFLSA-N 0 1 350.467 0.267 20 30 FCEDMN C=C[C@H](CC)CC(=O)N(Cc1c[nH]nn1)C1CCN(CC(=O)NC)CC1 ZINC001575076081 1271711583 /nfs/dbraw/zinc/71/15/83/1271711583.db2.gz WTJGZFKRCJYEBV-CQSZACIVSA-N 0 1 362.478 0.946 20 30 FCEDMN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)CC(=O)NCc1c[nH]nn1 ZINC001575079364 1271711638 /nfs/dbraw/zinc/71/16/38/1271711638.db2.gz XAMSOZNHBMMUNE-GFCCVEGCSA-N 0 1 364.450 0.376 20 30 FCEDMN C=CCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(CC(=O)NCc2cn[nH]n2)C1 ZINC001575085516 1271714583 /nfs/dbraw/zinc/71/45/83/1271714583.db2.gz LENRTUSVUVZHSQ-HJWJTTGWSA-N 0 1 372.473 0.556 20 30 FCEDMN C=CCCC(=O)N(Cc1c[nH]nn1)C1CCN(CC(=O)NC2CC2)CC1 ZINC001575086194 1271715396 /nfs/dbraw/zinc/71/53/96/1271715396.db2.gz STXVSYSKQRHYNZ-UHFFFAOYSA-N 0 1 360.462 0.843 20 30 FCEDMN C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575093876 1271716485 /nfs/dbraw/zinc/71/64/85/1271716485.db2.gz QJTNGJJHDGUECY-SFHVURJKSA-N 0 1 363.462 0.953 20 30 FCEDMN C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575093876 1271716487 /nfs/dbraw/zinc/71/64/87/1271716487.db2.gz QJTNGJJHDGUECY-SFHVURJKSA-N 0 1 363.462 0.953 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)C1CN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575096764 1271717517 /nfs/dbraw/zinc/71/75/17/1271717517.db2.gz BHZTYTGTFLTCMC-OLZOCXBDSA-N 0 1 365.434 0.360 20 30 FCEDMN C=CCCOCC(=O)N1CCC2(CC1)CN(CCc1c[nH]nn1)CCO2 ZINC001575100318 1271718239 /nfs/dbraw/zinc/71/82/39/1271718239.db2.gz OZJUWGFBFORLPT-UHFFFAOYSA-N 0 1 363.462 0.633 20 30 FCEDMN C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2N(Cc2c[nH]nn2)CC3)nn1 ZINC001575099825 1271718882 /nfs/dbraw/zinc/71/88/82/1271718882.db2.gz FLNKSNFEZNQBCD-RDJZCZTQSA-N 0 1 356.434 0.899 20 30 FCEDMN C=CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575110712 1271724586 /nfs/dbraw/zinc/72/45/86/1271724586.db2.gz YUUHJXFYBZJROH-LAQFHYBYSA-N 0 1 368.397 0.256 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC001575118587 1271730578 /nfs/dbraw/zinc/73/05/78/1271730578.db2.gz PCAZZJVMPZPVIO-DZGCQCFKSA-N 0 1 357.418 0.993 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)O ZINC001575117728 1271731052 /nfs/dbraw/zinc/73/10/52/1271731052.db2.gz DPEQKHPXGYNIJK-UHFFFAOYSA-N 0 1 374.449 0.335 20 30 FCEDMN CC(C)(C)OC(=O)CN1CCC(NC(=O)N[C@H]2CNC[C@H]2C#N)CC1 ZINC001575160005 1271756165 /nfs/dbraw/zinc/75/61/65/1271756165.db2.gz BWTCBEZRLQGXLR-OCCSQVGLSA-N 0 1 351.451 0.203 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575176114 1271763182 /nfs/dbraw/zinc/76/31/82/1271763182.db2.gz DPGLLGMLVOGHAC-STQMWFEESA-N 0 1 367.413 0.947 20 30 FCEDMN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001575176219 1271764626 /nfs/dbraw/zinc/76/46/26/1271764626.db2.gz FHAUFQNCOAGOFU-STQMWFEESA-N 0 1 373.461 0.139 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575177179 1271765712 /nfs/dbraw/zinc/76/57/12/1271765712.db2.gz KFEMEGKEZNAEEP-QWHCGFSZSA-N 0 1 367.413 0.995 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575178612 1271766887 /nfs/dbraw/zinc/76/68/87/1271766887.db2.gz PNKWNBJTKQMRJA-DGCLKSJQSA-N 0 1 353.386 0.699 20 30 FCEDMN C[C@@H](C(=O)NCc1c[nH]nn1)N1CCC[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001575223561 1271821225 /nfs/dbraw/zinc/82/12/25/1271821225.db2.gz OIJZNIZBUZXMBU-LIRRHRJNSA-N 0 1 372.473 0.441 20 30 FCEDMN CC(C)(CC#N)CS(=O)(=O)N1CCC(C(=O)NCc2c[nH]nn2)CC1 ZINC001575296609 1271884541 /nfs/dbraw/zinc/88/45/41/1271884541.db2.gz WMLDSPOABUNMAO-UHFFFAOYSA-N 0 1 368.463 0.403 20 30 FCEDMN C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575313099 1271904652 /nfs/dbraw/zinc/90/46/52/1271904652.db2.gz DEPJSCVBXKDAGE-UWVGGRQHSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)C#CC(=O)N1CCN(CCN(C)C(=O)CCCc2c[nH]nn2)CC1 ZINC001575317652 1271916382 /nfs/dbraw/zinc/91/63/82/1271916382.db2.gz CJELFICRMAJNKL-UHFFFAOYSA-N 0 1 374.489 0.389 20 30 FCEDMN CC(C)C#CC(=O)N1CCN(CCN(C)C(=O)CCCc2cnn[nH]2)CC1 ZINC001575317652 1271916389 /nfs/dbraw/zinc/91/63/89/1271916389.db2.gz CJELFICRMAJNKL-UHFFFAOYSA-N 0 1 374.489 0.389 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C[C@H]2C1 ZINC001575318497 1271918654 /nfs/dbraw/zinc/91/86/54/1271918654.db2.gz KMFXNMQEIJRPHJ-CVEARBPZSA-N 0 1 373.457 0.678 20 30 FCEDMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575320690 1271923401 /nfs/dbraw/zinc/92/34/01/1271923401.db2.gz VPFDFRQNLIZUIK-ZJUUUORDSA-N 0 1 351.374 0.502 20 30 FCEDMN C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575320688 1271923991 /nfs/dbraw/zinc/92/39/91/1271923991.db2.gz VPFDFRQNLIZUIK-UWVGGRQHSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)CCCc1c[nH]nn1 ZINC001575359543 1271994941 /nfs/dbraw/zinc/99/49/41/1271994941.db2.gz AOVOFVWGJBNZBD-CQSZACIVSA-N 0 1 356.434 0.854 20 30 FCEDMN CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)CCCc1cnn[nH]1 ZINC001575359543 1271994955 /nfs/dbraw/zinc/99/49/55/1271994955.db2.gz AOVOFVWGJBNZBD-CQSZACIVSA-N 0 1 356.434 0.854 20 30 FCEDMN C[C@H](CCCNc1cncc(C#N)n1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001575529737 1272180388 /nfs/dbraw/zinc/18/03/88/1272180388.db2.gz MQHKVNLMGMQZLE-NEPJUHHUSA-N 0 1 358.406 0.768 20 30 FCEDMN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575649377 1272258067 /nfs/dbraw/zinc/25/80/67/1272258067.db2.gz HCRWVRJLZKQMQS-LLVKDONJSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575649377 1272258070 /nfs/dbraw/zinc/25/80/70/1272258070.db2.gz HCRWVRJLZKQMQS-LLVKDONJSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001575717385 1272363034 /nfs/dbraw/zinc/36/30/34/1272363034.db2.gz DHBBLISXSYPVIV-DGCLKSJQSA-N 0 1 356.390 0.109 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NCC#N)C1 ZINC001575833814 1272498935 /nfs/dbraw/zinc/49/89/35/1272498935.db2.gz CNVBTYHQSJVCOW-OAUYIBNBSA-N 0 1 372.404 0.957 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H](CNc1ccc(C#N)nc1)C1CC1 ZINC001575840213 1272511903 /nfs/dbraw/zinc/51/19/03/1272511903.db2.gz MSXRWQAEXFGVJM-ZBEGNZNMSA-N 0 1 355.402 0.983 20 30 FCEDMN C[C@]1(CNC(=O)CSCC#N)CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575979429 1272636013 /nfs/dbraw/zinc/63/60/13/1272636013.db2.gz KHKYUEYCDSCUKK-MRXNPFEDSA-N 0 1 364.475 0.739 20 30 FCEDMN C[C@]1(CNC(=O)CSCC#N)CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575979429 1272636022 /nfs/dbraw/zinc/63/60/22/1272636022.db2.gz KHKYUEYCDSCUKK-MRXNPFEDSA-N 0 1 364.475 0.739 20 30 FCEDMN C[C@@]1(CNc2ccc(C#N)nn2)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575988850 1272649547 /nfs/dbraw/zinc/64/95/47/1272649547.db2.gz YXLJPAZVUQFEBK-KRWDZBQOSA-N 0 1 370.417 0.724 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)CCN1C(=O)C#CC1CC1 ZINC001576025984 1272728541 /nfs/dbraw/zinc/72/85/41/1272728541.db2.gz JILSVJSYFIWORM-IUODEOHRSA-N 0 1 364.409 0.999 20 30 FCEDMN CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001576474416 1273309773 /nfs/dbraw/zinc/30/97/73/1273309773.db2.gz GNHUTCYBRLSMMW-HIFRSBDPSA-N 0 1 362.434 0.711 20 30 FCEDMN CCN(C(=O)C#CC(C)C)[C@H]1CCN([C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001576506157 1273375784 /nfs/dbraw/zinc/37/57/84/1273375784.db2.gz PUHPXHWSPIBAGB-ZBFHGGJFSA-N 0 1 360.462 0.392 20 30 FCEDMN CCN(CCCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H](C)OCc1c[nH]nn1 ZINC001576523825 1273412128 /nfs/dbraw/zinc/41/21/28/1273412128.db2.gz GZQGKBIBIZSGED-LBPRGKRZSA-N 0 1 373.417 0.578 20 30 FCEDMN CN(C(=O)CCOCc1c[nH]nn1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001576723220 1273590722 /nfs/dbraw/zinc/59/07/22/1273590722.db2.gz AXLSAGFIEFQGBB-ZDUSSCGKSA-N 0 1 366.447 0.027 20 30 FCEDMN CN(C(=O)CCCc1c[nH]nn1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001576719044 1273590936 /nfs/dbraw/zinc/59/09/36/1273590936.db2.gz MRXSXSJXFPDZEP-CQSZACIVSA-N 0 1 364.475 0.834 20 30 FCEDMN CN(C(=O)CCCc1cnn[nH]1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001576719044 1273590946 /nfs/dbraw/zinc/59/09/46/1273590946.db2.gz MRXSXSJXFPDZEP-CQSZACIVSA-N 0 1 364.475 0.834 20 30 FCEDMN C[C@H](CNC(=O)C1(Cc2c[nH]nn2)CCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001577193108 1274239786 /nfs/dbraw/zinc/23/97/86/1274239786.db2.gz USKFKKFQOORMKQ-LLVKDONJSA-N 0 1 355.402 0.652 20 30 FCEDMN C[C@H](CNC(=O)C1(Cc2cnn[nH]2)CCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001577193108 1274239791 /nfs/dbraw/zinc/23/97/91/1274239791.db2.gz USKFKKFQOORMKQ-LLVKDONJSA-N 0 1 355.402 0.652 20 30 FCEDMN Cc1cc(C#N)nc(NC[C@H]2CCCN2C(=O)[C@H](C)OCc2c[nH]nn2)n1 ZINC001577256073 1274283732 /nfs/dbraw/zinc/28/37/32/1274283732.db2.gz FGWBIUUCDQHPCI-SWLSCSKDSA-N 0 1 370.417 0.783 20 30 FCEDMN Cc1cc(NCCN(C)C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)c(C#N)cn1 ZINC001577342676 1274352123 /nfs/dbraw/zinc/35/21/23/1274352123.db2.gz BXWRCPJENSVSCI-KRWDZBQOSA-N 0 1 368.445 0.337 20 30 FCEDMN Cc1cc(N[C@H](C)CN(C)C(=O)CCOCc2c[nH]nn2)c(C#N)cn1 ZINC001577343943 1274353909 /nfs/dbraw/zinc/35/39/09/1274353909.db2.gz PYDRMPKGUCZWKI-CYBMUJFWSA-N 0 1 357.418 0.667 20 30 FCEDMN Cc1nnc(CN2CCC(N(Cc3c[nH]nn3)C(=O)[C@@H](C)C#N)CC2)o1 ZINC001577602446 1274572870 /nfs/dbraw/zinc/57/28/70/1274572870.db2.gz LEZPTLLLKIHQOG-NSHDSACASA-N 0 1 358.406 0.649 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)CCCc3c[nH]nn3)CC2)c1 ZINC001577709861 1274769849 /nfs/dbraw/zinc/76/98/49/1274769849.db2.gz GGWMIUCVXGWWBY-UHFFFAOYSA-N 0 1 355.402 0.702 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)CCCc3cnn[nH]3)CC2)c1 ZINC001577709861 1274769858 /nfs/dbraw/zinc/76/98/58/1274769858.db2.gz GGWMIUCVXGWWBY-UHFFFAOYSA-N 0 1 355.402 0.702 20 30 FCEDMN N#CCSCC(=O)N[C@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001577709890 1274770247 /nfs/dbraw/zinc/77/02/47/1274770247.db2.gz GWPTVDSAOPXXHT-AWEZNQCLSA-N 0 1 364.475 0.881 20 30 FCEDMN N#Cc1c(Br)cccc1OCC(=O)N[C@H](CO)c1c[nH]nn1 ZINC001577710286 1274772532 /nfs/dbraw/zinc/77/25/32/1274772532.db2.gz WDANCUGCDYNOPO-LLVKDONJSA-N 0 1 366.175 0.667 20 30 FCEDMN N#Cc1ccc(NC[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)nc1 ZINC001577715067 1274773920 /nfs/dbraw/zinc/77/39/20/1274773920.db2.gz IGKNMUAIPMNKCJ-CQSZACIVSA-N 0 1 355.402 0.939 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCCCc2cn[nH]n2)[nH]1 ZINC001577712514 1274774306 /nfs/dbraw/zinc/77/43/06/1274774306.db2.gz PQADAAUTQRZPMH-AWEZNQCLSA-N 0 1 355.402 0.748 20 30 FCEDMN N#Cc1ccc(N2CCCN(C(=O)CCOCc3c[nH]nn3)CC2)nn1 ZINC001577715729 1274776401 /nfs/dbraw/zinc/77/64/01/1274776401.db2.gz VBJISJBMVBVUOZ-UHFFFAOYSA-N 0 1 356.390 0.112 20 30 FCEDMN N#Cc1cccnc1N1CCC[C@H]1CNC(=O)CCOCc1c[nH]nn1 ZINC001577717296 1274776456 /nfs/dbraw/zinc/77/64/56/1274776456.db2.gz AEKYYJGQHVUDRN-HNNXBMFYSA-N 0 1 355.402 0.763 20 30 FCEDMN N#Cc1cccnc1N1C[C@@H]2[C@@H](CNC(=O)CCCc3c[nH]nn3)[C@@H]2C1 ZINC001577718119 1274779358 /nfs/dbraw/zinc/77/93/58/1274779358.db2.gz WYWIEMXXESHOQJ-PHZGNYQRSA-N 0 1 351.414 0.893 20 30 FCEDMN N#Cc1cccnc1N1C[C@@H]2[C@@H](CNC(=O)CCCc3cnn[nH]3)[C@@H]2C1 ZINC001577718119 1274779369 /nfs/dbraw/zinc/77/93/69/1274779369.db2.gz WYWIEMXXESHOQJ-PHZGNYQRSA-N 0 1 351.414 0.893 20 30 FCEDMN N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cncc(-c3cn[nH]n3)c2)cn1 ZINC001577719254 1274781590 /nfs/dbraw/zinc/78/15/90/1274781590.db2.gz NJMNUSGURHDCQA-HALDLXJZSA-N 0 1 373.380 0.393 20 30 FCEDMN N#Cc1cncc(N2CCN(C(=O)CCCCCc3cn[nH]n3)CC2)n1 ZINC001577719067 1274782751 /nfs/dbraw/zinc/78/27/51/1274782751.db2.gz HGIFXFZUMHOZGN-UHFFFAOYSA-N 0 1 354.418 0.918 20 30 FCEDMN N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)CCOCc3c[nH]nn3)C2)cn1 ZINC001577719271 1274782865 /nfs/dbraw/zinc/78/28/65/1274782865.db2.gz ODLRGUZAXQCALP-TXEJJXNPSA-N 0 1 356.390 0.380 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C[C@H]1O ZINC001577746403 1274822782 /nfs/dbraw/zinc/82/27/82/1274822782.db2.gz YKQJGYKCDRPTSK-DLBZAZTESA-N 0 1 373.457 0.399 20 30 FCEDMN O=C(CC#Cc1ccccc1)NC[C@@H]1CN(Cc2c[nH]nn2)CCCO1 ZINC001577766754 1274851300 /nfs/dbraw/zinc/85/13/00/1274851300.db2.gz ZJYWMXKQZIURDQ-GOSISDBHSA-N 0 1 353.426 0.954 20 30 FCEDMN CCOC(=O)c1c(C)ccnc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001578252247 1275553815 /nfs/dbraw/zinc/55/38/15/1275553815.db2.gz QLLSOTKLILYRJR-UHFFFAOYSA-N 0 1 353.346 0.446 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001579950383 1277976528 /nfs/dbraw/zinc/97/65/28/1277976528.db2.gz VIUXAIBAGUNGJA-LALPHHSUSA-N 0 1 369.429 0.971 20 30 FCEDMN N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CC(F)(F)CN)C1 ZINC001580041158 1277997325 /nfs/dbraw/zinc/99/73/25/1277997325.db2.gz WBEYLSNYGVBTNS-CYBMUJFWSA-N 0 1 352.324 0.771 20 30 FCEDMN CC(C)C#CC(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001603189611 1287326474 /nfs/dbraw/zinc/32/64/74/1287326474.db2.gz QAUOOYRRFZFTQP-UHFFFAOYSA-N 0 1 368.445 0.779 20 30 FCEDMN Cc1cc(N(C)CCNC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949315 1279155573 /nfs/dbraw/zinc/15/55/73/1279155573.db2.gz UASZWDIFTWNXPI-UHFFFAOYSA-N 0 1 351.374 0.636 20 30 FCEDMN Cc1cc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974714 1279174545 /nfs/dbraw/zinc/17/45/45/1279174545.db2.gz RDFKVBVWETXYOK-ITDIGPHOSA-N 0 1 352.402 0.767 20 30 FCEDMN Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580989564 1279190322 /nfs/dbraw/zinc/19/03/22/1279190322.db2.gz ONICBEIWLYIVCJ-GHMZBOCLSA-N 0 1 365.401 0.811 20 30 FCEDMN Cc1cc(NC2(CNC(=O)[C@@H](C)C#N)CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998899 1279214170 /nfs/dbraw/zinc/21/41/70/1279214170.db2.gz UCVSGPCLLKDVBA-NSHDSACASA-N 0 1 354.418 0.993 20 30 FCEDMN Cc1cc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003951 1279221090 /nfs/dbraw/zinc/22/10/90/1279221090.db2.gz IJWSJKXISIOTQM-SWLSCSKDSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1cc(NC2CC3(CC(NC(=O)[C@H](C)C#N)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003231 1279221101 /nfs/dbraw/zinc/22/11/01/1279221101.db2.gz KYAFPVDRMNEGLR-IHUQTEBDSA-N 0 1 366.429 0.991 20 30 FCEDMN Cc1cc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581012326 1279238816 /nfs/dbraw/zinc/23/88/16/1279238816.db2.gz UOXISERIGMOERE-LLVKDONJSA-N 0 1 365.401 0.764 20 30 FCEDMN Cn1nccc1[C@H](O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001581837611 1280590721 /nfs/dbraw/zinc/59/07/21/1280590721.db2.gz RKOZIZFKKSBMPR-OAHLLOKOSA-N 0 1 366.389 0.212 20 30 FCEDMN N#CC1(C[C@@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC001581857145 1280607498 /nfs/dbraw/zinc/60/74/98/1280607498.db2.gz QTWKFLCOJJHCGQ-CQSZACIVSA-N 0 1 354.418 0.438 20 30 FCEDMN N#CC1(C[C@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC001581857144 1280608662 /nfs/dbraw/zinc/60/86/62/1280608662.db2.gz QTWKFLCOJJHCGQ-AWEZNQCLSA-N 0 1 354.418 0.438 20 30 FCEDMN N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c[nH]1 ZINC001581864171 1280616658 /nfs/dbraw/zinc/61/66/58/1280616658.db2.gz JNNQTBFOFCATTN-CYBMUJFWSA-N 0 1 363.385 0.600 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001581865224 1280618656 /nfs/dbraw/zinc/61/86/56/1280618656.db2.gz GBQKHPWJWSHOCH-JTQLQIEISA-N 0 1 364.373 0.113 20 30 FCEDMN N#Cc1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)[nH]1 ZINC001581867407 1280622910 /nfs/dbraw/zinc/62/29/10/1280622910.db2.gz HAZSWDREKGKOIK-UHFFFAOYSA-N 0 1 364.373 0.043 20 30 FCEDMN N#Cc1ncc(N2CCC(c3nncn3C3CC3)CC2)nc1-c1nn[nH]n1 ZINC001581882426 1280643682 /nfs/dbraw/zinc/64/36/82/1280643682.db2.gz YFSXDAJSOQFSHK-UHFFFAOYSA-N 0 1 363.389 0.839 20 30 FCEDMN N#Cc1ncc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)nc1-c1nn[nH]n1 ZINC001581882776 1280643713 /nfs/dbraw/zinc/64/37/13/1280643713.db2.gz HBVSAYVEXUWPBI-FZMZJTMJSA-N 0 1 372.776 0.688 20 30 FCEDMN N#Cc1ncc(N2CCC(C(=O)N3CCCC3)CC2)nc1-c1nn[nH]n1 ZINC001581882329 1280643821 /nfs/dbraw/zinc/64/38/21/1280643821.db2.gz UJVNHHZQTACCCY-UHFFFAOYSA-N 0 1 353.390 0.367 20 30 FCEDMN N#Cc1ncc(NC[C@@H](O)COc2ccc(F)c(F)c2)nc1-c1nn[nH]n1 ZINC001581882892 1280644770 /nfs/dbraw/zinc/64/47/70/1280644770.db2.gz KVTOTGIRXHDGGK-MRVPVSSYSA-N 0 1 374.311 0.658 20 30 FCEDMN N#Cc1ncc(N2CCn3c(Br)cnc3C2)nc1-c1nn[nH]n1 ZINC001581882786 1280645456 /nfs/dbraw/zinc/64/54/56/1280645456.db2.gz HILCOAAIPCRENG-UHFFFAOYSA-N 0 1 373.178 0.508 20 30 FCEDMN N#Cc1ncc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)nc1-c1nn[nH]n1 ZINC001581883398 1280648311 /nfs/dbraw/zinc/64/83/11/1280648311.db2.gz YKLSFYWUYMWMFI-JQWIXIFHSA-N 0 1 368.357 0.450 20 30 FCEDMN N#Cc1ncn(CCNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)n1 ZINC001581885961 1280652474 /nfs/dbraw/zinc/65/24/74/1280652474.db2.gz SMJGWEJMSZHCLA-UHFFFAOYSA-N 0 1 365.770 0.261 20 30 FCEDMN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001603913971 1287530287 /nfs/dbraw/zinc/53/02/87/1287530287.db2.gz QWGVFJMLPQBTDT-HIFRSBDPSA-N 0 1 365.441 0.994 20 30 FCEDMN C#CCC1(C(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001588335136 1282426808 /nfs/dbraw/zinc/42/68/08/1282426808.db2.gz ZGIIQRQZHHXMOB-UHFFFAOYSA-N 0 1 368.445 0.923 20 30 FCEDMN C#CCC1(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CCOCC1 ZINC001588334750 1282427864 /nfs/dbraw/zinc/42/78/64/1282427864.db2.gz JNLWWUXEYPBATG-UHFFFAOYSA-N 0 1 374.426 0.992 20 30 FCEDMN C#CCCCC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588340397 1282434721 /nfs/dbraw/zinc/43/47/21/1282434721.db2.gz OGWCPNQTSVPLJJ-MRVPVSSYSA-N 0 1 369.838 0.669 20 30 FCEDMN C#CCCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588342661 1282439083 /nfs/dbraw/zinc/43/90/83/1282439083.db2.gz PFEYRXZIRJLMCC-CHWSQXEVSA-N 0 1 354.418 0.791 20 30 FCEDMN C#CCCN1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001588347810 1282442699 /nfs/dbraw/zinc/44/26/99/1282442699.db2.gz YZSTYUZUTBABLG-UHFFFAOYSA-N 0 1 369.429 0.525 20 30 FCEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001588349354 1282443461 /nfs/dbraw/zinc/44/34/61/1282443461.db2.gz ATLUDSYMJGQRGW-UHFFFAOYSA-N 0 1 360.443 0.585 20 30 FCEDMN C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CCCOCC ZINC001588350671 1282444553 /nfs/dbraw/zinc/44/45/53/1282444553.db2.gz KRVOFONFIAQBTE-UHFFFAOYSA-N 0 1 370.421 0.734 20 30 FCEDMN C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@@H]1CCCCO1 ZINC001588349980 1282444737 /nfs/dbraw/zinc/44/47/37/1282444737.db2.gz WUNARCGYTMZLJK-NSHDSACASA-N 0 1 368.405 0.487 20 30 FCEDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001635960573 1282445558 /nfs/dbraw/zinc/44/55/58/1282445558.db2.gz KBWBXZMGQNAEJN-MRXNPFEDSA-N 0 1 364.365 0.981 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588356189 1282456631 /nfs/dbraw/zinc/45/66/31/1282456631.db2.gz AGLJXEXFUQIITO-UPJWGTAASA-N 0 1 355.402 0.029 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588356140 1282456752 /nfs/dbraw/zinc/45/67/52/1282456752.db2.gz TZZWJUWTCYFUIQ-KBPBESRZSA-N 0 1 369.429 0.775 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001588356686 1282461339 /nfs/dbraw/zinc/46/13/39/1282461339.db2.gz DTRZPJSDBNMSFZ-MRVPVSSYSA-N 0 1 369.838 0.933 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588357319 1282464521 /nfs/dbraw/zinc/46/45/21/1282464521.db2.gz LEBGQAFCLLNOBM-CQSZACIVSA-N 0 1 371.445 0.941 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1 ZINC001588357562 1282467356 /nfs/dbraw/zinc/46/73/56/1282467356.db2.gz LMVFCVWMKGYIPI-CYBMUJFWSA-N 0 1 371.445 0.618 20 30 FCEDMN C#CCOCCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001588358749 1282470535 /nfs/dbraw/zinc/47/05/35/1282470535.db2.gz AKNUNWVDDXCMFH-UHFFFAOYSA-N 0 1 369.429 0.564 20 30 FCEDMN C#CCOCCC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588360054 1282476279 /nfs/dbraw/zinc/47/62/79/1282476279.db2.gz GXAFZMWYCDTMAB-UHFFFAOYSA-N 0 1 355.402 0.125 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588360992 1282480971 /nfs/dbraw/zinc/48/09/71/1282480971.db2.gz AIZCGJFETAGTMU-LBPRGKRZSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588360992 1282480979 /nfs/dbraw/zinc/48/09/79/1282480979.db2.gz AIZCGJFETAGTMU-LBPRGKRZSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588361847 1282483891 /nfs/dbraw/zinc/48/38/91/1282483891.db2.gz UAOAMXFOKBYSGG-STQMWFEESA-N 0 1 370.417 0.170 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588362785 1282488474 /nfs/dbraw/zinc/48/84/74/1282488474.db2.gz SVHPGLRZGNQJJS-UONOGXRCSA-N 0 1 369.429 0.420 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCCNc2ccncc2-c2nn[nH]n2)nc1 ZINC001588364887 1282492294 /nfs/dbraw/zinc/49/22/94/1282492294.db2.gz KMIWLMLQCVKTHN-UHFFFAOYSA-N 0 1 362.397 0.634 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001588371332 1282493446 /nfs/dbraw/zinc/49/34/46/1282493446.db2.gz CWONVXPSIOHWCJ-LBPRGKRZSA-N 0 1 362.397 0.680 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001588380473 1282495990 /nfs/dbraw/zinc/49/59/90/1282495990.db2.gz GCIRTMRMRLKGCS-HNNXBMFYSA-N 0 1 374.408 0.955 20 30 FCEDMN C=C(C)C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C(=O)OCC ZINC001588409030 1282503470 /nfs/dbraw/zinc/50/34/70/1282503470.db2.gz ABVGWMLOTUULKZ-SNVBAGLBSA-N 0 1 366.403 0.438 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588499540 1282527864 /nfs/dbraw/zinc/52/78/64/1282527864.db2.gz JJNCIUZIMBQMGP-UGSOOPFHSA-N 0 1 371.445 0.874 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001588501091 1282534362 /nfs/dbraw/zinc/53/43/62/1282534362.db2.gz JJEXVOYUKNIKAN-SJCJKPOMSA-N 0 1 374.449 0.349 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001588501678 1282536829 /nfs/dbraw/zinc/53/68/29/1282536829.db2.gz NYEUEADGZUUBRV-JKDFXYPNSA-N 0 1 370.417 0.021 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588502517 1282539807 /nfs/dbraw/zinc/53/98/07/1282539807.db2.gz SPIQOWVHFMWOEV-GTNSWQLSSA-N 0 1 359.434 0.626 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588503232 1282541737 /nfs/dbraw/zinc/54/17/37/1282541737.db2.gz XNYVWOBBAKMNTB-QGZVFWFLSA-N 0 1 357.418 0.546 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588505932 1282547849 /nfs/dbraw/zinc/54/78/49/1282547849.db2.gz ZPTRSXGYTHJMBD-QGZVFWFLSA-N 0 1 359.434 0.840 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1CC ZINC001588507940 1282550040 /nfs/dbraw/zinc/55/00/40/1282550040.db2.gz MUMZJQUTPSHLEU-JKDFXYPNSA-N 0 1 372.433 0.457 20 30 FCEDMN C=CCC(C)(C)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001588532323 1282562493 /nfs/dbraw/zinc/56/24/93/1282562493.db2.gz SAAJCPOVFCMGGM-UHFFFAOYSA-N 0 1 359.434 0.519 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001588552484 1282565793 /nfs/dbraw/zinc/56/57/93/1282565793.db2.gz XYVXDCQMPCIBLJ-LBPRGKRZSA-N 0 1 356.434 0.989 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001588552208 1282566146 /nfs/dbraw/zinc/56/61/46/1282566146.db2.gz RXCNJNSNZKMPGG-GFCCVEGCSA-N 0 1 372.433 0.368 20 30 FCEDMN C=CCCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001588571313 1282570559 /nfs/dbraw/zinc/57/05/59/1282570559.db2.gz JFFBVNTVGXLKRR-UHFFFAOYSA-N 0 1 357.418 0.727 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001588590507 1282579079 /nfs/dbraw/zinc/57/90/79/1282579079.db2.gz PUPZIXUYLFKEJV-HZPDHXFCSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588608804 1282585515 /nfs/dbraw/zinc/58/55/15/1282585515.db2.gz QTSKHDMPLJXVTG-CHWSQXEVSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609439 1282586338 /nfs/dbraw/zinc/58/63/38/1282586338.db2.gz XETIXCGYSBXDGU-OLZOCXBDSA-N 0 1 372.433 0.675 20 30 FCEDMN C=CCCOCC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588616504 1282595002 /nfs/dbraw/zinc/59/50/02/1282595002.db2.gz HYBQZNSFFLOYRL-UHFFFAOYSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCCOCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588616842 1282599428 /nfs/dbraw/zinc/59/94/28/1282599428.db2.gz NNMURUUKHIOLOH-OLZOCXBDSA-N 0 1 359.434 0.890 20 30 FCEDMN C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC001588658606 1282611784 /nfs/dbraw/zinc/61/17/84/1282611784.db2.gz BYYDSCIPQRMKTI-DGCLKSJQSA-N 0 1 372.433 0.080 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001588666149 1282618854 /nfs/dbraw/zinc/61/88/54/1282618854.db2.gz AZVVMUFUOMISBV-OCCSQVGLSA-N 0 1 357.418 0.535 20 30 FCEDMN C=CCOCCCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588680698 1282638562 /nfs/dbraw/zinc/63/85/62/1282638562.db2.gz AKLJBXOLIZSKJA-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CC[S@@](=O)(=NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001588688559 1282649551 /nfs/dbraw/zinc/64/95/51/1282649551.db2.gz JRWSUFJQTXDKBX-VWLOTQADSA-N 0 1 358.387 0.698 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nnn[n-]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001588700626 1282651707 /nfs/dbraw/zinc/65/17/07/1282651707.db2.gz VLLOCZFQUYUOTA-LLVKDONJSA-N 0 1 369.437 0.565 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCSC[C@H]1C ZINC001588709784 1282657133 /nfs/dbraw/zinc/65/71/33/1282657133.db2.gz VWKGEEFIRPQPNI-SNVBAGLBSA-N 0 1 373.450 0.226 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)CC1CCCC1 ZINC001588709965 1282657792 /nfs/dbraw/zinc/65/77/92/1282657792.db2.gz YZKMUJDPYXEHAJ-UHFFFAOYSA-N 0 1 369.437 0.910 20 30 FCEDMN C=CCn1cc(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)nn1 ZINC001588711630 1282658633 /nfs/dbraw/zinc/65/86/33/1282658633.db2.gz UHNSSHRSZSSBEX-UHFFFAOYSA-N 0 1 368.405 0.248 20 30 FCEDMN C=CCn1cc(C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)nn1 ZINC001588713392 1282660835 /nfs/dbraw/zinc/66/08/35/1282660835.db2.gz KWFWQHCAFQACRI-UHFFFAOYSA-N 0 1 368.405 0.214 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588722123 1282668060 /nfs/dbraw/zinc/66/80/60/1282668060.db2.gz UEXPDSHFWBRGIX-ZOWXZIJZSA-N 0 1 357.418 0.794 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588723287 1282672594 /nfs/dbraw/zinc/67/25/94/1282672594.db2.gz KKJAUWDCKMXYPW-OLZOCXBDSA-N 0 1 372.433 0.580 20 30 FCEDMN CC#CCCCC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588738794 1282679201 /nfs/dbraw/zinc/67/92/01/1282679201.db2.gz RZRRHWYWGIXTTP-ZDUSSCGKSA-N 0 1 357.418 0.108 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588737362 1282680203 /nfs/dbraw/zinc/68/02/03/1282680203.db2.gz LFJFGFSZXRJMPB-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588743716 1282682928 /nfs/dbraw/zinc/68/29/28/1282682928.db2.gz JOOVUJOQVFOOEU-GDBMZVCRSA-N 0 1 369.429 0.429 20 30 FCEDMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001588926635 1282729288 /nfs/dbraw/zinc/72/92/88/1282729288.db2.gz KAPHYCALIVPSIN-NWDGAFQWSA-N 0 1 354.418 0.882 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588926634 1282730767 /nfs/dbraw/zinc/73/07/67/1282730767.db2.gz KAPHYCALIVPSIN-NEPJUHHUSA-N 0 1 354.418 0.882 20 30 FCEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001589187054 1282814144 /nfs/dbraw/zinc/81/41/44/1282814144.db2.gz OMUHUZISBNTYER-DTORHVGOSA-N 0 1 357.378 0.996 20 30 FCEDMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CSCC#N ZINC001590175979 1283282891 /nfs/dbraw/zinc/28/28/91/1283282891.db2.gz YVFQNEAEKSOENK-CMPLNLGQSA-N 0 1 358.431 0.342 20 30 FCEDMN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590264747 1283387954 /nfs/dbraw/zinc/38/79/54/1283387954.db2.gz BHKIHGJUKBPWED-GXTWGEPZSA-N 0 1 366.429 0.389 20 30 FCEDMN CC[C@@H](CC#N)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590419121 1283532925 /nfs/dbraw/zinc/53/29/25/1283532925.db2.gz CXBUIYAHMRCNRX-QMMMGPOBSA-N 0 1 351.348 0.745 20 30 FCEDMN CN(C(=O)C#CC1CC1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001590972166 1284033968 /nfs/dbraw/zinc/03/39/68/1284033968.db2.gz NIBUDHKOMCWOML-UHFFFAOYSA-N 0 1 366.429 0.674 20 30 FCEDMN CN(Cc1cccc(C#N)c1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591146242 1284216582 /nfs/dbraw/zinc/21/65/82/1284216582.db2.gz PSCQFYGYIGJXLW-UHFFFAOYSA-N 0 1 352.362 0.171 20 30 FCEDMN CN(Cc1cnn(-c2ccccc2)n1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001591152296 1284223193 /nfs/dbraw/zinc/22/31/93/1284223193.db2.gz ROEKTFXLRCCAMF-UHFFFAOYSA-N 0 1 359.357 0.745 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001591363004 1284499306 /nfs/dbraw/zinc/49/93/06/1284499306.db2.gz YPTBLXJZKXPCRJ-JSGCOSHPSA-N 0 1 357.418 0.427 20 30 FCEDMN COc1ccccc1CN(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001591652734 1284782240 /nfs/dbraw/zinc/78/22/40/1284782240.db2.gz DGLNYYVLSVYMIX-UHFFFAOYSA-N 0 1 367.373 0.184 20 30 FCEDMN Cc1cc(NC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592042955 1285084009 /nfs/dbraw/zinc/08/40/09/1285084009.db2.gz SCYXYEBBCJIEHM-APPDUMDISA-N 0 1 354.418 0.802 20 30 FCEDMN Cc1cc(NCCCN(C)C(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001592048242 1285093225 /nfs/dbraw/zinc/09/32/25/1285093225.db2.gz XVVQJGBTZGCCLU-UHFFFAOYSA-N 0 1 360.447 0.509 20 30 FCEDMN Cc1cc(N[C@@H]2CN(C(=O)CSCC#N)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592054917 1285097136 /nfs/dbraw/zinc/09/71/36/1285097136.db2.gz LKYOLTHGSKPAJK-QMTHXVAHSA-N 0 1 372.458 0.508 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001592334659 1285244108 /nfs/dbraw/zinc/24/41/08/1285244108.db2.gz DBLRXUJPWDQIEP-GFCCVEGCSA-N 0 1 364.369 0.883 20 30 FCEDMN Cc1ncc(S(=O)(=O)Oc2ccc(F)nc2-c2nn[nH]n2)cc1C#N ZINC001592412025 1285326958 /nfs/dbraw/zinc/32/69/58/1285326958.db2.gz AOWLIYWOFPBZLF-UHFFFAOYSA-N 0 1 361.318 0.744 20 30 FCEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001604789329 1287782690 /nfs/dbraw/zinc/78/26/90/1287782690.db2.gz UJTBIWTYYUIRJS-CQSZACIVSA-N 0 1 372.425 0.224 20 30 FCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001604789329 1287782692 /nfs/dbraw/zinc/78/26/92/1287782692.db2.gz UJTBIWTYYUIRJS-CQSZACIVSA-N 0 1 372.425 0.224 20 30 FCEDMN N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001592676935 1285569460 /nfs/dbraw/zinc/56/94/60/1285569460.db2.gz KQUNTNNFQWYTQB-UHFFFAOYSA-N 0 1 359.371 0.959 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592679376 1285575915 /nfs/dbraw/zinc/57/59/15/1285575915.db2.gz OTPJUCBRFQIZHH-VXGBXAGGSA-N 0 1 372.458 0.637 20 30 FCEDMN N#CCSCC(=O)NCCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001592679635 1285579077 /nfs/dbraw/zinc/57/90/77/1285579077.db2.gz XDDFKXXXIYFQPU-UHFFFAOYSA-N 0 1 358.840 0.761 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1Cc1ccc(CN2CCOCC2)cc1 ZINC001592684023 1285581538 /nfs/dbraw/zinc/58/15/38/1285581538.db2.gz BTTCECOQFXTLOV-UHFFFAOYSA-N 0 1 350.386 0.815 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCS(=O)(=O)c1ccccc1 ZINC001592683849 1285582149 /nfs/dbraw/zinc/58/21/49/1285582149.db2.gz CEOYJBPJWGBWRW-UHFFFAOYSA-N 0 1 358.387 0.381 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC001592684102 1285583902 /nfs/dbraw/zinc/58/39/02/1285583902.db2.gz NQNLVDGZQCFERQ-UHFFFAOYSA-N 0 1 368.748 0.227 20 30 FCEDMN N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C2 ZINC001592697886 1285587969 /nfs/dbraw/zinc/58/79/69/1285587969.db2.gz WRLWTGUMQUUDRR-ZDUSSCGKSA-N 0 1 367.394 0.579 20 30 FCEDMN N#Cc1cccc(-c2nn[nH]n2)c1NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001592699547 1285588238 /nfs/dbraw/zinc/58/82/38/1285588238.db2.gz DSATXQOHBHLWJR-SUMWQHHRSA-N 0 1 355.402 0.376 20 30 FCEDMN C[N@@H+](CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)Cc1ccccc1 ZINC001597459873 1286346471 /nfs/dbraw/zinc/34/64/71/1286346471.db2.gz OGMMYXHPRNZSMP-UHFFFAOYSA-N 0 1 355.398 0.459 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c(C(=O)[O-])c1 ZINC001601111667 1286636806 /nfs/dbraw/zinc/63/68/06/1286636806.db2.gz LBYZMTIGBXXFED-CYBMUJFWSA-N 0 1 367.427 0.382 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C(=O)[O-])c1 ZINC001601111667 1286636813 /nfs/dbraw/zinc/63/68/13/1286636813.db2.gz LBYZMTIGBXXFED-CYBMUJFWSA-N 0 1 367.427 0.382 20 30 FCEDMN COc1ccc(OC)c(NC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001609359161 1289117832 /nfs/dbraw/zinc/11/78/32/1289117832.db2.gz ZWKMXTGBWIIPOE-UHFFFAOYSA-N 0 1 369.345 0.173 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602724200 1287082101 /nfs/dbraw/zinc/08/21/01/1287082101.db2.gz BWKYBFFVBPKACI-STQMWFEESA-N 0 1 357.418 0.337 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602726974 1287091276 /nfs/dbraw/zinc/09/12/76/1287091276.db2.gz UWQUOFZHVRSOSW-UONOGXRCSA-N 0 1 369.429 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001602737459 1287099042 /nfs/dbraw/zinc/09/90/42/1287099042.db2.gz RZFIKFRYNKIEKB-WDEREUQCSA-N 0 1 363.385 0.074 20 30 FCEDMN C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001602739791 1287100956 /nfs/dbraw/zinc/10/09/56/1287100956.db2.gz OSFUOKHMHKSRCJ-LBPRGKRZSA-N 0 1 362.397 0.680 20 30 FCEDMN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602756369 1287104846 /nfs/dbraw/zinc/10/48/46/1287104846.db2.gz MAHSYAOFKXXSOA-XHDPSFHLSA-N 0 1 372.433 0.071 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001602753283 1287105804 /nfs/dbraw/zinc/10/58/04/1287105804.db2.gz NKOOFNQIVZRXQZ-JHJVBQTASA-N 0 1 372.433 0.509 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602769783 1287108408 /nfs/dbraw/zinc/10/84/08/1287108408.db2.gz LDDRVELMWPAASV-JSGCOSHPSA-N 0 1 370.417 0.287 20 30 FCEDMN C=C1CCC(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001602775639 1287110560 /nfs/dbraw/zinc/11/05/60/1287110560.db2.gz PMTCHKICXKSNNC-UHFFFAOYSA-N 0 1 354.418 0.886 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602782477 1287112476 /nfs/dbraw/zinc/11/24/76/1287112476.db2.gz AUUXWFKIVWMLQU-GFCCVEGCSA-N 0 1 357.418 0.535 20 30 FCEDMN C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001602780131 1287112924 /nfs/dbraw/zinc/11/29/24/1287112924.db2.gz JEMVQYOPAQBNQK-NSHDSACASA-N 0 1 360.422 0.124 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001602791763 1287116895 /nfs/dbraw/zinc/11/68/95/1287116895.db2.gz APKNOXALUVPPIQ-RHPZDQPFSA-N 0 1 370.417 0.210 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602795651 1287120905 /nfs/dbraw/zinc/12/09/05/1287120905.db2.gz URMPBQDAKOATNN-SJKOYZFVSA-N 0 1 372.433 0.055 20 30 FCEDMN C=CCCCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001602834241 1287128023 /nfs/dbraw/zinc/12/80/23/1287128023.db2.gz MAPCEPAHSXSAMG-LBPRGKRZSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCOCCCC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001602869394 1287144466 /nfs/dbraw/zinc/14/44/66/1287144466.db2.gz CPYNDRHBRLMZJX-CYBMUJFWSA-N 0 1 372.433 0.725 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001602892755 1287151263 /nfs/dbraw/zinc/15/12/63/1287151263.db2.gz YAULJZQWSSJPCF-ZSOGYDGISA-N 0 1 366.429 0.649 20 30 FCEDMN C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001602901977 1287154326 /nfs/dbraw/zinc/15/43/26/1287154326.db2.gz JAQYWGUCILCTOR-BYCMXARLSA-N 0 1 361.398 0.893 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602984314 1287174217 /nfs/dbraw/zinc/17/42/17/1287174217.db2.gz WRNBAOKMROOBDM-BDJLRTHQSA-N 0 1 355.406 0.539 20 30 FCEDMN COC(=O)C(C)(C)[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001604900787 1287811151 /nfs/dbraw/zinc/81/11/51/1287811151.db2.gz IMKWCKYUFQPOJP-JTQLQIEISA-N 0 1 356.390 0.944 20 30 FCEDMN COC(=O)C(C)(C)[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001604900788 1287811258 /nfs/dbraw/zinc/81/12/58/1287811258.db2.gz IMKWCKYUFQPOJP-SNVBAGLBSA-N 0 1 356.390 0.944 20 30 FCEDMN CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001605526716 1287990678 /nfs/dbraw/zinc/99/06/78/1287990678.db2.gz RCGVZFTWQLSJDD-CYBMUJFWSA-N 0 1 351.403 0.478 20 30 FCEDMN Cc1cccc(C)c1-n1nnnc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001609430589 1289147065 /nfs/dbraw/zinc/14/70/65/1289147065.db2.gz DXAWQJFVTNHXNV-UHFFFAOYSA-N 0 1 362.361 0.158 20 30 FCEDMN Cc1cc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605688190 1288051946 /nfs/dbraw/zinc/05/19/46/1288051946.db2.gz KFQZQDNGZMDZNE-UHFFFAOYSA-N 0 1 351.374 0.636 20 30 FCEDMN N#CCOc1cccc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)c1 ZINC001606351227 1288267991 /nfs/dbraw/zinc/26/79/91/1288267991.db2.gz QGZFNMZMXCZNSY-UHFFFAOYSA-N 0 1 360.355 0.841 20 30 FCEDMN N#Cc1cccc(C2(NC(=O)NCCn3cnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001606379927 1288279528 /nfs/dbraw/zinc/27/95/28/1288279528.db2.gz HWFTWAQQQMUULI-UHFFFAOYSA-N 0 1 364.373 0.318 20 30 FCEDMN Cc1n[nH]c(CCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)n1 ZINC001725451554 1288468854 /nfs/dbraw/zinc/46/88/54/1288468854.db2.gz BIISUNYXEWHKEB-CYBMUJFWSA-N 0 1 367.417 0.682 20 30 FCEDMN Cc1nnc(CCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)[nH]1 ZINC001725451554 1288468860 /nfs/dbraw/zinc/46/88/60/1288468860.db2.gz BIISUNYXEWHKEB-CYBMUJFWSA-N 0 1 367.417 0.682 20 30 FCEDMN C#CCC[C@@H](O)CNC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001609019763 1288882664 /nfs/dbraw/zinc/88/26/64/1288882664.db2.gz FZDRJBADKNBFTR-CYBMUJFWSA-N 0 1 373.417 0.270 20 30 FCEDMN C=CCN(C(=O)c1ccc(-c2nn[nH]n2)c(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC001609055977 1288890653 /nfs/dbraw/zinc/89/06/53/1288890653.db2.gz IRGLAKINZNUGCE-NSHDSACASA-N 0 1 363.399 0.388 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001609868692 1289320190 /nfs/dbraw/zinc/32/01/90/1289320190.db2.gz RVLCCWBIDVORBZ-ZDUSSCGKSA-N 0 1 374.397 0.535 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001609868692 1289320197 /nfs/dbraw/zinc/32/01/97/1289320197.db2.gz RVLCCWBIDVORBZ-ZDUSSCGKSA-N 0 1 374.397 0.535 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1cnn(C)c1 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1201341703 /nfs/dbraw/zinc/34/17/03/1201341703.db2.gz FNILIRKBKZJGDU-CABCVRRESA-N 0 1 361.450 0.182 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129540767 1201345571 /nfs/dbraw/zinc/34/55/71/1201345571.db2.gz CMUFLLRTIVYASD-CVEARBPZSA-N 0 1 360.462 0.502 20 30 FCEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129582331 1201351089 /nfs/dbraw/zinc/35/10/89/1201351089.db2.gz CBDPBDLKGMEFSJ-ZNMIVQPWSA-N 0 1 360.462 0.194 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)OCC(C)C)C[C@@H]1n1ccnn1 ZINC001129646801 1201366278 /nfs/dbraw/zinc/36/62/78/1201366278.db2.gz NRHUCQRMCMNGHE-ZACQAIPSSA-N 0 1 363.462 0.331 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](NCc2ccc(CO)cc2)[C@@H](n2ccnn2)C1 ZINC001129681002 1201368894 /nfs/dbraw/zinc/36/88/94/1201368894.db2.gz IZBHKURQNDXRPJ-MSOLQXFVSA-N 0 1 371.441 0.515 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1n1ccnn1 ZINC001129733507 1201380766 /nfs/dbraw/zinc/38/07/66/1201380766.db2.gz WUYJUBNSOOIMOE-SJORKVTESA-N 0 1 357.414 0.495 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129733079 1201381167 /nfs/dbraw/zinc/38/11/67/1201381167.db2.gz NLQBCEGZCDRGQC-BBWFWOEESA-N 0 1 361.446 0.229 20 30 FCEDMN CCc1[nH]ccc1C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129795732 1201391029 /nfs/dbraw/zinc/39/10/29/1201391029.db2.gz NSOPOFVITNLJCV-SJORKVTESA-N 0 1 356.430 0.474 20 30 FCEDMN CC(C)[C@@H](O)C(=O)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129795346 1201391292 /nfs/dbraw/zinc/39/12/92/1201391292.db2.gz GIZUPPJMLUKRLV-CEXWTWQISA-N 0 1 367.453 0.688 20 30 FCEDMN O=C(c1ncc[nH]1)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129816514 1201400501 /nfs/dbraw/zinc/40/05/01/1201400501.db2.gz DACHSZSCRSTBQB-SJORKVTESA-N 0 1 361.409 0.708 20 30 FCEDMN C[C@@H](N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129816835 1201400953 /nfs/dbraw/zinc/40/09/53/1201400953.db2.gz JTGHRYXUYCWVGX-KFWWJZLASA-N 0 1 360.462 0.146 20 30 FCEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)C1=O ZINC001129822174 1201401476 /nfs/dbraw/zinc/40/14/76/1201401476.db2.gz IRERRPNHCIDSEW-BBWFWOEESA-N 0 1 370.457 0.066 20 30 FCEDMN CCCCNC(=O)CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129824993 1201401927 /nfs/dbraw/zinc/40/19/27/1201401927.db2.gz JVRGGZDVBQTZJB-CVEARBPZSA-N 0 1 360.462 0.195 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@@H]2CCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129829470 1201402947 /nfs/dbraw/zinc/40/29/47/1201402947.db2.gz IQGKXQSDHKOCEQ-OAGGEKHMSA-N 0 1 358.446 0.044 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@@H]1n1ccnn1 ZINC001129855998 1201405768 /nfs/dbraw/zinc/40/57/68/1201405768.db2.gz ULPGYLIFZFXMRG-WBVHZDCISA-N 0 1 353.430 0.878 20 30 FCEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@@H]1n1ccnn1 ZINC001129833834 1201408682 /nfs/dbraw/zinc/40/86/82/1201408682.db2.gz GPXJANBIESCXDJ-XRQILJBCSA-N 0 1 358.446 0.114 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@@H]1n1ccnn1 ZINC001129833918 1201408731 /nfs/dbraw/zinc/40/87/31/1201408731.db2.gz IYRDZVGPWSWWMA-XRQILJBCSA-N 0 1 360.462 0.667 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](N[C@H](CCCC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129833608 1201409019 /nfs/dbraw/zinc/40/90/19/1201409019.db2.gz BRBNDAFKRDLNLW-OAGGEKHMSA-N 0 1 360.462 0.467 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129881651 1201412208 /nfs/dbraw/zinc/41/22/08/1201412208.db2.gz NJYNNVNBLKQKFQ-CVEARBPZSA-N 0 1 360.462 0.597 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@@H]1n1ccnn1 ZINC001129887739 1201413756 /nfs/dbraw/zinc/41/37/56/1201413756.db2.gz OFOKGDPFNOPNPB-WBVHZDCISA-N 0 1 353.430 0.568 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@@H]1n1ccnn1 ZINC001129910407 1201423496 /nfs/dbraw/zinc/42/34/96/1201423496.db2.gz RMUQNAGEYOJPIJ-CABCVRRESA-N 0 1 350.386 0.228 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129912384 1201423982 /nfs/dbraw/zinc/42/39/82/1201423982.db2.gz BZZWUWCLBHLTCH-SJORKVTESA-N 0 1 368.441 0.165 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1n1ccnn1 ZINC001129915063 1201426481 /nfs/dbraw/zinc/42/64/81/1201426481.db2.gz XAJWKEJMGZGJDA-CVEARBPZSA-N 0 1 352.398 0.056 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@@H]1n1ccnn1 ZINC001129894388 1201428796 /nfs/dbraw/zinc/42/87/96/1201428796.db2.gz DXFVNNDRBBDTHF-CVEARBPZSA-N 0 1 356.430 0.962 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@@H]1n1ccnn1 ZINC001129939691 1201438624 /nfs/dbraw/zinc/43/86/24/1201438624.db2.gz RRBVOBQPBOFCOJ-XQQFMLRXSA-N 0 1 370.404 0.213 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@@H]1n1ccnn1 ZINC001129919478 1201441519 /nfs/dbraw/zinc/44/15/19/1201441519.db2.gz XTBNCCPOIRZLQT-AEFFLSMTSA-N 0 1 363.425 0.843 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cccc3ncn(C)c32)C[C@@H]1n1ccnn1 ZINC001129920989 1201442550 /nfs/dbraw/zinc/44/25/50/1201442550.db2.gz JAHSKOYAXWRTRW-SJORKVTESA-N 0 1 363.425 0.843 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001129949117 1201447328 /nfs/dbraw/zinc/44/73/28/1201447328.db2.gz POVMKTWVKJKADW-CABCVRRESA-N 0 1 354.414 0.674 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1n1ccnn1 ZINC001129943433 1201454012 /nfs/dbraw/zinc/45/40/12/1201454012.db2.gz ZXACVONVVBLZCB-KGLIPLIRSA-N 0 1 364.425 0.062 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CC(=C)C)C[C@@H]1n1ccnn1 ZINC001129978192 1201460284 /nfs/dbraw/zinc/46/02/84/1201460284.db2.gz VFDPFZUYONUHBS-OAGGEKHMSA-N 0 1 360.462 0.524 20 30 FCEDMN C=C(C)C[C@H](C)C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129978006 1201460298 /nfs/dbraw/zinc/46/02/98/1201460298.db2.gz NQUMKRPKMMJTIT-XHSDSOJGSA-N 0 1 362.478 0.700 20 30 FCEDMN C=CCCC1(C(=O)N2C[C@@H](N[C@H]3CCNC3=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129999075 1201466814 /nfs/dbraw/zinc/46/68/14/1201466814.db2.gz JFUXERCYNABYHA-ZNMIVQPWSA-N 0 1 358.446 0.255 20 30 FCEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(C)(F)F)C[C@@H]1n1ccnn1 ZINC001130000883 1201467485 /nfs/dbraw/zinc/46/74/85/1201467485.db2.gz USLMGCCJNNMWGX-UPJWGTAASA-N 0 1 370.404 0.356 20 30 FCEDMN C=CCCCC(=O)N1C[C@@H](NCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129987050 1201469037 /nfs/dbraw/zinc/46/90/37/1201469037.db2.gz VYCQKNWYDIWBTL-CVEARBPZSA-N 0 1 362.478 0.844 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1 ZINC001130017415 1201473592 /nfs/dbraw/zinc/47/35/92/1201473592.db2.gz HGCJQTKZNKTSBB-VQHPVUNQSA-N 0 1 369.425 0.666 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@@H]1n1ccnn1 ZINC001130017721 1201473741 /nfs/dbraw/zinc/47/37/41/1201473741.db2.gz VYNWJSPNLWXDKF-MSOLQXFVSA-N 0 1 361.409 0.900 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnnc3ccccc32)C[C@@H]1n1ccnn1 ZINC001130020674 1201474317 /nfs/dbraw/zinc/47/43/17/1201474317.db2.gz RETWAQGJGRTXRW-MSOLQXFVSA-N 0 1 361.409 0.900 20 30 FCEDMN C=CCCn1cc(C(=O)N2C[C@@H](NCC#CC)[C@@H](n3ccnn3)C2)nn1 ZINC001130034039 1201482251 /nfs/dbraw/zinc/48/22/51/1201482251.db2.gz IOFLZIKGWANREH-ZBFHGGJFSA-N 0 1 354.418 0.124 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@@H]1n1ccnn1 ZINC001130046683 1201486027 /nfs/dbraw/zinc/48/60/27/1201486027.db2.gz NZHSUDRCVBPAAS-CVEARBPZSA-N 0 1 358.446 0.092 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2ncccc2F)C[C@@H]1n1ccnn1 ZINC001130057143 1201486674 /nfs/dbraw/zinc/48/66/74/1201486674.db2.gz KKDZKYADTOBAAU-CABCVRRESA-N 0 1 358.377 0.117 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1n1ccnn1 ZINC001130062780 1201488582 /nfs/dbraw/zinc/48/85/82/1201488582.db2.gz WWAIGRSQBRGBRB-SOLBZPMBSA-N 0 1 361.446 0.086 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)CCCOC)C[C@@H]1n1ccnn1 ZINC001130086111 1201494310 /nfs/dbraw/zinc/49/43/10/1201494310.db2.gz LZOPOVACCCILBW-BBWFWOEESA-N 0 1 363.462 0.332 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)C[C@@H]1n1ccnn1 ZINC001130088733 1201496811 /nfs/dbraw/zinc/49/68/11/1201496811.db2.gz GGKUAROZQRGYQR-JQHSSLGASA-N 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1271721264 /nfs/dbraw/zinc/72/12/64/1271721264.db2.gz FIZYBYWMYOSVAD-CQSZACIVSA-N 0 1 370.413 0.790 20 30 FCEDMN C=CCNC(=O)CN(C)C[C@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575104056 1271721381 /nfs/dbraw/zinc/72/13/81/1271721381.db2.gz LTXAGRCYJGXCLZ-LBPRGKRZSA-N 0 1 357.418 0.219 20 30 FCEDMN C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C[C@H]1C ZINC001575110403 1271722908 /nfs/dbraw/zinc/72/29/08/1271722908.db2.gz OYCKLAGAQPWTES-MLGOLLRUSA-N 0 1 370.413 0.646 20 30 FCEDMN C=CCn1cc(C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3cnn[n-]3)CC2)nn1 ZINC001575111268 1271723138 /nfs/dbraw/zinc/72/31/38/1271723138.db2.gz BCNFELYEVWGFQM-HDJSIYSDSA-N 0 1 358.450 0.908 20 30 FCEDMN C=CCOCC(=O)N[C@]1(C)CCN(C(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001575110148 1271723539 /nfs/dbraw/zinc/72/35/39/1271723539.db2.gz JYDZIJCWRKQQBN-QGZVFWFLSA-N 0 1 361.446 0.827 20 30 FCEDMN C=CCOCC(=O)N[C@]1(C)CCN(C(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001575110148 1271723547 /nfs/dbraw/zinc/72/35/47/1271723547.db2.gz JYDZIJCWRKQQBN-QGZVFWFLSA-N 0 1 361.446 0.827 20 30 FCEDMN C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCc2c[nH]nn2)CC[C@@H]1C ZINC001575110507 1271724467 /nfs/dbraw/zinc/72/44/67/1271724467.db2.gz RWSUZHKVSYWJMU-GJZGRUSLSA-N 0 1 363.462 0.931 20 30 FCEDMN C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCc2cnn[nH]2)CC[C@@H]1C ZINC001575110507 1271724475 /nfs/dbraw/zinc/72/44/75/1271724475.db2.gz RWSUZHKVSYWJMU-GJZGRUSLSA-N 0 1 363.462 0.931 20 30 FCEDMN CC#CCCCC(=O)NCC[C@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001575116947 1271729705 /nfs/dbraw/zinc/72/97/05/1271729705.db2.gz CVTITHKQZXWMSB-HNNXBMFYSA-N 0 1 367.475 0.104 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(CC)n1CC1([S@@](C)=O)CC1 ZINC001575121732 1271731658 /nfs/dbraw/zinc/73/16/58/1271731658.db2.gz NLVKIFIVMZCTAZ-RUZDIDTESA-N 0 1 361.475 0.900 20 30 FCEDMN CC#CCCCC(=O)N1CCCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001575117990 1271731817 /nfs/dbraw/zinc/73/18/17/1271731817.db2.gz SVEAMXMARKUGQE-UHFFFAOYSA-N 0 1 361.446 0.966 20 30 FCEDMN CC#CCN(Cc1c[nH]nn1)c1nnc(-c2cnn(C)c2)n1CCCOC ZINC001575118505 1271732798 /nfs/dbraw/zinc/73/27/98/1271732798.db2.gz OEIBCVZBWDUTTA-UHFFFAOYSA-N 0 1 369.433 0.863 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)C[C@H]2CCCO2)CC1 ZINC001575175984 1271763716 /nfs/dbraw/zinc/76/37/16/1271763716.db2.gz CMJNFFAVBGHBDX-CZUORRHYSA-N 0 1 374.445 0.853 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(F)(F)[C@H](CNC(=O)CCCc2c[nH]nn2)C1 ZINC001575176296 1271765037 /nfs/dbraw/zinc/76/50/37/1271765037.db2.gz FJXCOGMTSVXDOU-VXGBXAGGSA-N 0 1 368.388 0.887 20 30 FCEDMN C[C@H](C#N)C(=O)N1CCC(F)(F)[C@H](CNC(=O)CCCc2cnn[nH]2)C1 ZINC001575176296 1271765044 /nfs/dbraw/zinc/76/50/44/1271765044.db2.gz FJXCOGMTSVXDOU-VXGBXAGGSA-N 0 1 368.388 0.887 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)CCCc3c[nH]nn3)C2)CC1 ZINC001575176672 1271765080 /nfs/dbraw/zinc/76/50/80/1271765080.db2.gz GZKPQBPDMYSHFK-ZDUSSCGKSA-N 0 1 374.445 0.505 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)CCCc3cnn[nH]3)C2)CC1 ZINC001575176672 1271765093 /nfs/dbraw/zinc/76/50/93/1271765093.db2.gz GZKPQBPDMYSHFK-ZDUSSCGKSA-N 0 1 374.445 0.505 20 30 FCEDMN C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1C(=O)CCOCc1c[nH]nn1 ZINC001575176225 1271765765 /nfs/dbraw/zinc/76/57/65/1271765765.db2.gz FIBNKOMFHKBJTL-DZGCQCFKSA-N 0 1 362.434 0.758 20 30 FCEDMN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C[C@H]21 ZINC001575180016 1271769508 /nfs/dbraw/zinc/76/95/08/1271769508.db2.gz YOFLGMZHBXGICE-DOERSZECSA-N 0 1 365.397 0.461 20 30 FCEDMN C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCCCc2cn[nH]n2)CC1 ZINC001575179431 1271770467 /nfs/dbraw/zinc/77/04/67/1271770467.db2.gz VDWJLXCOYMJXFY-ZDUSSCGKSA-N 0 1 362.434 0.147 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001575179938 1271770552 /nfs/dbraw/zinc/77/05/52/1271770552.db2.gz XLVMWZHTERXKEG-UKRRQHHQSA-N 0 1 374.445 0.363 20 30 FCEDMN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001575179938 1271770561 /nfs/dbraw/zinc/77/05/61/1271770561.db2.gz XLVMWZHTERXKEG-UKRRQHHQSA-N 0 1 374.445 0.363 20 30 FCEDMN C[C@@H](C(=O)NCc1c[nH]nn1)N1CCC[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001575223559 1271821764 /nfs/dbraw/zinc/82/17/64/1271821764.db2.gz OIJZNIZBUZXMBU-IFXJQAMLSA-N 0 1 372.473 0.441 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NCc2c[nH]nn2)CC1(C)C ZINC001575318903 1271918311 /nfs/dbraw/zinc/91/83/11/1271918311.db2.gz SLTXULHLHZBDPG-GOEBONIOSA-N 0 1 374.489 0.686 20 30 FCEDMN CC(C)C#CC(=O)N1CC2(C1)CCCN(C(=O)CCOCc1c[nH]nn1)C2 ZINC001575318909 1271919711 /nfs/dbraw/zinc/91/97/11/1271919711.db2.gz SOBCRBLSTMXJJV-UHFFFAOYSA-N 0 1 373.457 0.822 20 30 FCEDMN CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001575319205 1271921983 /nfs/dbraw/zinc/92/19/83/1271921983.db2.gz ZYHZNAPQSAAZEH-ZBFHGGJFSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)c1nc(C(F)(F)F)n[nH]1 ZINC001575442402 1272113206 /nfs/dbraw/zinc/11/32/06/1272113206.db2.gz BGARXDFEOUBVKC-BYPYZUCNSA-N 0 1 351.256 0.838 20 30 FCEDMN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001575553818 1272192775 /nfs/dbraw/zinc/19/27/75/1272192775.db2.gz DIXJPARCWSILTL-GHMZBOCLSA-N 0 1 359.390 0.186 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575556238 1272195063 /nfs/dbraw/zinc/19/50/63/1272195063.db2.gz WLGCAEAFOFAGDQ-WDEREUQCSA-N 0 1 359.390 0.186 20 30 FCEDMN C[C@H](CNC(=O)C#CC1CC1)N(C)C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575565519 1272200525 /nfs/dbraw/zinc/20/05/25/1272200525.db2.gz DGCRTUMCYVYNHH-CQSZACIVSA-N 0 1 372.473 0.393 20 30 FCEDMN C[C@H](CNC(=O)c1ccc(-c2cn[nH]n2)cn1)N(C)C(=O)C#CC1CC1 ZINC001575600867 1272226996 /nfs/dbraw/zinc/22/69/96/1272226996.db2.gz FXLKAEJDNYWOHF-GFCCVEGCSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001575717638 1272366880 /nfs/dbraw/zinc/36/68/80/1272366880.db2.gz FFBHIFSDSJRVCH-DZGCQCFKSA-N 0 1 359.430 0.430 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N(C)C[C@@H]1CCN1C(=O)C#CC(C)(C)C ZINC001575718901 1272369333 /nfs/dbraw/zinc/36/93/33/1272369333.db2.gz LOEIJNOOMCYPDL-ZFWWWQNUSA-N 0 1 361.446 0.819 20 30 FCEDMN CC1(C)CN=C(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)S1 ZINC001575735158 1272401971 /nfs/dbraw/zinc/40/19/71/1272401971.db2.gz BAJLXLRBIQGWRD-UHFFFAOYSA-N 0 1 370.446 0.532 20 30 FCEDMN C[C@@]1([C@H]2CCCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)COC(=O)N1 ZINC001575753249 1272416163 /nfs/dbraw/zinc/41/61/63/1272416163.db2.gz ZVGJSXXGNCARMG-VFZGTOFNSA-N 0 1 355.362 0.243 20 30 FCEDMN C[C@@]1(C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)COC(=O)N1 ZINC001575753012 1272416803 /nfs/dbraw/zinc/41/68/03/1272416803.db2.gz VSLWOWZHHQWSMN-HNNXBMFYSA-N 0 1 355.362 0.243 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001575822805 1272482289 /nfs/dbraw/zinc/48/22/89/1272482289.db2.gz MHYNRGPUUFQLCQ-AAEUAGOBSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCCN(c2ccc(C#N)nc2)CC1 ZINC001575823621 1272483561 /nfs/dbraw/zinc/48/35/61/1272483561.db2.gz SESKPCUKQDERHD-CYBMUJFWSA-N 0 1 355.402 0.715 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001575849163 1272523490 /nfs/dbraw/zinc/52/34/90/1272523490.db2.gz XSUGNAMLYAXNMZ-NEPJUHHUSA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 ZINC001575855972 1272530029 /nfs/dbraw/zinc/53/00/29/1272530029.db2.gz XOANOBVPJDYLAJ-IINYFYTJSA-N 0 1 356.390 0.378 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 ZINC001575874482 1272539379 /nfs/dbraw/zinc/53/93/79/1272539379.db2.gz AMIOTVOMOPWASK-NSHDSACASA-N 0 1 356.390 0.157 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001575881040 1272545554 /nfs/dbraw/zinc/54/55/54/1272545554.db2.gz ZXDMWRRFSNZIJQ-UKRRQHHQSA-N 0 1 361.446 0.867 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001575890673 1272550640 /nfs/dbraw/zinc/55/06/40/1272550640.db2.gz YAMXJXOKQKFFJF-UHIISALHSA-N 0 1 356.390 0.013 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)Nc1ccccc1-n1ncc(C#N)c1N ZINC001575894395 1272552556 /nfs/dbraw/zinc/55/25/56/1272552556.db2.gz KMJRTHAYZJBJPO-JTQLQIEISA-N 0 1 352.358 0.988 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCCc1c[nH]nn1 ZINC001576021867 1272723693 /nfs/dbraw/zinc/72/36/93/1272723693.db2.gz AUKDKMKGVMTZKT-BXUZGUMPSA-N 0 1 355.402 0.747 20 30 FCEDMN C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCCc1cnn[nH]1 ZINC001576021867 1272723702 /nfs/dbraw/zinc/72/37/02/1272723702.db2.gz AUKDKMKGVMTZKT-BXUZGUMPSA-N 0 1 355.402 0.747 20 30 FCEDMN CN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001576825705 1273749509 /nfs/dbraw/zinc/74/95/09/1273749509.db2.gz LRGSSYMYADMRLY-UHFFFAOYSA-N 0 1 355.402 0.606 20 30 FCEDMN CN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001576825705 1273749517 /nfs/dbraw/zinc/74/95/17/1273749517.db2.gz LRGSSYMYADMRLY-UHFFFAOYSA-N 0 1 355.402 0.606 20 30 FCEDMN CO[C@H](C(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1)c1cnn(C)c1 ZINC001576922979 1273943960 /nfs/dbraw/zinc/94/39/60/1273943960.db2.gz ZSUAWCLUGXKBGH-INIZCTEOSA-N 0 1 372.433 0.242 20 30 FCEDMN CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CCCc1c[nH]nn1 ZINC001577038216 1274100416 /nfs/dbraw/zinc/10/04/16/1274100416.db2.gz SWVVANPUKIHJGS-HUUCEWRRSA-N 0 1 373.392 0.553 20 30 FCEDMN CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CCCc1cnn[nH]1 ZINC001577038216 1274100418 /nfs/dbraw/zinc/10/04/18/1274100418.db2.gz SWVVANPUKIHJGS-HUUCEWRRSA-N 0 1 373.392 0.553 20 30 FCEDMN CC[C@H](Sc1nc(CC(=O)N[C@H]2CNC[C@@H]2C#N)cs1)C(N)=O ZINC001577189287 1274237239 /nfs/dbraw/zinc/23/72/39/1274237239.db2.gz WJDVEONGLTZSCO-LSJOCFKGSA-N 0 1 353.473 0.269 20 30 FCEDMN Cc1nc(N2CCN(C(=O)[C@H](C)OCc3c[nH]nn3)CC2)ccc1C#N ZINC001577557798 1274500049 /nfs/dbraw/zinc/50/00/49/1274500049.db2.gz RRHBSGXFURKZFT-ZDUSSCGKSA-N 0 1 355.402 0.634 20 30 FCEDMN N#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001577706324 1274767623 /nfs/dbraw/zinc/76/76/23/1274767623.db2.gz CGEBRNDHBFYVRH-AWEZNQCLSA-N 0 1 368.445 0.580 20 30 FCEDMN N#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001577706325 1274768012 /nfs/dbraw/zinc/76/80/12/1274768012.db2.gz CGEBRNDHBFYVRH-CQSZACIVSA-N 0 1 368.445 0.580 20 30 FCEDMN N#CCNCCC(=O)NC[C@H]1CCCCN1C(=O)CCCc1c[nH]nn1 ZINC001577709732 1274769873 /nfs/dbraw/zinc/76/98/73/1274769873.db2.gz ALOWKVBFYISOBS-OAHLLOKOSA-N 0 1 361.450 0.128 20 30 FCEDMN N#CCNCCC(=O)NC[C@H]1CCCCN1C(=O)CCCc1cnn[nH]1 ZINC001577709732 1274769878 /nfs/dbraw/zinc/76/98/78/1274769878.db2.gz ALOWKVBFYISOBS-OAHLLOKOSA-N 0 1 361.450 0.128 20 30 FCEDMN N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(Cc3c[nH]nn3)C2)[nH]1 ZINC001577712274 1274772694 /nfs/dbraw/zinc/77/26/94/1274772694.db2.gz HKWXGPBCRKRTGC-SIUGBPQLSA-N 0 1 351.414 0.987 20 30 FCEDMN N#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CCN(Cc4c[nH]nn4)CC3)C[C@@H]21 ZINC001577710279 1274773081 /nfs/dbraw/zinc/77/30/81/1274773081.db2.gz VVEYOVZVAYIPHB-RYQLBKOJSA-N 0 1 371.489 0.757 20 30 FCEDMN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nc1 ZINC001577717639 1274775925 /nfs/dbraw/zinc/77/59/25/1274775925.db2.gz LEASSZLTMJIBON-LZWOXQAQSA-N 0 1 366.429 0.795 20 30 FCEDMN N#Cc1ccc(Cn2cc(NC(=O)N[C@H](CO)Cc3c[nH]nn3)cn2)cc1 ZINC001577715963 1274777952 /nfs/dbraw/zinc/77/79/52/1274777952.db2.gz ZYXJYBYLVHQOPQ-HNNXBMFYSA-N 0 1 366.385 0.646 20 30 FCEDMN N#Cc1ccc(Cn2cc(NC(=O)N[C@H](CO)Cc3cnn[nH]3)cn2)cc1 ZINC001577715963 1274777963 /nfs/dbraw/zinc/77/79/63/1274777963.db2.gz ZYXJYBYLVHQOPQ-HNNXBMFYSA-N 0 1 366.385 0.646 20 30 FCEDMN N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)CCCCc2cn[nH]n2)n1 ZINC001577718990 1274781401 /nfs/dbraw/zinc/78/14/01/1274781401.db2.gz DLYMKZWPOVKGHK-AWEZNQCLSA-N 0 1 370.417 0.201 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C2)n1 ZINC001577718947 1274782880 /nfs/dbraw/zinc/78/28/80/1274782880.db2.gz BXQKNTMEKJSRAP-GFCCVEGCSA-N 0 1 361.369 0.277 20 30 FCEDMN N#Cc1nccc(NC2CC3(CC(NC(=O)CCCc4c[nH]nn4)C3)C2)n1 ZINC001577719701 1274785999 /nfs/dbraw/zinc/78/59/99/1274785999.db2.gz XYQVFXFETOJKDC-UHFFFAOYSA-N 0 1 366.429 0.750 20 30 FCEDMN N#Cc1nccc(NC2CC3(CC(NC(=O)CCCc4cnn[nH]4)C3)C2)n1 ZINC001577719701 1274786002 /nfs/dbraw/zinc/78/60/02/1274786002.db2.gz XYQVFXFETOJKDC-UHFFFAOYSA-N 0 1 366.429 0.750 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)CCCc2c[nH]nn2)C1 ZINC001577746180 1274822704 /nfs/dbraw/zinc/82/27/04/1274822704.db2.gz RBJCFLFLLFSCSV-NVXWUHKLSA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)CCCc2cnn[nH]2)C1 ZINC001577746180 1274822707 /nfs/dbraw/zinc/82/27/07/1274822707.db2.gz RBJCFLFLLFSCSV-NVXWUHKLSA-N 0 1 355.442 0.990 20 30 FCEDMN O=C(C#CC1CC1)NCCN(C(=O)[C@@H]1CCCN1Cc1c[nH]nn1)C1CC1 ZINC001577746360 1274822879 /nfs/dbraw/zinc/82/28/79/1274822879.db2.gz XGFQDLNOXDCZTL-KRWDZBQOSA-N 0 1 370.457 0.290 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H](NC(=O)C1(Cc2c[nH]nn2)CCC1)C1CC1 ZINC001577745402 1274823193 /nfs/dbraw/zinc/82/31/93/1274823193.db2.gz FSYNNTQPPYBEIV-MRXNPFEDSA-N 0 1 355.442 0.942 20 30 FCEDMN O=C(C#CC1CC1)NC[C@@H](NC(=O)C1(Cc2cnn[nH]2)CCC1)C1CC1 ZINC001577745402 1274823200 /nfs/dbraw/zinc/82/32/00/1274823200.db2.gz FSYNNTQPPYBEIV-MRXNPFEDSA-N 0 1 355.442 0.942 20 30 FCEDMN O=C(C#CC1CC1)N[C@H](CNC(=O)c1cncc(-c2cn[nH]n2)c1)C1CC1 ZINC001577746391 1274823223 /nfs/dbraw/zinc/82/32/23/1274823223.db2.gz YDZSOGSQAUBIMA-MRXNPFEDSA-N 0 1 364.409 0.905 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@@](O)(CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001577817199 1274923520 /nfs/dbraw/zinc/92/35/20/1274923520.db2.gz WOXCELRGQGOZSF-GOSISDBHSA-N 0 1 359.430 0.011 20 30 FCEDMN COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2C#N)cc1Cl ZINC001578829051 1276339469 /nfs/dbraw/zinc/33/94/69/1276339469.db2.gz BHKARDVRJMBFAB-UFBFGSQYSA-N 0 1 358.807 0.908 20 30 FCEDMN CN(Cc1ccc([S@](C)=O)cc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579253485 1277051151 /nfs/dbraw/zinc/05/11/51/1277051151.db2.gz PYWFYTFAEUJLRL-VWLOTQADSA-N 0 1 354.399 0.902 20 30 FCEDMN COC(=O)[C@@H](CC1CCOCC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579433578 1277300402 /nfs/dbraw/zinc/30/04/02/1277300402.db2.gz JZGGIGMQFKBRKV-SNVBAGLBSA-N 0 1 358.362 0.299 20 30 FCEDMN COC(=O)Cc1ccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001579452339 1277342563 /nfs/dbraw/zinc/34/25/63/1277342563.db2.gz UYIAZAHXRODVOE-UHFFFAOYSA-N 0 1 350.342 0.856 20 30 FCEDMN COC(=O)c1ccc(CN(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001579481894 1277391202 /nfs/dbraw/zinc/39/12/02/1277391202.db2.gz FXYPPNAUGISXBQ-UHFFFAOYSA-N 0 1 350.342 0.951 20 30 FCEDMN COC(=O)c1ccccc1CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579487373 1277397110 /nfs/dbraw/zinc/39/71/10/1277397110.db2.gz GFYVKEAJRUDRRW-UHFFFAOYSA-N 0 1 350.342 0.970 20 30 FCEDMN COCC#CC[N@@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001579618786 1277664807 /nfs/dbraw/zinc/66/48/07/1277664807.db2.gz NGHOEJBNGIMUDN-TZMCWYRMSA-N 0 1 357.418 0.142 20 30 FCEDMN Cc1ccc(CC(=O)N2CCN(C(=O)N[C@H]3CNC[C@H]3C#N)CC2)cc1 ZINC001579678762 1277760458 /nfs/dbraw/zinc/76/04/58/1277760458.db2.gz IUEKUYJIKVQYFK-SJORKVTESA-N 0 1 355.442 0.503 20 30 FCEDMN C[C@@H](CNCc1ccccc1C#N)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580281174 1278081410 /nfs/dbraw/zinc/08/14/10/1278081410.db2.gz PXRKCZGREDOHIO-NSHDSACASA-N 0 1 350.386 0.975 20 30 FCEDMN Cc1cc(N2CCC(CO)(NC(=O)[C@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580956341 1279160560 /nfs/dbraw/zinc/16/05/60/1279160560.db2.gz JSDBXLZWLZLBRX-LLVKDONJSA-N 0 1 370.417 0.177 20 30 FCEDMN Cc1cc(N[C@H](C)CCNC(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990896 1279193434 /nfs/dbraw/zinc/19/34/34/1279193434.db2.gz KABRBLLEJQTBNS-SNVBAGLBSA-N 0 1 365.401 0.812 20 30 FCEDMN Cc1cc(N[C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581008123 1279231036 /nfs/dbraw/zinc/23/10/36/1279231036.db2.gz FSLRJXHESAWBKD-YGRLFVJLSA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(NC[C@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011152 1279237399 /nfs/dbraw/zinc/23/73/99/1279237399.db2.gz DFNSAOIIPFYHNI-NSHDSACASA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cc(N[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581035980 1279270702 /nfs/dbraw/zinc/27/07/02/1279270702.db2.gz DVKIEEXEBJFARN-RAIGVLPGSA-N 0 1 354.418 0.991 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038806 1279276192 /nfs/dbraw/zinc/27/61/92/1279276192.db2.gz BAAXHPXLTRAPGW-HAQNSBGRSA-N 0 1 363.385 0.565 20 30 FCEDMN Cn1cc([C@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2(C)C)cn1 ZINC001581767161 1280483547 /nfs/dbraw/zinc/48/35/47/1280483547.db2.gz NOMWJWGACQDJGP-LLVKDONJSA-N 0 1 350.390 0.892 20 30 FCEDMN N#Cc1[n-]c(NC(=O)CC2([NH+]3CCOCC3)CCCC2)nc1-c1nn[nH]n1 ZINC001581859875 1280611958 /nfs/dbraw/zinc/61/19/58/1280611958.db2.gz AETXAIALLHFNLX-UHFFFAOYSA-N 0 1 371.405 0.435 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581864536 1280615788 /nfs/dbraw/zinc/61/57/88/1280615788.db2.gz APNKMOGYMNGRMF-UMSPYCQHSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001581865225 1280618139 /nfs/dbraw/zinc/61/81/39/1280618139.db2.gz GBQKHPWJWSHOCH-SNVBAGLBSA-N 0 1 364.373 0.113 20 30 FCEDMN N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001581864783 1280619345 /nfs/dbraw/zinc/61/93/45/1280619345.db2.gz OBJVTERXUJVEDI-LLVKDONJSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)c[nH]1 ZINC001581866099 1280621657 /nfs/dbraw/zinc/62/16/57/1280621657.db2.gz SCPZRFJWIQLWKB-UHFFFAOYSA-N 0 1 364.373 0.043 20 30 FCEDMN N#Cc1ccc(C(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)[nH]1 ZINC001581867740 1280624070 /nfs/dbraw/zinc/62/40/70/1280624070.db2.gz UBKHZJAIDFJLRV-OAHLLOKOSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)[nH]1 ZINC001581868169 1280624408 /nfs/dbraw/zinc/62/44/08/1280624408.db2.gz LKONAROJNBVAAV-OAHLLOKOSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1nc(NCC2([NH+]3CCCCC3)CCOCC2)cnc1-c1nn[n-]n1 ZINC001581880673 1280640876 /nfs/dbraw/zinc/64/08/76/1280640876.db2.gz RQHABRDTPBKMDD-UHFFFAOYSA-N 0 1 369.433 0.975 20 30 FCEDMN N#Cc1ncc(N2CCC([NH2+]C3CCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882467 1280643361 /nfs/dbraw/zinc/64/33/61/1280643361.db2.gz ZTJIXZRYISWJDK-UHFFFAOYSA-N 0 1 355.406 0.266 20 30 FCEDMN N#Cc1ncc(N2CCCN(CC(F)(F)F)CC2)nc1-c1nn[nH]n1 ZINC001581882339 1280644798 /nfs/dbraw/zinc/64/47/98/1280644798.db2.gz UQGZCCXCEPNKNN-UHFFFAOYSA-N 0 1 353.312 0.603 20 30 FCEDMN N#Cc1ncc(N2CCn3nc(C(F)(F)F)cc3C2)nc1-c1nn[nH]n1 ZINC001581882503 1280645193 /nfs/dbraw/zinc/64/51/93/1280645193.db2.gz BIRFTBAXRJPAPJ-UHFFFAOYSA-N 0 1 362.279 0.764 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)nc1-c1nn[nH]n1 ZINC001581883232 1280647946 /nfs/dbraw/zinc/64/79/46/1280647946.db2.gz SGEWKEQEHWASBU-VIFPVBQESA-N 0 1 360.403 0.440 20 30 FCEDMN N#Cc1ncc(NCCS(=O)(=O)c2ccccc2)nc1-c1nn[nH]n1 ZINC001581884409 1280649910 /nfs/dbraw/zinc/64/99/10/1280649910.db2.gz YKSUCRYUZPWZIU-UHFFFAOYSA-N 0 1 356.371 0.414 20 30 FCEDMN O=C(C#CC1CC1)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001581912648 1280716499 /nfs/dbraw/zinc/71/64/99/1280716499.db2.gz STAPQZIKGPDXLG-UHFFFAOYSA-N 0 1 351.414 0.938 20 30 FCEDMN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603913976 1287529971 /nfs/dbraw/zinc/52/99/71/1287529971.db2.gz QWKKOTKBUBMQNS-DOMZBBRYSA-N 0 1 353.430 0.992 20 30 FCEDMN C#CC[C@@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001588333739 1282425405 /nfs/dbraw/zinc/42/54/05/1282425405.db2.gz CSCHBIKDJIPZSI-VIFPVBQESA-N 0 1 366.359 0.092 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338315 1282430372 /nfs/dbraw/zinc/43/03/72/1282430372.db2.gz JOJWBOVCTYJQBK-CHWSQXEVSA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588338319 1282431294 /nfs/dbraw/zinc/43/12/94/1282431294.db2.gz JOJWBOVCTYJQBK-STQMWFEESA-N 0 1 354.418 0.579 20 30 FCEDMN C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588339519 1282434223 /nfs/dbraw/zinc/43/42/23/1282434223.db2.gz NSQCLDWKPOMFPF-ZIAGYGMSSA-N 0 1 368.445 0.779 20 30 FCEDMN C#CCCCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588340201 1282435049 /nfs/dbraw/zinc/43/50/49/1282435049.db2.gz IMRUASQSKRXXLE-CYBMUJFWSA-N 0 1 354.418 0.793 20 30 FCEDMN C#CCCCCC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001588342879 1282437893 /nfs/dbraw/zinc/43/78/93/1282437893.db2.gz UOOWWLUZWQKWCS-CYBMUJFWSA-N 0 1 356.434 0.825 20 30 FCEDMN C#CCCCCC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588343024 1282440106 /nfs/dbraw/zinc/44/01/06/1282440106.db2.gz XACFCLNEJTUOMK-CYBMUJFWSA-N 0 1 357.418 0.075 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588355125 1282453572 /nfs/dbraw/zinc/45/35/72/1282453572.db2.gz DDNBNYRXIJAGQF-LBPRGKRZSA-N 0 1 360.393 0.592 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588357644 1282466957 /nfs/dbraw/zinc/46/69/57/1282466957.db2.gz ODYKFTWCVDTQMF-QMAVJUDZSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588357644 1282466961 /nfs/dbraw/zinc/46/69/61/1282466961.db2.gz ODYKFTWCVDTQMF-QMAVJUDZSA-N 0 1 360.443 0.729 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588359460 1282474601 /nfs/dbraw/zinc/47/46/01/1282474601.db2.gz OVVGXEFLTAYXPP-CQSZACIVSA-N 0 1 369.429 0.435 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361061 1282480513 /nfs/dbraw/zinc/48/05/13/1282480513.db2.gz CRTNZPMKXUTHTA-GFCCVEGCSA-N 0 1 357.418 0.196 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001588361519 1282485672 /nfs/dbraw/zinc/48/56/72/1282485672.db2.gz OVHRZAZZFNPWPX-QWHCGFSZSA-N 0 1 370.417 0.170 20 30 FCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)nc1 ZINC001588364256 1282492411 /nfs/dbraw/zinc/49/24/11/1282492411.db2.gz BJQQKIQYAFVOGV-CQSZACIVSA-N 0 1 374.408 0.777 20 30 FCEDMN C=C(Br)CNC/C=C\CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001588391037 1282497018 /nfs/dbraw/zinc/49/70/18/1282497018.db2.gz BYUBSSNXYIHSOL-IHWYPQMZSA-N 0 1 366.223 0.979 20 30 FCEDMN C=C(C)CCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588411485 1282503617 /nfs/dbraw/zinc/50/36/17/1282503617.db2.gz DGOIOROFRVIZHE-UHFFFAOYSA-N 0 1 372.433 0.200 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001588468660 1282512720 /nfs/dbraw/zinc/51/27/20/1282512720.db2.gz MNVNVSZINFMOPT-LLVKDONJSA-N 0 1 356.434 0.940 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468524 1282514610 /nfs/dbraw/zinc/51/46/10/1282514610.db2.gz LUSOTROOKXYBHG-NWDGAFQWSA-N 0 1 356.434 0.940 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001588499539 1282528540 /nfs/dbraw/zinc/52/85/40/1282528540.db2.gz JJNCIUZIMBQMGP-SCLBCKFNSA-N 0 1 371.445 0.874 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588499589 1282531260 /nfs/dbraw/zinc/53/12/60/1282531260.db2.gz KOOKVMQEGCVHLB-SCLBCKFNSA-N 0 1 371.445 0.934 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501150 1282533831 /nfs/dbraw/zinc/53/38/31/1282533831.db2.gz KHVMQXADKRYBEY-MEDUHNTESA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503599 1282540320 /nfs/dbraw/zinc/54/03/20/1282540320.db2.gz ARQYFQOGFNODCD-RTRPANQVSA-N 0 1 357.418 0.403 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588503203 1282540989 /nfs/dbraw/zinc/54/09/89/1282540989.db2.gz XCVYRXPFJCVQFB-ROUUACIJSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588504868 1282546201 /nfs/dbraw/zinc/54/62/01/1282546201.db2.gz MGHISQUWERGUTQ-ACJLOTCBSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001588505833 1282547457 /nfs/dbraw/zinc/54/74/57/1282547457.db2.gz YCZGDAKNVIJMDS-WMLDXEAASA-N 0 1 359.434 0.563 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588507806 1282549625 /nfs/dbraw/zinc/54/96/25/1282549625.db2.gz KMSLALWQVLCCMI-PZNPJNSTSA-N 0 1 355.402 0.140 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588608806 1282584246 /nfs/dbraw/zinc/58/42/46/1282584246.db2.gz QTSKHDMPLJXVTG-QWHCGFSZSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001588608902 1282584833 /nfs/dbraw/zinc/58/48/33/1282584833.db2.gz RWULIRQEBFYFIX-VXGBXAGGSA-N 0 1 360.422 0.319 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588611377 1282590034 /nfs/dbraw/zinc/59/00/34/1282590034.db2.gz SLEIMZICOJBRIP-SFHVURJKSA-N 0 1 371.445 0.927 20 30 FCEDMN C=CCOCC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588665427 1282619410 /nfs/dbraw/zinc/61/94/10/1282619410.db2.gz KYMRPZYDPUQHLX-UHFFFAOYSA-N 0 1 360.422 0.178 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001588666150 1282619875 /nfs/dbraw/zinc/61/98/75/1282619875.db2.gz AZVVMUFUOMISBV-TZMCWYRMSA-N 0 1 357.418 0.535 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588718743 1282663609 /nfs/dbraw/zinc/66/36/09/1282663609.db2.gz RPJXZZZOUSIYOI-TUUUFIMRSA-N 0 1 370.417 0.071 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001588723118 1282672883 /nfs/dbraw/zinc/67/28/83/1282672883.db2.gz HJQHIVSXOZDMMG-JMSVASOKSA-N 0 1 357.418 0.439 20 30 FCEDMN CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588738841 1282677841 /nfs/dbraw/zinc/67/78/41/1282677841.db2.gz SPEAKEWDWDHKPU-AWEZNQCLSA-N 0 1 371.445 0.711 20 30 FCEDMN CC#CCCCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588743912 1282682716 /nfs/dbraw/zinc/68/27/16/1282682716.db2.gz OCEXBVJVAYZWBR-CYBMUJFWSA-N 0 1 370.417 0.172 20 30 FCEDMN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001588744382 1282685782 /nfs/dbraw/zinc/68/57/82/1282685782.db2.gz YQORECZHWRYQLN-IAGOWNOFSA-N 0 1 368.441 0.722 20 30 FCEDMN C[C@@H](C(=O)OCCOc1ccccc1C#N)n1cnc(-c2nn[nH]n2)n1 ZINC001589029757 1282776621 /nfs/dbraw/zinc/77/66/21/1282776621.db2.gz GOVNEFGXGVTSEB-JTQLQIEISA-N 0 1 354.330 0.513 20 30 FCEDMN C[C@H](C(=O)OCCOc1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001589029890 1282777510 /nfs/dbraw/zinc/77/75/10/1282777510.db2.gz IKIBEJUFQCZTGK-SNVBAGLBSA-N 0 1 354.330 0.513 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001589068060 1282791344 /nfs/dbraw/zinc/79/13/44/1282791344.db2.gz KKEVHRJTPLNVCQ-AWEZNQCLSA-N 0 1 374.420 0.622 20 30 FCEDMN CC(C)C#CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001589388361 1282866581 /nfs/dbraw/zinc/86/65/81/1282866581.db2.gz WRFMRFOSOOXKOC-CYBMUJFWSA-N 0 1 366.429 0.791 20 30 FCEDMN Cn1c(=O)[n-]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1=O ZINC001641946433 1282984191 /nfs/dbraw/zinc/98/41/91/1282984191.db2.gz QDUHACFGKBDRQD-CQSZACIVSA-N 0 1 355.398 0.258 20 30 FCEDMN Cn1c(=O)[n-]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1=O ZINC001641946433 1282984198 /nfs/dbraw/zinc/98/41/98/1282984198.db2.gz QDUHACFGKBDRQD-CQSZACIVSA-N 0 1 355.398 0.258 20 30 FCEDMN C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589911758 1283118340 /nfs/dbraw/zinc/11/83/40/1283118340.db2.gz DSRISZXWQKQCOL-OCCSQVGLSA-N 0 1 366.429 0.791 20 30 FCEDMN CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001590100716 1283213946 /nfs/dbraw/zinc/21/39/46/1283213946.db2.gz QCCRXTKCNVPNDR-OAHLLOKOSA-N 0 1 351.414 0.746 20 30 FCEDMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001590209146 1283334323 /nfs/dbraw/zinc/33/43/23/1283334323.db2.gz JZCATUPYJAGGRS-CMPLNLGQSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C#CC1CC1 ZINC001590210323 1283337987 /nfs/dbraw/zinc/33/79/87/1283337987.db2.gz SOBWOQHBFSICAM-JSGCOSHPSA-N 0 1 351.414 0.888 20 30 FCEDMN CN(C(=O)c1c[nH]c(C#N)c1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001590990118 1284046393 /nfs/dbraw/zinc/04/63/93/1284046393.db2.gz BFUWEMDQSWTZDT-UHFFFAOYSA-N 0 1 363.385 0.598 20 30 FCEDMN COC(=O)CCN(CC#N)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591264208 1284421510 /nfs/dbraw/zinc/42/15/10/1284421510.db2.gz BQPXYJVNSYVXSR-UHFFFAOYSA-N 0 1 356.389 0.006 20 30 FCEDMN COCC[C@@H](NC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC ZINC001591398898 1284536517 /nfs/dbraw/zinc/53/65/17/1284536517.db2.gz MFVQCDVTBNMQCF-ZIAGYGMSSA-N 0 1 372.385 0.243 20 30 FCEDMN COc1cncc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)c1 ZINC001591659287 1284788235 /nfs/dbraw/zinc/78/82/35/1284788235.db2.gz RHNLEUYKNJHTGR-UHFFFAOYSA-N 0 1 364.373 0.259 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001591756026 1284886202 /nfs/dbraw/zinc/88/62/02/1284886202.db2.gz JFVANWUYLUNRDG-KOLCDFICSA-N 0 1 364.373 0.254 20 30 FCEDMN C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001591777547 1284897624 /nfs/dbraw/zinc/89/76/24/1284897624.db2.gz RFULJJLTWCMGPA-ACJLOTCBSA-N 0 1 364.413 0.355 20 30 FCEDMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)C#CC2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591994054 1285046583 /nfs/dbraw/zinc/04/65/83/1285046583.db2.gz VVRRGYXSOYYHSU-AWEZNQCLSA-N 0 1 369.429 0.239 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592036569 1285080867 /nfs/dbraw/zinc/08/08/67/1285080867.db2.gz ZTXWFLMWNDHMJP-JSGCOSHPSA-N 0 1 351.414 0.807 20 30 FCEDMN Cc1cc(NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592045397 1285085233 /nfs/dbraw/zinc/08/52/33/1285085233.db2.gz CRIWIQKCAOEUML-DGCLKSJQSA-N 0 1 354.418 0.802 20 30 FCEDMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051820 1285097114 /nfs/dbraw/zinc/09/71/14/1285097114.db2.gz MIGQJPDCISRZLT-NQBHXWOUSA-N 0 1 354.418 0.658 20 30 FCEDMN Cn1ncc(C#N)c1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001592598030 1285530403 /nfs/dbraw/zinc/53/04/03/1285530403.db2.gz YLYOVAPIFYAOGJ-UHFFFAOYSA-N 0 1 366.389 0.664 20 30 FCEDMN N#CCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC001592672037 1285566807 /nfs/dbraw/zinc/56/68/07/1285566807.db2.gz VQDBCPHZHUAYLX-UHFFFAOYSA-N 0 1 354.330 0.677 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)Nc1nc2c(s1)CCCC2 ZINC001592683977 1285580734 /nfs/dbraw/zinc/58/07/34/1285580734.db2.gz KAGUYLJNRGDHLS-UHFFFAOYSA-N 0 1 355.387 0.909 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001592684328 1285584434 /nfs/dbraw/zinc/58/44/34/1285584434.db2.gz XKOHQYKCPFPZJM-UHFFFAOYSA-N 0 1 366.341 0.735 20 30 FCEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592766932 1285688246 /nfs/dbraw/zinc/68/82/46/1285688246.db2.gz WJBVCFJKUGSCSD-CQSZACIVSA-N 0 1 366.429 0.675 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592769333 1285694683 /nfs/dbraw/zinc/69/46/83/1285694683.db2.gz UFQXNURBPOIZDM-OLZOCXBDSA-N 0 1 352.402 0.331 20 30 FCEDMN O=C(N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593193232 1286035586 /nfs/dbraw/zinc/03/55/86/1286035586.db2.gz HAJZSAXVHBEUEY-VQFNDLOPSA-N 0 1 373.420 0.907 20 30 FCEDMN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC001600074415 1286437607 /nfs/dbraw/zinc/43/76/07/1286437607.db2.gz CTNVNYHJWPFXOM-UHFFFAOYSA-N 0 1 351.428 0.707 20 30 FCEDMN Cc1cccc(C[NH+]2CCN(C(=O)CN(CC#N)CCC(=O)[O-])CC2)c1 ZINC001600533991 1286503162 /nfs/dbraw/zinc/50/31/62/1286503162.db2.gz ZCQSZIMXVKMAOZ-UHFFFAOYSA-N 0 1 358.442 0.940 20 30 FCEDMN N#CCOc1cccc(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001601075568 1286627910 /nfs/dbraw/zinc/62/79/10/1286627910.db2.gz LFBHNSCFDLXTDR-SFHVURJKSA-N 0 1 374.397 0.982 20 30 FCEDMN N#Cc1ccc(CN2CC[NH+](CCc3cn(CC(=O)[O-])nn3)CC2)cc1 ZINC001601100535 1286632876 /nfs/dbraw/zinc/63/28/76/1286632876.db2.gz PFYCEIMDIHJEAX-UHFFFAOYSA-N 0 1 354.414 0.595 20 30 FCEDMN N#Cc1ccc(C[NH+]2CCN(CCc3cn(CC(=O)[O-])nn3)CC2)cc1 ZINC001601100535 1286632886 /nfs/dbraw/zinc/63/28/86/1286632886.db2.gz PFYCEIMDIHJEAX-UHFFFAOYSA-N 0 1 354.414 0.595 20 30 FCEDMN C#C[C@@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[nH]n3)n2CC=C)C1 ZINC001602696184 1287059046 /nfs/dbraw/zinc/05/90/46/1287059046.db2.gz DRKVZJFOSSQTCZ-LLVKDONJSA-N 0 1 350.390 0.884 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602729287 1287095844 /nfs/dbraw/zinc/09/58/44/1287095844.db2.gz NDVWUOOSLSKGTO-KGLIPLIRSA-N 0 1 369.429 0.563 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602729289 1287097040 /nfs/dbraw/zinc/09/70/40/1287097040.db2.gz NDVWUOOSLSKGTO-ZIAGYGMSSA-N 0 1 369.429 0.563 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)cn1 ZINC001602736691 1287099059 /nfs/dbraw/zinc/09/90/59/1287099059.db2.gz FGSWRKSVVSVMRH-GFCCVEGCSA-N 0 1 362.397 0.893 20 30 FCEDMN C#Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001602739008 1287100655 /nfs/dbraw/zinc/10/06/55/1287100655.db2.gz WURKCKXRMVIIOC-GFCCVEGCSA-N 0 1 363.801 0.735 20 30 FCEDMN 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CC#CCN[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1n1ccnn1 ZINC001129838051 1201410457 /nfs/dbraw/zinc/41/04/57/1201410457.db2.gz QBWOODIPIHCRQL-CVEARBPZSA-N 0 1 350.426 0.770 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129878739 1201411244 /nfs/dbraw/zinc/41/12/44/1201411244.db2.gz CGFOCSCZGQBCOR-CVEARBPZSA-N 0 1 368.397 0.658 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@@H]1n1ccnn1 ZINC001129890229 1201414529 /nfs/dbraw/zinc/41/45/29/1201414529.db2.gz COPGFNVPBADLTK-QGTPRVQTSA-N 0 1 365.441 0.238 20 30 FCEDMN CC[C@H](CC(F)F)C(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129891975 1201415272 /nfs/dbraw/zinc/41/52/72/1201415272.db2.gz BDSWSOALWQJQQW-KFWWJZLASA-N 0 1 369.416 0.951 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001129872523 1201417756 /nfs/dbraw/zinc/41/77/56/1201417756.db2.gz XQJQHXTYIXYMBK-CABCVRRESA-N 0 1 362.478 0.604 20 30 FCEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)C[C@@H]1n1ccnn1 ZINC001129872442 1201418137 /nfs/dbraw/zinc/41/81/37/1201418137.db2.gz WZAHONNDWMGHIZ-GJYPPUQNSA-N 0 1 370.457 0.115 20 30 FCEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@@H]1n1ccnn1 ZINC001129904845 1201421033 /nfs/dbraw/zinc/42/10/33/1201421033.db2.gz MMENRTBVHMEXAK-XHSDSOJGSA-N 0 1 371.445 0.006 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@@H]1n1ccnn1 ZINC001129940929 1201439027 /nfs/dbraw/zinc/43/90/27/1201439027.db2.gz ASONJBWKROHCTP-MSOLQXFVSA-N 0 1 361.409 0.900 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1n1ccnn1 ZINC001129923510 1201443015 /nfs/dbraw/zinc/44/30/15/1201443015.db2.gz GPLPQTHGTMAOOI-KGLIPLIRSA-N 0 1 350.386 0.180 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001129948937 1201446909 /nfs/dbraw/zinc/44/69/09/1201446909.db2.gz HBAILHDIFDDYRE-SJORKVTESA-N 0 1 355.446 0.236 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129952461 1201448443 /nfs/dbraw/zinc/44/84/43/1201448443.db2.gz VKNUGWUCDFSPRY-CABCVRRESA-N 0 1 360.462 0.195 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129956632 1201450276 /nfs/dbraw/zinc/45/02/76/1201450276.db2.gz MBDSSMTYYSTYOP-CABCVRRESA-N 0 1 362.478 0.747 20 30 FCEDMN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCF)C[C@@H]2n2ccnn2)C1=O ZINC001129961568 1201452419 /nfs/dbraw/zinc/45/24/19/1201452419.db2.gz SNJXVHGHHKKHDB-KFWWJZLASA-N 0 1 364.425 0.156 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCC(=O)NCCCC)[C@@H](n2ccnn2)C1 ZINC001129963880 1201453082 /nfs/dbraw/zinc/45/30/82/1201453082.db2.gz KILKKONMJFLMSW-CABCVRRESA-N 0 1 362.478 0.748 20 30 FCEDMN CC#CCCCC(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129972568 1201458765 /nfs/dbraw/zinc/45/87/65/1201458765.db2.gz BNXGGNUERSYJEE-CVEARBPZSA-N 0 1 360.462 0.339 20 30 FCEDMN C=CCCC1(C(=O)N2C[C@@H](N[C@@H](C)C(=O)NC)[C@@H](n3ccnn3)C2)CC1 ZINC001129999069 1201466444 /nfs/dbraw/zinc/46/64/44/1201466444.db2.gz JCEOORGFMWJTSB-ZNMIVQPWSA-N 0 1 360.462 0.501 20 30 FCEDMN CC(C)CCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001130014968 1201472788 /nfs/dbraw/zinc/47/27/88/1201472788.db2.gz KBSZESASCBDDSN-CABCVRRESA-N 0 1 361.450 0.086 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1n1ccnn1 ZINC001130040693 1201478434 /nfs/dbraw/zinc/47/84/34/1201478434.db2.gz HMRRUYPGSVVBKQ-MLHJIOFPSA-N 0 1 357.458 0.706 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COCc2ccccc2C)C[C@@H]1n1ccnn1 ZINC001130032809 1201481735 /nfs/dbraw/zinc/48/17/35/1201481735.db2.gz NJYQQTQJSPWBAK-MSOLQXFVSA-N 0 1 353.426 0.778 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@@H]1n1ccnn1 ZINC001130044239 1201485905 /nfs/dbraw/zinc/48/59/05/1201485905.db2.gz XQVIAFIVICGOPV-CVEARBPZSA-N 0 1 360.462 0.195 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnn(CCCOC)c2)C[C@@H]1n1ccnn1 ZINC001130077572 1201495567 /nfs/dbraw/zinc/49/55/67/1201495567.db2.gz ONHHYZSJEBHRGH-SJORKVTESA-N 0 1 371.445 0.190 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@@H]1n1ccnn1 ZINC001130091268 1201497202 /nfs/dbraw/zinc/49/72/02/1201497202.db2.gz IWJBAYIFGZJREJ-CVEARBPZSA-N 0 1 364.413 0.308 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@@H]1n1ccnn1 ZINC001130100081 1201499832 /nfs/dbraw/zinc/49/98/32/1201499832.db2.gz XNAJSIQBBIYVFQ-KSZLIROESA-N 0 1 370.457 0.722 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1n1ccnn1 ZINC001130102449 1201501571 /nfs/dbraw/zinc/50/15/71/1201501571.db2.gz ZBQBNYOWSBUSPO-SJORKVTESA-N 0 1 368.441 0.544 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C[C@@H]1n1ccnn1 ZINC001130127647 1201507099 /nfs/dbraw/zinc/50/70/99/1201507099.db2.gz BIXLHVBKEBTHNA-XWIAVFTESA-N 0 1 369.473 0.862 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1n1ccnn1 ZINC001130129404 1201508164 /nfs/dbraw/zinc/50/81/64/1201508164.db2.gz GXAANJRMOIDWMR-XYPHTWIQSA-N 0 1 353.430 0.171 20 30 FCEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccn2CC)C[C@@H]1n1ccnn1 ZINC001130123119 1201511319 /nfs/dbraw/zinc/51/13/19/1201511319.db2.gz HISPDAOKWKEHFG-ZBFHGGJFSA-N 0 1 371.445 0.057 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)CCCc2nc(CC)no2)C[C@@H]1n1ccnn1 ZINC001130123640 1201512127 /nfs/dbraw/zinc/51/21/27/1201512127.db2.gz XEUPASJFOGMQDS-KGLIPLIRSA-N 0 1 357.418 0.221 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@@H]1n1ccnn1 ZINC001130134176 1201514283 /nfs/dbraw/zinc/51/42/83/1201514283.db2.gz WEPJQBMBVNGECX-XHSDSOJGSA-N 0 1 358.446 0.044 20 30 FCEDMN C=C[C@@H](C(=O)N1C[C@@H](NCC(=O)NC)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130143421 1201516553 /nfs/dbraw/zinc/51/65/53/1201516553.db2.gz SNRLLPGXIDDMGQ-ZACQAIPSSA-N 0 1 368.441 0.335 20 30 FCEDMN COCC#CCN[C@@H]1CN(C(=O)CCCn2cccc2)C[C@@H]1n1ccnn1 ZINC001130142750 1201516654 /nfs/dbraw/zinc/51/66/54/1201516654.db2.gz GOMYFHPHVJMOKB-MSOLQXFVSA-N 0 1 370.457 0.551 20 30 FCEDMN C=CCO[C@@H](C)C(=O)N1C[C@@H](NCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001130151013 1201516833 /nfs/dbraw/zinc/51/68/33/1201516833.db2.gz FYONCLTUNHMZTJ-IMJJTQAJSA-N 0 1 359.434 0.144 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130158372 1201519330 /nfs/dbraw/zinc/51/93/30/1201519330.db2.gz GJOGOCVWFWJVCP-OWCLPIDISA-N 0 1 360.462 0.194 20 30 FCEDMN CC#CCN[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130161214 1201520040 /nfs/dbraw/zinc/52/00/40/1201520040.db2.gz QVYTUGUBMRBUHP-VKJFTORMSA-N 0 1 358.446 0.092 20 30 FCEDMN COc1cc(C(=O)NCc2nnc([C@H]3CCO[C@H]3CNCC#N)[nH]2)ccn1 ZINC001130221137 1201551369 /nfs/dbraw/zinc/55/13/69/1201551369.db2.gz WFMWDUPJGFHQAY-STQMWFEESA-N 0 1 371.401 0.124 20 30 FCEDMN COc1cc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3CNCC#N)n2)ccn1 ZINC001130221137 1201551372 /nfs/dbraw/zinc/55/13/72/1201551372.db2.gz WFMWDUPJGFHQAY-STQMWFEESA-N 0 1 371.401 0.124 20 30 FCEDMN CO[C@@H](CC(C)C)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130232134 1201557359 /nfs/dbraw/zinc/55/73/59/1201557359.db2.gz AKNLODZHIPGVIP-IHRRRGAJSA-N 0 1 364.450 0.468 20 30 FCEDMN CO[C@@H](CC(C)C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130232134 1201557362 /nfs/dbraw/zinc/55/73/62/1201557362.db2.gz AKNLODZHIPGVIP-IHRRRGAJSA-N 0 1 364.450 0.468 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C3CC3)n2)[nH]1 ZINC001130242059 1201562068 /nfs/dbraw/zinc/56/20/68/1201562068.db2.gz CLQAIBCANACGKI-AAEUAGOBSA-N 0 1 371.401 0.586 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C3CC3)n2)n[nH]1 ZINC001130242059 1201562075 /nfs/dbraw/zinc/56/20/75/1201562075.db2.gz CLQAIBCANACGKI-AAEUAGOBSA-N 0 1 371.401 0.586 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC23CCCC3)[nH]1 ZINC001130244697 1201564861 /nfs/dbraw/zinc/56/48/61/1201564861.db2.gz NTYFLTIIUZOLEU-IHRRRGAJSA-N 0 1 358.446 0.987 20 30 FCEDMN N#CCNC[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC001130244697 1201564862 /nfs/dbraw/zinc/56/48/62/1201564862.db2.gz NTYFLTIIUZOLEU-IHRRRGAJSA-N 0 1 358.446 0.987 20 30 FCEDMN Cc1ncc(C(=O)NCc2nnc([C@H]3CCO[C@H]3CNCC#N)[nH]2)c(C)n1 ZINC001130244652 1201564930 /nfs/dbraw/zinc/56/49/30/1201564930.db2.gz MUFBMHMMCBVCIC-JSGCOSHPSA-N 0 1 370.417 0.127 20 30 FCEDMN Cc1ncc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3CNCC#N)n2)c(C)n1 ZINC001130244652 1201564933 /nfs/dbraw/zinc/56/49/33/1201564933.db2.gz MUFBMHMMCBVCIC-JSGCOSHPSA-N 0 1 370.417 0.127 20 30 FCEDMN COCC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)F)CC1 ZINC001130264957 1201572413 /nfs/dbraw/zinc/57/24/13/1201572413.db2.gz UJGZAURYCDDJFL-WBVHZDCISA-N 0 1 367.465 0.860 20 30 FCEDMN C=CCNC(=O)CN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)C)CC1 ZINC001130271538 1201574749 /nfs/dbraw/zinc/57/47/49/1201574749.db2.gz FLWBXFGXUOAGLZ-QAPCUYQASA-N 0 1 364.490 0.420 20 30 FCEDMN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCC2CC2)CC1 ZINC001130291161 1201578606 /nfs/dbraw/zinc/57/86/06/1201578606.db2.gz ZMANISVCTGLAAC-XLIONFOSSA-N 0 1 361.486 0.912 20 30 FCEDMN C=CC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(=O)NC)CC1 ZINC001130295733 1201579286 /nfs/dbraw/zinc/57/92/86/1201579286.db2.gz PPKWKVNZLVVAQY-PBHICJAKSA-N 0 1 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1271766526 /nfs/dbraw/zinc/76/65/26/1271766526.db2.gz QZCKGNQACVUHQA-STQMWFEESA-N 0 1 350.423 0.565 20 30 FCEDMN C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001575178614 1271766952 /nfs/dbraw/zinc/76/69/52/1271766952.db2.gz PNKWNBJTKQMRJA-YPMHNXCESA-N 0 1 353.386 0.699 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCCCC2)C[C@H]1O ZINC001575177871 1271767297 /nfs/dbraw/zinc/76/72/97/1271767297.db2.gz MRKUPWYVSNWWLA-BPLDGKMQSA-N 0 1 374.445 0.145 20 30 FCEDMN C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCCCC2)C[C@H]1O ZINC001575177871 1271767300 /nfs/dbraw/zinc/76/73/00/1271767300.db2.gz MRKUPWYVSNWWLA-BPLDGKMQSA-N 0 1 374.445 0.145 20 30 FCEDMN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575179285 1271769234 /nfs/dbraw/zinc/76/92/34/1271769234.db2.gz SXWUOAJFAZUUIM-RISCZKNCSA-N 0 1 355.402 0.897 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001575179936 1271770184 /nfs/dbraw/zinc/77/01/84/1271770184.db2.gz XLVMWZHTERXKEG-DZGCQCFKSA-N 0 1 374.445 0.363 20 30 FCEDMN C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001575179936 1271770189 /nfs/dbraw/zinc/77/01/89/1271770189.db2.gz XLVMWZHTERXKEG-DZGCQCFKSA-N 0 1 374.445 0.363 20 30 FCEDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@H]3CNC[C@H]3C#N)C[C@@H]2C1 ZINC001575199706 1271781913 /nfs/dbraw/zinc/78/19/13/1271781913.db2.gz ZFJXEFXLSDAOBX-KBXIAJHMSA-N 0 1 363.462 0.996 20 30 FCEDMN C[C@@H](C(=O)NCc1c[nH]nn1)N1CC[C@@](C)(NC(=O)C#CC(C)(C)C)C1 ZINC001575222625 1271817944 /nfs/dbraw/zinc/81/79/44/1271817944.db2.gz YZGLEGZEJFVVFI-SCLBCKFNSA-N 0 1 360.462 0.440 20 30 FCEDMN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001575222299 1271818014 /nfs/dbraw/zinc/81/80/14/1271818014.db2.gz KPVBPZKZSUKTOM-VVFCZOMOSA-N 0 1 370.457 0.336 20 30 FCEDMN CC(C)C#CC(=O)N(CCO)CCNC(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001575317684 1271916075 /nfs/dbraw/zinc/91/60/75/1271916075.db2.gz CNZRBOCGIUBZKR-UHFFFAOYSA-N 0 1 361.446 0.114 20 30 FCEDMN CC(C)C#CC(=O)N(CCO)CCNC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001575317684 1271916085 /nfs/dbraw/zinc/91/60/85/1271916085.db2.gz CNZRBOCGIUBZKR-UHFFFAOYSA-N 0 1 361.446 0.114 20 30 FCEDMN CC(C)C#CC(=O)NCCCNC(=O)c1cccnc1OCc1c[nH]nn1 ZINC001575318959 1271919137 /nfs/dbraw/zinc/91/91/37/1271919137.db2.gz UMEHASUQQKCUFF-UHFFFAOYSA-N 0 1 370.413 0.674 20 30 FCEDMN CC(C)N1C(=O)CC[C@H]1C(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1 ZINC001575420353 1272078795 /nfs/dbraw/zinc/07/87/95/1272078795.db2.gz COEPWXBKIVVBRY-INIZCTEOSA-N 0 1 373.461 0.521 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001575538781 1272185718 /nfs/dbraw/zinc/18/57/18/1272185718.db2.gz AWURVTYKTWZIRH-WDEREUQCSA-N 0 1 359.390 0.234 20 30 FCEDMN C[C@H](CNC(=O)C#CC1CC1)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575566227 1272202622 /nfs/dbraw/zinc/20/26/22/1272202622.db2.gz HJHZPLJTIOJMSA-GFCCVEGCSA-N 0 1 352.398 0.762 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N(C)[C@H](CNC(=O)C#CC1CC1)C1CC1 ZINC001575717828 1272366481 /nfs/dbraw/zinc/36/64/81/1272366481.db2.gz GEAIZXXNFJGACK-MLGOLLRUSA-N 0 1 359.430 0.476 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 ZINC001575821319 1272480907 /nfs/dbraw/zinc/48/09/07/1272480907.db2.gz ABZPVTOSKOBFQZ-FZMZJTMJSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001575822552 1272482790 /nfs/dbraw/zinc/48/27/90/1272482790.db2.gz KHZSGBGKJAMOSX-NWDGAFQWSA-N 0 1 356.390 0.475 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@H]1CN(C)c1ccnc(C#N)n1 ZINC001575825726 1272486895 /nfs/dbraw/zinc/48/68/95/1272486895.db2.gz IHMKDERYDXTOPV-OCCSQVGLSA-N 0 1 370.417 0.499 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 ZINC001575862443 1272535329 /nfs/dbraw/zinc/53/53/29/1272535329.db2.gz KJJKYBBTEGMRKR-BXUZGUMPSA-N 0 1 356.390 0.157 20 30 FCEDMN CC1(C)CN(C(=O)CCOCc2c[nH]nn2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001575951021 1272589992 /nfs/dbraw/zinc/58/99/92/1272589992.db2.gz GNVGCMLGZRFQHD-MRXNPFEDSA-N 0 1 373.457 0.868 20 30 FCEDMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576051791 1272781234 /nfs/dbraw/zinc/78/12/34/1272781234.db2.gz IPRRKOKUXPCZJE-MFKMUULPSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCCc1c[nH]nn1 ZINC001576130431 1272930459 /nfs/dbraw/zinc/93/04/59/1272930459.db2.gz IVVXWNOWTBRKGD-ABAIWWIYSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCCc1cnn[nH]1 ZINC001576130431 1272930466 /nfs/dbraw/zinc/93/04/66/1272930466.db2.gz IVVXWNOWTBRKGD-ABAIWWIYSA-N 0 1 355.402 0.604 20 30 FCEDMN C[C@H]1COCC[N@H+]1C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001576378238 1273210502 /nfs/dbraw/zinc/21/05/02/1273210502.db2.gz PLNVLEKSJGKQRA-NSHDSACASA-N 0 1 355.406 0.218 20 30 FCEDMN CCCN(CCNC(=O)CCCc1c[nH]nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001576480326 1273319546 /nfs/dbraw/zinc/31/95/46/1273319546.db2.gz OUFADAWCHPEZET-UHFFFAOYSA-N 0 1 357.418 0.996 20 30 FCEDMN CCCN(CCNC(=O)CCCc1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC001576480326 1273319554 /nfs/dbraw/zinc/31/95/54/1273319554.db2.gz OUFADAWCHPEZET-UHFFFAOYSA-N 0 1 357.418 0.996 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)[C@H](C)OCc2c[nH]nn2)CCN1C(=O)C#CC(C)C ZINC001576610344 1273478931 /nfs/dbraw/zinc/47/89/31/1273478931.db2.gz JSXSPKGRKQAKLH-CWRNSKLLSA-N 0 1 361.446 0.865 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2ccc(OCc3c[nH]nn3)cc2)C1 ZINC001576953819 1273975571 /nfs/dbraw/zinc/97/55/71/1273975571.db2.gz RASOZFSYSVBIKX-INIZCTEOSA-N 0 1 369.425 0.838 20 30 FCEDMN COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001576954355 1273975797 /nfs/dbraw/zinc/97/57/97/1273975797.db2.gz VTUZPUYNEFLPDA-GJZGRUSLSA-N 0 1 352.398 0.415 20 30 FCEDMN COCc1cc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)no1 ZINC001577017415 1274067301 /nfs/dbraw/zinc/06/73/01/1274067301.db2.gz OJVWWDOLULLENQ-UHFFFAOYSA-N 0 1 359.390 0.569 20 30 FCEDMN CC[C@H](Sc1nc(CC(=O)N[C@@H]2CNC[C@H]2C#N)cs1)C(N)=O ZINC001577189286 1274236308 /nfs/dbraw/zinc/23/63/08/1274236308.db2.gz WJDVEONGLTZSCO-IEBDPFPHSA-N 0 1 353.473 0.269 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)CCCc4c[nH]nn4)[C@@H]3C2)n1 ZINC001577256382 1274285249 /nfs/dbraw/zinc/28/52/49/1274285249.db2.gz OEUQHHVWOAENFT-PHZGNYQRSA-N 0 1 366.429 0.596 20 30 FCEDMN Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)CCCc4cnn[nH]4)[C@@H]3C2)n1 ZINC001577256382 1274285252 /nfs/dbraw/zinc/28/52/52/1274285252.db2.gz OEUQHHVWOAENFT-PHZGNYQRSA-N 0 1 366.429 0.596 20 30 FCEDMN CCC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[N@H+]1CCOC ZINC001577392977 1274393233 /nfs/dbraw/zinc/39/32/33/1274393233.db2.gz NNARAIIJUCKVFC-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN CCC[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[N@@H+]1CCOC ZINC001577392977 1274393251 /nfs/dbraw/zinc/39/32/51/1274393251.db2.gz NNARAIIJUCKVFC-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN CCC[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[N@H+]1CCOC ZINC001577392977 1274393256 /nfs/dbraw/zinc/39/32/56/1274393256.db2.gz NNARAIIJUCKVFC-LBPRGKRZSA-N 0 1 357.422 0.465 20 30 FCEDMN N#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)CCCc1c[nH]nn1 ZINC001577709731 1274769960 /nfs/dbraw/zinc/76/99/60/1274769960.db2.gz ALOWKVBFYISOBS-HNNXBMFYSA-N 0 1 361.450 0.128 20 30 FCEDMN N#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)CCCc1cnn[nH]1 ZINC001577709731 1274769972 /nfs/dbraw/zinc/76/99/72/1274769972.db2.gz ALOWKVBFYISOBS-HNNXBMFYSA-N 0 1 361.450 0.128 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC[C@H](CNC(=O)CCCc3c[nH]nn3)C2)c1 ZINC001577710361 1274771264 /nfs/dbraw/zinc/77/12/64/1274771264.db2.gz ZBTKXXXPKXUNFL-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC[C@H](CNC(=O)CCCc3cnn[nH]3)C2)c1 ZINC001577710361 1274771273 /nfs/dbraw/zinc/77/12/73/1274771273.db2.gz ZBTKXXXPKXUNFL-CYBMUJFWSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCCCc4cn[nH]n4)C[C@H]32)[nH]1 ZINC001577715348 1274774239 /nfs/dbraw/zinc/77/42/39/1274774239.db2.gz NHVHSOJUJCVRIY-HALDLXJZSA-N 0 1 367.413 0.604 20 30 FCEDMN N#Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c[nH]1 ZINC001577712587 1274774769 /nfs/dbraw/zinc/77/47/69/1274774769.db2.gz RKCUICBQUZVIKR-ZDUSSCGKSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c[nH]1 ZINC001577712587 1274774777 /nfs/dbraw/zinc/77/47/77/1274774777.db2.gz RKCUICBQUZVIKR-ZDUSSCGKSA-N 0 1 369.429 0.996 20 30 FCEDMN N#Cc1ccc(NC[C@@H](NC(=O)CCOCc2c[nH]nn2)C2CC2)cn1 ZINC001577714937 1274775250 /nfs/dbraw/zinc/77/52/50/1274775250.db2.gz CLHQCZHXZFCRFC-MRXNPFEDSA-N 0 1 355.402 0.985 20 30 FCEDMN N#Cc1ccc(N2CC[C@](O)(CNC(=O)CCCc3c[nH]nn3)C2)nc1 ZINC001577715372 1274775464 /nfs/dbraw/zinc/77/54/64/1274775464.db2.gz NSZDIFLTVSUMIT-KRWDZBQOSA-N 0 1 355.402 0.152 20 30 FCEDMN N#Cc1ccc(N2CC[C@](O)(CNC(=O)CCCc3cnn[nH]3)C2)nc1 ZINC001577715372 1274775473 /nfs/dbraw/zinc/77/54/73/1274775473.db2.gz NSZDIFLTVSUMIT-KRWDZBQOSA-N 0 1 355.402 0.152 20 30 FCEDMN N#Cc1ccc(N2CCCN(C(=O)CCOCc3c[nH]nn3)CC2)nc1 ZINC001577715673 1274776131 /nfs/dbraw/zinc/77/61/31/1274776131.db2.gz SYONBNFZOXCUKL-UHFFFAOYSA-N 0 1 355.402 0.717 20 30 FCEDMN N#Cc1cncc(NC[C@@H]2CCCCN2C(=O)CCOCc2c[nH]nn2)n1 ZINC001577719035 1274782847 /nfs/dbraw/zinc/78/28/47/1274782847.db2.gz GHAFVSHAMOPDPA-HNNXBMFYSA-N 0 1 370.417 0.866 20 30 FCEDMN N#Cc1nccc(N[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]n4)cc3)C2)n1 ZINC001577719253 1274783006 /nfs/dbraw/zinc/78/30/06/1274783006.db2.gz NJJATXLVBPIOSJ-CQSZACIVSA-N 0 1 360.381 0.882 20 30 FCEDMN N#Cc1cnc(NC[C@@H](O)CNC(=O)CCCCc2cn[nH]n2)c(F)c1 ZINC001577718933 1274783203 /nfs/dbraw/zinc/78/32/03/1274783203.db2.gz BJJZWGCQHGNTJN-ZDUSSCGKSA-N 0 1 361.381 0.512 20 30 FCEDMN O=C(C#CC1CC1)N1CCN(C(=O)C2(Cc3c[nH]nn3)CCOCC2)CC1 ZINC001577745382 1274822979 /nfs/dbraw/zinc/82/29/79/1274822979.db2.gz FFCRPRPRZZVLFD-UHFFFAOYSA-N 0 1 371.441 0.228 20 30 FCEDMN O=C(C#CC1CC1)N1CCN(C(=O)C2(Cc3cnn[nH]3)CCOCC2)CC1 ZINC001577745382 1274822986 /nfs/dbraw/zinc/82/29/86/1274822986.db2.gz FFCRPRPRZZVLFD-UHFFFAOYSA-N 0 1 371.441 0.228 20 30 FCEDMN O=C(CCCCCc1cn[nH]n1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001577800520 1274904616 /nfs/dbraw/zinc/90/46/16/1274904616.db2.gz QBVVJXJVZSYPFQ-SJORKVTESA-N 0 1 373.457 0.399 20 30 FCEDMN CCOc1ccc(N(CCC#N)C(=O)Cn2cc(-c3nn[nH]n3)nn2)cc1 ZINC001578398207 1275774395 /nfs/dbraw/zinc/77/43/95/1275774395.db2.gz UEMCNYMKQIHTDK-UHFFFAOYSA-N 0 1 367.373 0.804 20 30 FCEDMN CN(CC(=O)Nc1cc(F)cc(F)c1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579010863 1276585936 /nfs/dbraw/zinc/58/59/36/1276585936.db2.gz NTWHGLGPWIRJCV-UHFFFAOYSA-N 0 1 371.311 0.881 20 30 FCEDMN CN(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579149631 1276883837 /nfs/dbraw/zinc/88/38/37/1276883837.db2.gz CDCKGOWRQPSROO-UHFFFAOYSA-N 0 1 351.374 0.670 20 30 FCEDMN CN(CCNCc1cc(-c2nn[nH]n2)ccc1F)C(=O)CSCC#N ZINC001579204894 1276991524 /nfs/dbraw/zinc/99/15/24/1276991524.db2.gz AMEDOQMXWNAEFQ-UHFFFAOYSA-N 0 1 363.422 0.811 20 30 FCEDMN CN(CCc1cccc(C#N)c1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579231396 1277038908 /nfs/dbraw/zinc/03/89/08/1277038908.db2.gz CDPABDPZBLHPMX-UHFFFAOYSA-N 0 1 369.410 0.997 20 30 FCEDMN CN(Cc1ccc(S(C)(=O)=O)cc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579253336 1277051065 /nfs/dbraw/zinc/05/10/65/1277051065.db2.gz NFIMKUCCBXWZIW-UHFFFAOYSA-N 0 1 370.398 0.568 20 30 FCEDMN COC(=O)CCN(Cc1ccncc1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579448006 1277336688 /nfs/dbraw/zinc/33/66/88/1277336688.db2.gz UPRSFNDOABIGFN-UHFFFAOYSA-N 0 1 365.357 0.493 20 30 FCEDMN COCC#CCN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001579618431 1277664521 /nfs/dbraw/zinc/66/45/21/1277664521.db2.gz KGMYCZDOJHYBMM-QAPCUYQASA-N 0 1 369.429 0.571 20 30 FCEDMN COCC#CCN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001579618427 1277665663 /nfs/dbraw/zinc/66/56/63/1277665663.db2.gz KGMYCZDOJHYBMM-CRAIPNDOSA-N 0 1 369.429 0.571 20 30 FCEDMN Cc1cc(NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)ncc1C#N ZINC001579630404 1277687557 /nfs/dbraw/zinc/68/75/57/1277687557.db2.gz TYLFDTUFJSEHOU-UHFFFAOYSA-N 0 1 357.418 0.436 20 30 FCEDMN CS(=O)(=O)C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)c1ccccc1 ZINC001580158658 1278022429 /nfs/dbraw/zinc/02/24/29/1278022429.db2.gz MVOQTJWXGIAFGM-GFCCVEGCSA-N 0 1 370.398 0.726 20 30 FCEDMN CC(C)C#CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001603190303 1287326694 /nfs/dbraw/zinc/32/66/94/1287326694.db2.gz XSVPKWAZNFJJDH-UHFFFAOYSA-N 0 1 368.445 0.969 20 30 FCEDMN CC(C)C#CC(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001603189555 1287326920 /nfs/dbraw/zinc/32/69/20/1287326920.db2.gz OQIOCDFCLXTVHC-UHFFFAOYSA-N 0 1 354.418 0.531 20 30 FCEDMN Cc1cc(N2CCCO[C@H](CNC(=O)[C@@H](C)C#N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580968564 1279170528 /nfs/dbraw/zinc/17/05/28/1279170528.db2.gz KZAAOSDIWYPGIA-WCQYABFASA-N 0 1 370.417 0.441 20 30 FCEDMN Cc1cc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970664 1279171091 /nfs/dbraw/zinc/17/10/91/1279171091.db2.gz VCFPNAOIPATFFK-UHFFFAOYSA-N 0 1 363.385 0.732 20 30 FCEDMN Cc1cc(NC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581022874 1279253558 /nfs/dbraw/zinc/25/35/58/1279253558.db2.gz IMYYPKMQGHHKKB-DOMZBBRYSA-N 0 1 365.441 0.912 20 30 FCEDMN Cc1cc(NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024489 1279256557 /nfs/dbraw/zinc/25/65/57/1279256557.db2.gz AVVYHLKVZUSQTD-JTQLQIEISA-N 0 1 365.401 0.812 20 30 FCEDMN Cn1ccnc1[C@@H](O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001581798124 1280522337 /nfs/dbraw/zinc/52/23/37/1280522337.db2.gz ZRWDINHCJLUHBP-AWEZNQCLSA-N 0 1 366.389 0.212 20 30 FCEDMN N#CCSCC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001581858548 1280611264 /nfs/dbraw/zinc/61/12/64/1280611264.db2.gz LNPXFGOTBVYADO-UHFFFAOYSA-N 0 1 358.431 0.343 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H](O)c1cc(Br)no1 ZINC001581860586 1280612552 /nfs/dbraw/zinc/61/25/52/1280612552.db2.gz IHPJKVBEXWAXRG-RXMQYKEDSA-N 0 1 366.139 0.001 20 30 FCEDMN N#Cc1c(NCc2csc(-c3nn[nH]n3)c2)n[nH]c1N1CCOCC1 ZINC001581860986 1280614444 /nfs/dbraw/zinc/61/44/44/1280614444.db2.gz COPREQHWEASBQM-UHFFFAOYSA-N 0 1 357.403 0.972 20 30 FCEDMN N#Cc1cc(C(F)(F)F)cc(NCCn2cnc(-c3nn[nH]n3)n2)n1 ZINC001581864945 1280617689 /nfs/dbraw/zinc/61/76/89/1280617689.db2.gz WVJITGYLQPGNIP-UHFFFAOYSA-N 0 1 350.268 0.856 20 30 FCEDMN N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[nH]n3)o1)C2 ZINC001581874626 1280628551 /nfs/dbraw/zinc/62/85/51/1280628551.db2.gz ZOZASTCZDHDCRV-LBPRGKRZSA-N 0 1 356.367 0.777 20 30 FCEDMN N#Cc1ncc(N2CC[C@](O)(c3ccc(F)cc3)C2)nc1-c1nn[nH]n1 ZINC001581882114 1280642548 /nfs/dbraw/zinc/64/25/48/1280642548.db2.gz LPMPLKMOHREUAB-MRXNPFEDSA-N 0 1 352.333 0.765 20 30 FCEDMN N#Cc1ncc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)nc1-c1nn[nH]n1 ZINC001581882777 1280643931 /nfs/dbraw/zinc/64/39/31/1280643931.db2.gz HBVSAYVEXUWPBI-RISCZKNCSA-N 0 1 372.776 0.688 20 30 FCEDMN N#Cc1ncc(NC[C@H](N2CCOCC2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581882520 1280645352 /nfs/dbraw/zinc/64/53/52/1280645352.db2.gz BTRHBWGIKABTHW-VIFPVBQESA-N 0 1 369.311 0.203 20 30 FCEDMN N#Cc1ncc(N2CCC(C[NH+]3CCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882371 1280645433 /nfs/dbraw/zinc/64/54/33/1280645433.db2.gz VTJSOXBMFAYIJG-UHFFFAOYSA-N 0 1 355.406 0.077 20 30 FCEDMN N#Cc1ncc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc1-c1nn[nH]n1 ZINC001581883145 1280646955 /nfs/dbraw/zinc/64/69/55/1280646955.db2.gz PGNJREXGUHAZPE-WDEREUQCSA-N 0 1 361.369 0.314 20 30 FCEDMN N#Cc1ncc(N2CCn3c(cnc3C(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581883248 1280647307 /nfs/dbraw/zinc/64/73/07/1280647307.db2.gz SQQHCRGKZSVTBI-UHFFFAOYSA-N 0 1 362.279 0.764 20 30 FCEDMN N#Cc1ncc(N2CCNC(=O)[C@H]2CC2CCCCC2)nc1-c1nn[nH]n1 ZINC001581883180 1280647922 /nfs/dbraw/zinc/64/79/22/1280647922.db2.gz QTCUSDJAVUVXCP-CYBMUJFWSA-N 0 1 367.417 0.804 20 30 FCEDMN N#Cc1ncc(NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)nc1-c1nn[nH]n1 ZINC001581883893 1280649754 /nfs/dbraw/zinc/64/97/54/1280649754.db2.gz AVHIUFBBCZQLLD-PBINXNQUSA-N 0 1 360.403 0.296 20 30 FCEDMN N#Cc1ncc(NCC2CC[NH+](C3CCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001581884253 1280649862 /nfs/dbraw/zinc/64/98/62/1280649862.db2.gz RCDBXFNSWBLRLB-UHFFFAOYSA-N 0 1 369.433 0.831 20 30 FCEDMN N#Cc1ncc(NC[C@]2(N3CCOCC3)CCSC2)nc1-c1nn[nH]n1 ZINC001581884019 1280650359 /nfs/dbraw/zinc/65/03/59/1280650359.db2.gz HFXYERYTNVCKST-OAHLLOKOSA-N 0 1 373.446 0.148 20 30 FCEDMN N#Cc1ncc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)nc1-c1nn[nH]n1 ZINC001581884152 1280650448 /nfs/dbraw/zinc/65/04/48/1280650448.db2.gz MXBRBVVBEVXTLC-YGRLFVJLSA-N 0 1 356.390 0.508 20 30 FCEDMN O=C(C#CC1CC1)N(CCO)CCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001581912660 1280716556 /nfs/dbraw/zinc/71/65/56/1280716556.db2.gz SXAFUBIOGFXDTL-UHFFFAOYSA-N 0 1 372.404 0.330 20 30 FCEDMN CC(C)[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CC[NH+](C)CC1 ZINC001603721860 1287479233 /nfs/dbraw/zinc/47/92/33/1287479233.db2.gz FTRFWBHXDAIKRJ-OAHLLOKOSA-N 0 1 365.478 0.658 20 30 FCEDMN C#C[C@@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@@H]1CCOC1 ZINC001588326531 1282417617 /nfs/dbraw/zinc/41/76/17/1282417617.db2.gz OKUDESHSNOQAOJ-MNOVXSKESA-N 0 1 368.405 0.343 20 30 FCEDMN C#C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001588331465 1282423822 /nfs/dbraw/zinc/42/38/22/1282423822.db2.gz BEFQBMGAMBOVOO-JTQLQIEISA-N 0 1 362.371 0.809 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588340709 1282435412 /nfs/dbraw/zinc/43/54/12/1282435412.db2.gz BPFPGBKJKZYLAK-JOCQHMNTSA-N 0 1 354.418 0.721 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588341498 1282436343 /nfs/dbraw/zinc/43/63/43/1282436343.db2.gz JLPSKQUYSLFJRE-OLZOCXBDSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001588341497 1282436743 /nfs/dbraw/zinc/43/67/43/1282436743.db2.gz JLPSKQUYSLFJRE-CHWSQXEVSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001588341500 1282438742 /nfs/dbraw/zinc/43/87/42/1282438742.db2.gz JLPSKQUYSLFJRE-STQMWFEESA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588342548 1282439127 /nfs/dbraw/zinc/43/91/27/1282439127.db2.gz MYSOFLCASKZZFG-ZDUSSCGKSA-N 0 1 370.417 0.172 20 30 FCEDMN C#CCCCCCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344672 1282439547 /nfs/dbraw/zinc/43/95/47/1282439547.db2.gz ZKLXEUIQFKPGLT-ZIAGYGMSSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344031 1282439787 /nfs/dbraw/zinc/43/97/87/1282439787.db2.gz ZCBDAXSWRHTREX-ZDUSSCGKSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCCCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588344220 1282440633 /nfs/dbraw/zinc/44/06/33/1282440633.db2.gz ILBQTUVPQMKISJ-ZDUSSCGKSA-N 0 1 354.418 0.675 20 30 FCEDMN C#CCCCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588343134 1282440981 /nfs/dbraw/zinc/44/09/81/1282440981.db2.gz ZCBDAXSWRHTREX-CYBMUJFWSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355151 1282452603 /nfs/dbraw/zinc/45/26/03/1282452603.db2.gz FPLRWDONKNLQQM-NWDGAFQWSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588355151 1282452610 /nfs/dbraw/zinc/45/26/10/1282452610.db2.gz FPLRWDONKNLQQM-NWDGAFQWSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588355834 1282455211 /nfs/dbraw/zinc/45/52/11/1282455211.db2.gz NMTLKCFGTWRQDA-BBRMVZONSA-N 0 1 354.414 0.596 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001588355716 1282455874 /nfs/dbraw/zinc/45/58/74/1282455874.db2.gz LODFWHSKQPBMCN-SWLSCSKDSA-N 0 1 372.404 0.735 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001588356684 1282460416 /nfs/dbraw/zinc/46/04/16/1282460416.db2.gz DSMLKGIFFKSPCT-CYBMUJFWSA-N 0 1 354.414 0.453 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001588356492 1282460876 /nfs/dbraw/zinc/46/08/76/1282460876.db2.gz XTRNMYBGXCVSQN-FZMZJTMJSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001588356492 1282460881 /nfs/dbraw/zinc/46/08/81/1282460881.db2.gz XTRNMYBGXCVSQN-FZMZJTMJSA-N 0 1 374.470 0.951 20 30 FCEDMN C#CCO[C@H](C)C(=O)NCCCN(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001588357068 1282463289 /nfs/dbraw/zinc/46/32/89/1282463289.db2.gz JAURKDXMGSNWAZ-CYBMUJFWSA-N 0 1 374.420 0.982 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1 ZINC001588356835 1282463889 /nfs/dbraw/zinc/46/38/89/1282463889.db2.gz GOBORYFMDDURMU-HOCLYGCPSA-N 0 1 368.441 0.938 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588357921 1282466888 /nfs/dbraw/zinc/46/68/88/1282466888.db2.gz QJJUNOATEDZVER-QWHCGFSZSA-N 0 1 355.402 0.303 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588358546 1282470286 /nfs/dbraw/zinc/47/02/86/1282470286.db2.gz YYQCUMLOYCUESH-HZSPNIEDSA-N 0 1 369.429 0.419 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588359454 1282474011 /nfs/dbraw/zinc/47/40/11/1282474011.db2.gz OQNOXXDEJLWNBL-GFCCVEGCSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCOCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588359454 1282474015 /nfs/dbraw/zinc/47/40/15/1282474015.db2.gz OQNOXXDEJLWNBL-GFCCVEGCSA-N 0 1 362.459 0.905 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588360149 1282478707 /nfs/dbraw/zinc/47/87/07/1282478707.db2.gz JRLXGOBERACZIS-IHRRRGAJSA-N 0 1 369.429 0.561 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588361287 1282482461 /nfs/dbraw/zinc/48/24/61/1282482461.db2.gz JLCCHKVOCLLOHW-HNNXBMFYSA-N 0 1 355.402 0.030 20 30 FCEDMN C#CCOCCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361918 1282484204 /nfs/dbraw/zinc/48/42/04/1282484204.db2.gz UNILOXQIERJBHM-GFCCVEGCSA-N 0 1 357.418 0.339 20 30 FCEDMN C#CCOCCC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361919 1282485255 /nfs/dbraw/zinc/48/52/55/1282485255.db2.gz UNILOXQIERJBHM-LBPRGKRZSA-N 0 1 357.418 0.339 20 30 FCEDMN C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362906 1282489785 /nfs/dbraw/zinc/48/97/85/1282489785.db2.gz YFDOLPJZCWDPQE-OKILXGFUSA-N 0 1 369.429 0.339 20 30 FCEDMN C#Cc1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001588365273 1282492319 /nfs/dbraw/zinc/49/23/19/1282492319.db2.gz RZVVQVZWOCIBFY-UHFFFAOYSA-N 0 1 363.385 0.241 20 30 FCEDMN C#Cc1ccc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)nc1 ZINC001588371356 1282492923 /nfs/dbraw/zinc/49/29/23/1282492923.db2.gz DVNULVHABFGCCL-UHFFFAOYSA-N 0 1 360.381 0.434 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001588370069 1282492963 /nfs/dbraw/zinc/49/29/63/1282492963.db2.gz LGRAGMNBQSXODK-BETUJISGSA-N 0 1 360.381 0.433 20 30 FCEDMN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001588368732 1282494236 /nfs/dbraw/zinc/49/42/36/1282494236.db2.gz XONONAABJXMIJP-LLVKDONJSA-N 0 1 363.385 0.288 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588391305 1282497054 /nfs/dbraw/zinc/49/70/54/1282497054.db2.gz HUEICBYRFFLQRP-GFCCVEGCSA-N 0 1 359.434 0.517 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)OCC ZINC001588403276 1282499551 /nfs/dbraw/zinc/49/95/51/1282499551.db2.gz ZEVULJIEFGSCGT-CYBMUJFWSA-N 0 1 374.449 0.923 20 30 FCEDMN C=C(C)CCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588412579 1282501866 /nfs/dbraw/zinc/50/18/66/1282501866.db2.gz XZTOTQUYDGWIPY-CYBMUJFWSA-N 0 1 357.418 0.679 20 30 FCEDMN C=C(C)CCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001588410120 1282503178 /nfs/dbraw/zinc/50/31/78/1282503178.db2.gz MEGDYJMBSRRBTC-CHWSQXEVSA-N 0 1 356.434 0.941 20 30 FCEDMN C=C1CC(C)(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588448447 1282507269 /nfs/dbraw/zinc/50/72/69/1282507269.db2.gz ZCEBIFYCRBMLBM-UHFFFAOYSA-N 0 1 354.418 0.836 20 30 FCEDMN C=C1CC(C)(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588448894 1282508464 /nfs/dbraw/zinc/50/84/64/1282508464.db2.gz HEDGCNFIKWSJAQ-GFCCVEGCSA-N 0 1 354.418 0.695 20 30 FCEDMN C=CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001588477881 1282516277 /nfs/dbraw/zinc/51/62/77/1282516277.db2.gz JHCKBMWWIPFNSR-GHMZBOCLSA-N 0 1 358.406 0.189 20 30 FCEDMN C=CC(C)(C)CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588484582 1282518923 /nfs/dbraw/zinc/51/89/23/1282518923.db2.gz IFGIHYCDPOHFOV-UHFFFAOYSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001588480983 1282521010 /nfs/dbraw/zinc/52/10/10/1282521010.db2.gz GXEWOGQZZQBETD-GFCCVEGCSA-N 0 1 359.434 0.517 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588493666 1282523218 /nfs/dbraw/zinc/52/32/18/1282523218.db2.gz JVPOTZAEKHCZPR-SJCJKPOMSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588498481 1282526271 /nfs/dbraw/zinc/52/62/71/1282526271.db2.gz AIABQOMAMIFXAO-SJKOYZFVSA-N 0 1 372.433 0.269 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588500219 1282531794 /nfs/dbraw/zinc/53/17/94/1282531794.db2.gz SWGYPKVTYNJPKZ-KRWDZBQOSA-N 0 1 357.418 0.414 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501148 1282535421 /nfs/dbraw/zinc/53/54/21/1282535421.db2.gz KHVMQXADKRYBEY-BDJLRTHQSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588501151 1282535566 /nfs/dbraw/zinc/53/55/66/1282535566.db2.gz KHVMQXADKRYBEY-ZBEGNZNMSA-N 0 1 358.406 0.069 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588502134 1282538540 /nfs/dbraw/zinc/53/85/40/1282538540.db2.gz QLRTXAWWNMLENJ-SJKOYZFVSA-N 0 1 357.418 0.414 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588503490 1282539675 /nfs/dbraw/zinc/53/96/75/1282539675.db2.gz YZYJHJJVZQUEQP-SJKOYZFVSA-N 0 1 359.434 0.838 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCCCN(CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001588503610 1282541770 /nfs/dbraw/zinc/54/17/70/1282541770.db2.gz AULOCYVVVXWRRI-INIZCTEOSA-N 0 1 360.422 0.316 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588503929 1282543118 /nfs/dbraw/zinc/54/31/18/1282543118.db2.gz HZHTURFYCYEIMQ-YJBOKZPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588505223 1282545191 /nfs/dbraw/zinc/54/51/91/1282545191.db2.gz NPKPJYCIUMNPMX-VCMHEYGDSA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588505243 1282545387 /nfs/dbraw/zinc/54/53/87/1282545387.db2.gz OCPBECVWNGTWGK-KRWDZBQOSA-N 0 1 372.433 0.316 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588504944 1282546047 /nfs/dbraw/zinc/54/60/47/1282546047.db2.gz MYMQMJJTSVEDOP-PXAZEXFGSA-N 0 1 357.418 0.531 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1ccncc1-c1nn[nH]n1 ZINC001588505393 1282546183 /nfs/dbraw/zinc/54/61/83/1282546183.db2.gz PVRDWFLDQHEGPG-QGZVFWFLSA-N 0 1 359.434 0.921 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1CC ZINC001588507943 1282551835 /nfs/dbraw/zinc/55/18/35/1282551835.db2.gz MUMZJQUTPSHLEU-XWCIJXRUSA-N 0 1 372.433 0.457 20 30 FCEDMN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588522514 1282555323 /nfs/dbraw/zinc/55/53/23/1282555323.db2.gz AUFHSHYLSVFGNO-JHJVBQTASA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588542048 1282563727 /nfs/dbraw/zinc/56/37/27/1282563727.db2.gz WCTXCFNNZHLEGF-CYBMUJFWSA-N 0 1 354.418 0.860 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001588587071 1282574959 /nfs/dbraw/zinc/57/49/59/1282574959.db2.gz QJIVHEIPVIXIRO-ZBFHGGJFSA-N 0 1 371.445 0.982 20 30 FCEDMN C=CCCO[C@H](C)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588608205 1282581749 /nfs/dbraw/zinc/58/17/49/1282581749.db2.gz HPEVZSQVEIHZGK-IYXRBSQSSA-N 0 1 371.445 0.972 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001588611112 1282589339 /nfs/dbraw/zinc/58/93/39/1282589339.db2.gz QWPITPUJCPBRJI-UKRRQHHQSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001588611481 1282589802 /nfs/dbraw/zinc/58/98/02/1282589802.db2.gz TYAWONLGBVVBES-UKRRQHHQSA-N 0 1 371.445 0.986 20 30 FCEDMN C=CCCOCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588611594 1282591037 /nfs/dbraw/zinc/59/10/37/1282591037.db2.gz UPYHOCDUSYLXKU-LBPRGKRZSA-N 0 1 358.406 0.287 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588667150 1282623949 /nfs/dbraw/zinc/62/39/49/1282623949.db2.gz RPPRMURIUBOWCP-CQSZACIVSA-N 0 1 371.445 0.845 20 30 FCEDMN C=CCOCC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588671967 1282629110 /nfs/dbraw/zinc/62/91/10/1282629110.db2.gz QAADPUFUHBPKHA-ZDUSSCGKSA-N 0 1 372.433 0.677 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001588676607 1282634013 /nfs/dbraw/zinc/63/40/13/1282634013.db2.gz XIXUQVYXAGJNCA-TZMCWYRMSA-N 0 1 371.445 0.961 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001588701013 1282651998 /nfs/dbraw/zinc/65/19/98/1282651998.db2.gz ZPCJWJQJMCBPNF-PWSUYJOCSA-N 0 1 368.405 0.650 20 30 FCEDMN C=CCn1cc(C(=O)NC[C@H](CC)Nc2ccncc2-c2nn[nH]n2)nn1 ZINC001588713613 1282660280 /nfs/dbraw/zinc/66/02/80/1282660280.db2.gz OGYRKVPEQADWCQ-NSHDSACASA-N 0 1 368.405 0.082 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588719094 1282665200 /nfs/dbraw/zinc/66/52/00/1282665200.db2.gz XIGTYMXYDSQKGK-DOMZBBRYSA-N 0 1 357.418 0.747 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588724112 1282670349 /nfs/dbraw/zinc/67/03/49/1282670349.db2.gz VIXKWEXFAHRHNM-RISCZKNCSA-N 0 1 355.402 0.335 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588724174 1282672469 /nfs/dbraw/zinc/67/24/69/1282672469.db2.gz WZZYAUBJKLTYEY-NEPJUHHUSA-N 0 1 358.406 0.190 20 30 FCEDMN C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001638313847 1282682960 /nfs/dbraw/zinc/68/29/60/1282682960.db2.gz YOIGADIRCSXIIY-UONOGXRCSA-N 0 1 373.457 0.980 20 30 FCEDMN C[C@H](C(=O)OCC(=O)Cc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589027113 1282778283 /nfs/dbraw/zinc/77/82/83/1282778283.db2.gz LUJIUVDFWFYUOC-SNVBAGLBSA-N 0 1 366.341 0.246 20 30 FCEDMN CC(C)(C)C#CC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001589068061 1282791463 /nfs/dbraw/zinc/79/14/63/1282791463.db2.gz KKEVHRJTPLNVCQ-CQSZACIVSA-N 0 1 374.420 0.622 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589157464 1282812255 /nfs/dbraw/zinc/81/22/55/1282812255.db2.gz BNYURLCPNYXQNY-VHSXEESVSA-N 0 1 357.378 0.250 20 30 FCEDMN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC001640000766 1282831169 /nfs/dbraw/zinc/83/11/69/1282831169.db2.gz HVLHHAAQOAXEIS-HUUCEWRRSA-N 0 1 364.423 0.558 20 30 FCEDMN CC(C)C#CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001589380027 1282855604 /nfs/dbraw/zinc/85/56/04/1282855604.db2.gz JMNHJMYBCBFCGX-UHFFFAOYSA-N 0 1 354.418 0.743 20 30 FCEDMN CC(C)C#CC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589385255 1282859261 /nfs/dbraw/zinc/85/92/61/1282859261.db2.gz YCFARMOYFYWKOS-AWEZNQCLSA-N 0 1 368.445 0.921 20 30 FCEDMN CC(C)C#CC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001589387164 1282863368 /nfs/dbraw/zinc/86/33/68/1282863368.db2.gz HGCCSZLVVXZCNO-CYBMUJFWSA-N 0 1 354.418 0.791 20 30 FCEDMN C[C@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001590169835 1283265001 /nfs/dbraw/zinc/26/50/01/1283265001.db2.gz DNQXVYRKKLGGGG-WDEREUQCSA-N 0 1 373.446 0.387 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001604495730 1287649555 /nfs/dbraw/zinc/64/95/55/1287649555.db2.gz KCXUBULGJVWNFX-WDEREUQCSA-N 0 1 373.446 0.387 20 30 FCEDMN CCCC(=O)NC[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001590538086 1283597740 /nfs/dbraw/zinc/59/77/40/1283597740.db2.gz VLZINWDHEFANQC-NSHDSACASA-N 0 1 355.406 0.661 20 30 FCEDMN CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)CSCC#N ZINC001590711044 1283745868 /nfs/dbraw/zinc/74/58/68/1283745868.db2.gz MBSOEYFWDKUJFI-UHFFFAOYSA-N 0 1 360.447 0.509 20 30 FCEDMN CCOC(=O)[C@H]1CCCCN1C(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N ZINC001590758721 1283819624 /nfs/dbraw/zinc/81/96/24/1283819624.db2.gz YJRFTNRKWQBHNH-LLVKDONJSA-N 0 1 372.389 0.188 20 30 FCEDMN CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001590825823 1283907249 /nfs/dbraw/zinc/90/72/49/1283907249.db2.gz SRNHCRGBXCLVBE-SECBINFHSA-N 0 1 354.330 0.895 20 30 FCEDMN COCC#CCN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001591362990 1284499391 /nfs/dbraw/zinc/49/93/91/1284499391.db2.gz YOTOQNYLPVPWET-STQMWFEESA-N 0 1 357.418 0.427 20 30 FCEDMN COC[C@@H](C#N)OC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001591367608 1284506150 /nfs/dbraw/zinc/50/61/50/1284506150.db2.gz ASXYGDRYJXSTKX-LLVKDONJSA-N 0 1 361.362 0.461 20 30 FCEDMN COc1ccc(N2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)cc1 ZINC001591607198 1284765634 /nfs/dbraw/zinc/76/56/34/1284765634.db2.gz DGUXCMFHBUWMFV-UHFFFAOYSA-N 0 1 363.385 0.864 20 30 FCEDMN Cc1c(C=NNC[C@@H](C)O)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC001591817970 1284923439 /nfs/dbraw/zinc/92/34/39/1284923439.db2.gz WJVDVWVDJLCZEZ-SECBINFHSA-N 0 1 366.385 0.574 20 30 FCEDMN Cc1cc(NC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)n(C(C)(C)C)n1 ZINC001592020706 1285073568 /nfs/dbraw/zinc/07/35/68/1285073568.db2.gz XEZJBOJZXUVWGA-UHFFFAOYSA-N 0 1 369.393 0.416 20 30 FCEDMN Cc1cc(NCCOCCN(C)C(=O)C#CC2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592050989 1285096998 /nfs/dbraw/zinc/09/69/98/1285096998.db2.gz WBPGSNJZVWZWAD-UHFFFAOYSA-N 0 1 369.429 0.292 20 30 FCEDMN Cc1cc(NCCOCCN(C)C(=O)C#CC(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592050980 1285097801 /nfs/dbraw/zinc/09/78/01/1285097801.db2.gz VUQXVLMRJAYXMD-UHFFFAOYSA-N 0 1 371.445 0.538 20 30 FCEDMN Cc1ccc(C(=O)C=CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001592115431 1285149398 /nfs/dbraw/zinc/14/93/98/1285149398.db2.gz HNTCCDOBFONQNL-VOTSOKGWSA-N 0 1 352.358 0.322 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)c1ccc(NC(N)=O)cc1 ZINC001592335405 1285243736 /nfs/dbraw/zinc/24/37/36/1285243736.db2.gz QXEJPEFSCDZNLK-UHFFFAOYSA-N 0 1 351.330 0.617 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592678948 1285574069 /nfs/dbraw/zinc/57/40/69/1285574069.db2.gz ABODNXNSMVQCCN-CQSZACIVSA-N 0 1 357.443 0.814 20 30 FCEDMN N#CCSCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592681418 1285580446 /nfs/dbraw/zinc/58/04/46/1285580446.db2.gz AZILVWRBNPZCKP-AOOOYVTPSA-N 0 1 363.472 0.922 20 30 FCEDMN N#CCSCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001592681418 1285580452 /nfs/dbraw/zinc/58/04/52/1285580452.db2.gz AZILVWRBNPZCKP-AOOOYVTPSA-N 0 1 363.472 0.922 20 30 FCEDMN N#Cc1cc(F)ccc1N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592689903 1285586695 /nfs/dbraw/zinc/58/66/95/1285586695.db2.gz XOZBEHBEUKCDLJ-UHFFFAOYSA-N 0 1 351.349 0.994 20 30 FCEDMN N#Cc1ccc(N[C@H]2CCCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)nc1 ZINC001592696207 1285588151 /nfs/dbraw/zinc/58/81/51/1285588151.db2.gz PFGLKXHUOBOBHE-LBPRGKRZSA-N 0 1 373.384 0.876 20 30 FCEDMN N#Cc1ncc(N2CCC[C@@H](c3nnc4ccccn43)C2)nc1-c1nn[nH]n1 ZINC001592708526 1285593661 /nfs/dbraw/zinc/59/36/61/1285593661.db2.gz XMMXZLXPQWJBKX-LLVKDONJSA-N 0 1 373.384 0.955 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001592766786 1285689029 /nfs/dbraw/zinc/68/90/29/1285689029.db2.gz TVEWTKFYWVRZRK-QWHCGFSZSA-N 0 1 350.386 0.107 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001592767744 1285690578 /nfs/dbraw/zinc/69/05/78/1285690578.db2.gz JELYESCAGQUTJH-CHWSQXEVSA-N 0 1 352.402 0.331 20 30 FCEDMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001596053615 1286283091 /nfs/dbraw/zinc/28/30/91/1286283091.db2.gz NARMSWHNBYHDLD-UHFFFAOYSA-N 0 1 369.425 0.977 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(C(=O)[O-])c1 ZINC001601112933 1286638109 /nfs/dbraw/zinc/63/81/09/1286638109.db2.gz VFVPCCGDLVGHOG-QWHCGFSZSA-N 0 1 365.411 0.086 20 30 FCEDMN C#CC[C@]1(C(=O)NCC[N@H+](C)CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001602698569 1287062311 /nfs/dbraw/zinc/06/23/11/1287062311.db2.gz LNKQURUDGAAHBH-GOSISDBHSA-N 0 1 367.446 0.912 20 30 FCEDMN C#CCCCCC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602709554 1287068412 /nfs/dbraw/zinc/06/84/12/1287068412.db2.gz GTSQFMZVBPSIAO-UHFFFAOYSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602724891 1287083882 /nfs/dbraw/zinc/08/38/82/1287083882.db2.gz HPPOCICAVNZLGD-PNESKVBLSA-N 0 1 355.402 0.123 20 30 FCEDMN C#CCO[C@H](C)C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602725640 1287084812 /nfs/dbraw/zinc/08/48/12/1287084812.db2.gz LNSDFSUUBNKCSL-CHWSQXEVSA-N 0 1 355.402 0.125 20 30 FCEDMN C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001602725829 1287087114 /nfs/dbraw/zinc/08/71/14/1287087114.db2.gz NKZQXOITHFVGMI-SWLSCSKDSA-N 0 1 357.418 0.275 20 30 FCEDMN C#CCOCCC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001602727776 1287095341 /nfs/dbraw/zinc/09/53/41/1287095341.db2.gz SAGQLQXWBUJXSB-UHFFFAOYSA-N 0 1 355.402 0.126 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001602735852 1287098257 /nfs/dbraw/zinc/09/82/57/1287098257.db2.gz UJTRCTIAIJZUNW-SJKOYZFVSA-N 0 1 374.408 0.633 20 30 FCEDMN C#Cc1ccc(C(=O)NCCCN(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001602739752 1287100601 /nfs/dbraw/zinc/10/06/01/1287100601.db2.gz OENFGJDNYKYGBR-UHFFFAOYSA-N 0 1 363.385 0.289 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602770026 1287109170 /nfs/dbraw/zinc/10/91/70/1287109170.db2.gz RDCZLDMTXJLSGF-OBJOEFQTSA-N 0 1 370.417 0.333 20 30 FCEDMN C=CC(C)(C)CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602784994 1287115642 /nfs/dbraw/zinc/11/56/42/1287115642.db2.gz JINWNKZILLFMMJ-UHFFFAOYSA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001602790976 1287117415 /nfs/dbraw/zinc/11/74/15/1287117415.db2.gz WWHJYCYHSZFRBV-YVEFUNNKSA-N 0 1 372.433 0.580 20 30 FCEDMN C=CCC1(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001602818029 1287124439 /nfs/dbraw/zinc/12/44/39/1287124439.db2.gz YQQJCICMJGTQGE-ZDUSSCGKSA-N 0 1 371.445 0.709 20 30 FCEDMN C=CCCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602825264 1287126859 /nfs/dbraw/zinc/12/68/59/1287126859.db2.gz VXKVMYBAHPSWCO-INIZCTEOSA-N 0 1 358.406 0.070 20 30 FCEDMN C=CCCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602825265 1287127217 /nfs/dbraw/zinc/12/72/17/1287127217.db2.gz VXKVMYBAHPSWCO-MRXNPFEDSA-N 0 1 358.406 0.070 20 30 FCEDMN C=CCCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001602834149 1287128389 /nfs/dbraw/zinc/12/83/89/1287128389.db2.gz IGYBTWXZWSUAQS-CVEARBPZSA-N 0 1 356.430 0.884 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602841028 1287130150 /nfs/dbraw/zinc/13/01/50/1287130150.db2.gz KWUAFHYAMOFIMA-RYUDHWBXSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602841027 1287130846 /nfs/dbraw/zinc/13/08/46/1287130846.db2.gz KWUAFHYAMOFIMA-NWDGAFQWSA-N 0 1 358.406 0.073 20 30 FCEDMN C=CCCOCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602844194 1287134557 /nfs/dbraw/zinc/13/45/57/1287134557.db2.gz LOEFWILZMXQLRU-CHWSQXEVSA-N 0 1 372.433 0.178 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602844203 1287134581 /nfs/dbraw/zinc/13/45/81/1287134581.db2.gz LRCWHAQYIOQYAX-QWHCGFSZSA-N 0 1 372.433 0.511 20 30 FCEDMN C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001602850717 1287136151 /nfs/dbraw/zinc/13/61/51/1287136151.db2.gz SUTFKYFIQBSTPD-UONOGXRCSA-N 0 1 373.465 0.834 20 30 FCEDMN C=CCOCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001602866972 1287140627 /nfs/dbraw/zinc/14/06/27/1287140627.db2.gz QXGHSIYWEDKJSR-OLZOCXBDSA-N 0 1 357.418 0.596 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602891849 1287149202 /nfs/dbraw/zinc/14/92/02/1287149202.db2.gz JVBOXBZXCZSGIG-KGLIPLIRSA-N 0 1 368.445 0.921 20 30 FCEDMN CC#CCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001602892569 1287149700 /nfs/dbraw/zinc/14/97/00/1287149700.db2.gz VTUBYGDUPXNUMC-QWHCGFSZSA-N 0 1 354.418 0.674 20 30 FCEDMN CC(=O)Nc1cccc(NC(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001602956403 1287170598 /nfs/dbraw/zinc/17/05/98/1287170598.db2.gz NVLNOMJGOOMZAR-UHFFFAOYSA-N 0 1 365.357 0.840 20 30 FCEDMN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001602982984 1287174834 /nfs/dbraw/zinc/17/48/34/1287174834.db2.gz CWIUDYBRWNIZQF-PSTGCABASA-N 0 1 367.417 0.682 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603051519 1287198177 /nfs/dbraw/zinc/19/81/77/1287198177.db2.gz NQCDTUJTOLFUIX-SFHVURJKSA-N 0 1 368.445 0.779 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C#N ZINC001604892377 1287808483 /nfs/dbraw/zinc/80/84/83/1287808483.db2.gz MUCOOYAQLNDZDA-UHFFFAOYSA-N 0 1 355.362 0.767 20 30 FCEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C#N ZINC001604892377 1287808487 /nfs/dbraw/zinc/80/84/87/1287808487.db2.gz MUCOOYAQLNDZDA-UHFFFAOYSA-N 0 1 355.362 0.767 20 30 FCEDMN Cc1cc(NC[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605727217 1288063632 /nfs/dbraw/zinc/06/36/32/1288063632.db2.gz UZUNZQUCLSUFKM-JTQLQIEISA-N 0 1 365.401 0.670 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCc1ccc(F)cc1 ZINC001609445808 1289155996 /nfs/dbraw/zinc/15/59/96/1289155996.db2.gz VLZQHDPSBVXCJL-UHFFFAOYSA-N 0 1 354.349 0.741 20 30 FCEDMN CN(C)S(=O)(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001606039480 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/nfs/dbraw/zinc/82/10/35/1271821035.db2.gz SULYFKSBFNBRDJ-KGLIPLIRSA-N 0 1 360.462 0.440 20 30 FCEDMN CC(C)(C)C#CC(=O)NC1CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001575246381 1271850800 /nfs/dbraw/zinc/85/08/00/1271850800.db2.gz MEGFYXFABRHJDK-UHFFFAOYSA-N 0 1 361.446 0.868 20 30 FCEDMN CC(C)C#CC(=O)N(Cc1c[nH]nn1)C1CCN([C@H]2CCNC2=O)CC1 ZINC001575317913 1271917456 /nfs/dbraw/zinc/91/74/56/1271917456.db2.gz CVOJVZVKKIVEGH-INIZCTEOSA-N 0 1 358.446 0.146 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575318696 1271918158 /nfs/dbraw/zinc/91/81/58/1271918158.db2.gz OYBQJYWNWYXCQC-IRXDYDNUSA-N 0 1 372.473 0.488 20 30 FCEDMN CC(C)C#CC(=O)N1CC(CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575319198 1271921184 /nfs/dbraw/zinc/92/11/84/1271921184.db2.gz ZUPCYDQWHWQOKY-INIZCTEOSA-N 0 1 358.446 0.003 20 30 FCEDMN C[C@@H](Oc1ccc(Oc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1)C(N)=O ZINC001575493268 1272168048 /nfs/dbraw/zinc/16/80/48/1272168048.db2.gz JGHLNTKKNWRREA-MRVPVSSYSA-N 0 1 352.314 0.573 20 30 FCEDMN C[C@]1([C@@H]2CCCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)COC(=O)N1 ZINC001575753248 1272416588 /nfs/dbraw/zinc/41/65/88/1272416588.db2.gz ZVGJSXXGNCARMG-RFAUZJTJSA-N 0 1 355.362 0.243 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC(C)(C)CN(C)C(=O)C#CC1CC1 ZINC001575845500 1272520197 /nfs/dbraw/zinc/52/01/97/1272520197.db2.gz GBEIVKCBWBHJIM-ZDUSSCGKSA-N 0 1 361.446 0.724 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001575862657 1272534833 /nfs/dbraw/zinc/53/48/33/1272534833.db2.gz MYYQBNBGJXVSAG-GFCCVEGCSA-N 0 1 370.417 0.404 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1 ZINC001575881034 1272545569 /nfs/dbraw/zinc/54/55/69/1272545569.db2.gz ZWOIHUDKIFQFAB-SLEUVZQESA-N 0 1 355.402 0.983 20 30 FCEDMN C[C@]1(CNC(=O)CCCc2c[nH]nn2)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575980092 1272638119 /nfs/dbraw/zinc/63/81/19/1272638119.db2.gz PTAGMAQXGNYCOW-GOSISDBHSA-N 0 1 369.429 0.996 20 30 FCEDMN C[C@]1(CNC(=O)CCCc2cnn[nH]2)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575980092 1272638127 /nfs/dbraw/zinc/63/81/27/1272638127.db2.gz PTAGMAQXGNYCOW-GOSISDBHSA-N 0 1 369.429 0.996 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)CCN1C(=O)C#CC1CC1 ZINC001576025981 1272729626 /nfs/dbraw/zinc/72/96/26/1272729626.db2.gz JILSVJSYFIWORM-DOMZBBRYSA-N 0 1 364.409 0.999 20 30 FCEDMN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576038091 1272753359 /nfs/dbraw/zinc/75/33/59/1272753359.db2.gz HODFUONEMHLPKW-UKRRQHHQSA-N 0 1 359.430 0.621 20 30 FCEDMN C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576063500 1272814190 /nfs/dbraw/zinc/81/41/90/1272814190.db2.gz SYAUUWDARLHFII-QWHCGFSZSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576063498 1272814214 /nfs/dbraw/zinc/81/42/14/1272814214.db2.gz SYAUUWDARLHFII-OLZOCXBDSA-N 0 1 370.417 0.865 20 30 FCEDMN C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCOCc1c[nH]nn1 ZINC001576063502 1272815585 /nfs/dbraw/zinc/81/55/85/1272815585.db2.gz SYAUUWDARLHFII-STQMWFEESA-N 0 1 370.417 0.865 20 30 FCEDMN CC[C@H](CNC(=O)C#CC(C)C)NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001576235782 1273003378 /nfs/dbraw/zinc/00/33/78/1273003378.db2.gz FLEYRMFCGOLVMW-ZBFHGGJFSA-N 0 1 360.462 0.440 20 30 FCEDMN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576300513 1273112033 /nfs/dbraw/zinc/11/20/33/1273112033.db2.gz YBLSJQUAAPGPNN-MEBBXXQBSA-N 0 1 363.385 0.456 20 30 FCEDMN CCCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001576480584 1273318625 /nfs/dbraw/zinc/31/86/25/1273318625.db2.gz SENRUKWBRFUOBB-GFCCVEGCSA-N 0 1 373.417 0.578 20 30 FCEDMN CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@@H](C)OCc3c[nH]nn3)C2)n1 ZINC001576657355 1273519522 /nfs/dbraw/zinc/51/95/22/1273519522.db2.gz LZLRMOQVEOIYGW-VXGBXAGGSA-N 0 1 370.417 0.329 20 30 FCEDMN CN(C(=O)CCCc1c[nH]nn1)C1CC(NC(=O)CSCC#N)C1 ZINC001576718765 1273587716 /nfs/dbraw/zinc/58/77/16/1273587716.db2.gz KEEJMLNJJSJTTA-UHFFFAOYSA-N 0 1 350.448 0.490 20 30 FCEDMN CN(C(=O)CCCc1cnn[nH]1)C1CC(NC(=O)CSCC#N)C1 ZINC001576718765 1273587722 /nfs/dbraw/zinc/58/77/22/1273587722.db2.gz KEEJMLNJJSJTTA-UHFFFAOYSA-N 0 1 350.448 0.490 20 30 FCEDMN CN(CCN(C)c1nccnc1C#N)C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001576815418 1273732385 /nfs/dbraw/zinc/73/23/85/1273732385.db2.gz CCCDJDPFFSGFKL-UHFFFAOYSA-N 0 1 363.385 0.737 20 30 FCEDMN CN(CCNC(=O)CSCC#N)C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001576824107 1273747986 /nfs/dbraw/zinc/74/79/86/1273747986.db2.gz OMIXBCCVPLIYFF-UHFFFAOYSA-N 0 1 359.415 0.312 20 30 FCEDMN CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001576864325 1273831001 /nfs/dbraw/zinc/83/10/01/1273831001.db2.gz SSVRWFJROWBGTJ-NSHDSACASA-N 0 1 351.374 0.504 20 30 FCEDMN COc1c[nH]c(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)cc1=O ZINC001577039173 1274102143 /nfs/dbraw/zinc/10/21/43/1274102143.db2.gz XSEBEJWJIDNCGF-UHFFFAOYSA-N 0 1 371.401 0.132 20 30 FCEDMN C[C@@H]1[C@@H](NC(=O)CCOCc2c[nH]nn2)CCN1c1cncc(C#N)n1 ZINC001577180097 1274232406 /nfs/dbraw/zinc/23/24/06/1274232406.db2.gz NYEBKJRIQSKXPI-RISCZKNCSA-N 0 1 356.390 0.157 20 30 FCEDMN Cc1cc(N[C@H]2C[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c(C#N)cn1 ZINC001577349010 1274360306 /nfs/dbraw/zinc/36/03/06/1274360306.db2.gz XLAYVJQNYNARQU-HDJSIYSDSA-N 0 1 355.402 0.468 20 30 FCEDMN Cc1nsc(NCCN(C)C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)c1C#N ZINC001577627769 1274613177 /nfs/dbraw/zinc/61/31/77/1274613177.db2.gz BGVBNARUOQFKQK-AWEZNQCLSA-N 0 1 374.474 0.976 20 30 FCEDMN N#CCN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3cn[nH]n3)cn1)O2 ZINC001577706951 1274767111 /nfs/dbraw/zinc/76/71/11/1274767111.db2.gz ZNTZXDZRVPBOIK-CYBMUJFWSA-N 0 1 353.386 0.353 20 30 FCEDMN N#CCN1CC[C@H](N2CCN(C(=O)c3cncc(-c4cn[nH]n4)c3)CC2)C1 ZINC001577706397 1274767758 /nfs/dbraw/zinc/76/77/58/1274767758.db2.gz FUISLTJQQWTNIY-INIZCTEOSA-N 0 1 366.429 0.222 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N2CCC(OC3CN(CCc4c[nH]nn4)C3)CC2)c1 ZINC001577709919 1274769589 /nfs/dbraw/zinc/76/95/89/1274769589.db2.gz IHGSMQNUXPOTEF-UHFFFAOYSA-N 0 1 369.429 0.553 20 30 FCEDMN N#CCNC[C@H]1CN(C(=O)Cc2ccccc2-c2cn[nH]n2)CCCO1 ZINC001577710153 1274771529 /nfs/dbraw/zinc/77/15/29/1274771529.db2.gz QRHWSXVUTLIFKC-HNNXBMFYSA-N 0 1 354.414 0.745 20 30 FCEDMN N#CCSCC(=O)NCCCNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577710246 1274771992 /nfs/dbraw/zinc/77/19/92/1274771992.db2.gz UESYESJNFBABMZ-UHFFFAOYSA-N 0 1 359.415 0.360 20 30 FCEDMN N#Cc1ccc(NC[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)nc1 ZINC001577715066 1274773948 /nfs/dbraw/zinc/77/39/48/1274773948.db2.gz IGKNMUAIPMNKCJ-AWEZNQCLSA-N 0 1 355.402 0.939 20 30 FCEDMN N#Cc1c[nH]c(C(=O)N[C@H]2CC3(CN(Cc4c[nH]nn4)C3)n3ccnc32)c1 ZINC001577712527 1274774044 /nfs/dbraw/zinc/77/40/44/1274774044.db2.gz PYXCKNLMTVTTTO-AWEZNQCLSA-N 0 1 363.385 0.287 20 30 FCEDMN N#Cc1cc(C(=O)N2CCCN(C(=O)CCOCc3c[nH]nn3)CC2)c[nH]1 ZINC001577712547 1274774397 /nfs/dbraw/zinc/77/43/97/1274774397.db2.gz QKJNEZNWGMVVKG-UHFFFAOYSA-N 0 1 371.401 0.286 20 30 FCEDMN N#Cc1ccc(NC2(CNC(=O)CCCc3c[nH]nn3)CCOCC2)nn1 ZINC001577715259 1274774442 /nfs/dbraw/zinc/77/44/42/1274774442.db2.gz LJUCXNYHFIRIEE-UHFFFAOYSA-N 0 1 370.417 0.567 20 30 FCEDMN N#Cc1ccc(NC2(CNC(=O)CCCc3cnn[nH]3)CCOCC2)nn1 ZINC001577715259 1274774445 /nfs/dbraw/zinc/77/44/45/1274774445.db2.gz LJUCXNYHFIRIEE-UHFFFAOYSA-N 0 1 370.417 0.567 20 30 FCEDMN N#Cc1ccc(N2CCN(C(=O)c3cncc(-c4cn[nH]n4)c3)CC2)nn1 ZINC001577715290 1274774631 /nfs/dbraw/zinc/77/46/31/1274774631.db2.gz MFSGWAXHBXTNQG-UHFFFAOYSA-N 0 1 361.369 0.491 20 30 FCEDMN N#Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)nc1 ZINC001577717675 1274777741 /nfs/dbraw/zinc/77/77/41/1274777741.db2.gz MRJOHVKCKVQALU-HNNXBMFYSA-N 0 1 354.418 0.654 20 30 FCEDMN N#Cc1nccc(NC/C=C/CNC(=O)c2ccc(-c3cn[nH]n3)cc2)n1 ZINC001577719573 1274785226 /nfs/dbraw/zinc/78/52/26/1274785226.db2.gz WNIIYEKDMWRMDU-OWOJBTEDSA-N 0 1 360.381 0.953 20 30 FCEDMN N#Cc1cncc(N2CC[C@@H](CCNC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577719789 1274785720 /nfs/dbraw/zinc/78/57/20/1274785720.db2.gz ZZEDMDNTJLPOFA-CYBMUJFWSA-N 0 1 370.417 0.406 20 30 FCEDMN O=C(C#CC1CC1)N1CCN(C(=O)c2cncc(-c3cn[nH]n3)c2)CC1 ZINC001577745987 1274822040 /nfs/dbraw/zinc/82/20/40/1274822040.db2.gz OQUBQGUONZOETK-UHFFFAOYSA-N 0 1 350.382 0.565 20 30 FCEDMN O=C(C#CC1CC1)N[C@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C[C@@H]1O ZINC001577746405 1274822908 /nfs/dbraw/zinc/82/29/08/1274822908.db2.gz YKQJGYKCDRPTSK-IRXDYDNUSA-N 0 1 373.457 0.399 20 30 FCEDMN O=C(CC#Cc1ccccc1)N[C@H]1COC2(CN(Cc3c[nH]nn3)C2)C1 ZINC001577766593 1274850213 /nfs/dbraw/zinc/85/02/13/1274850213.db2.gz VTYOKTKQXNDAHG-MRXNPFEDSA-N 0 1 351.410 0.706 20 30 FCEDMN CC[NH+](CC)CCO[C@@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001577902869 1275111568 /nfs/dbraw/zinc/11/15/68/1275111568.db2.gz IJPKLISGTGNKCX-GFCCVEGCSA-N 0 1 357.422 0.465 20 30 FCEDMN CCOC(=O)[C@@]1(C(C)C)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001578243078 1275544432 /nfs/dbraw/zinc/54/44/32/1275544432.db2.gz TXPRZBDNIJIWEN-INIZCTEOSA-N 0 1 356.390 0.944 20 30 FCEDMN CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578911947 1276452043 /nfs/dbraw/zinc/45/20/43/1276452043.db2.gz QPRPYOXCKWHZPQ-LLVKDONJSA-N 0 1 364.373 0.207 20 30 FCEDMN C[NH+](C)CCOc1cc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)ccn1 ZINC001578992343 1276567527 /nfs/dbraw/zinc/56/75/27/1276567527.db2.gz SHLGEYXQLYWIML-UHFFFAOYSA-N 0 1 366.389 0.476 20 30 FCEDMN C[NH+](C)CCOc1cc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)ccn1 ZINC001578992343 1276567530 /nfs/dbraw/zinc/56/75/30/1276567530.db2.gz SHLGEYXQLYWIML-UHFFFAOYSA-N 0 1 366.389 0.476 20 30 FCEDMN CN(C[C@H]1COc2ccccc2O1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579107240 1276764615 /nfs/dbraw/zinc/76/46/15/1276764615.db2.gz YYWLAQFPEIGCOR-JTQLQIEISA-N 0 1 350.342 0.805 20 30 FCEDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cccc(C#N)c1 ZINC001579130347 1276818753 /nfs/dbraw/zinc/81/87/53/1276818753.db2.gz KUVPBUVOWQZWJG-AWEZNQCLSA-N 0 1 367.417 0.642 20 30 FCEDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cccc(C#N)c1 ZINC001579130347 1276818772 /nfs/dbraw/zinc/81/87/72/1276818772.db2.gz KUVPBUVOWQZWJG-AWEZNQCLSA-N 0 1 367.417 0.642 20 30 FCEDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cccc(C#N)c1 ZINC001579130347 1276818785 /nfs/dbraw/zinc/81/87/85/1276818785.db2.gz KUVPBUVOWQZWJG-AWEZNQCLSA-N 0 1 367.417 0.642 20 30 FCEDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cccc(C#N)c1 ZINC001579130347 1276818798 /nfs/dbraw/zinc/81/87/98/1276818798.db2.gz KUVPBUVOWQZWJG-AWEZNQCLSA-N 0 1 367.417 0.642 20 30 FCEDMN COC(=O)[C@@H](CC1CCOCC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579433436 1277301319 /nfs/dbraw/zinc/30/13/19/1277301319.db2.gz GKUDCGOCWADXJX-SNVBAGLBSA-N 0 1 358.362 0.299 20 30 FCEDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N[C@H]1CNC[C@H]1C#N ZINC001579433957 1277303525 /nfs/dbraw/zinc/30/35/25/1277303525.db2.gz ATDMVVYGEZAWMO-SYQHCUMBSA-N 0 1 351.451 0.900 20 30 FCEDMN COC(=O)[C@]1(C(F)(F)F)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001579438710 1277316150 /nfs/dbraw/zinc/31/61/50/1277316150.db2.gz NQFUXXRNGVWCGH-LBPRGKRZSA-N 0 1 368.279 0.460 20 30 FCEDMN COCC#CCN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001579618429 1277665683 /nfs/dbraw/zinc/66/56/83/1277665683.db2.gz KGMYCZDOJHYBMM-MAUKXSAKSA-N 0 1 369.429 0.571 20 30 FCEDMN COCC#CCN1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579619188 1277666571 /nfs/dbraw/zinc/66/65/71/1277666571.db2.gz PYCUFSXFWMYRTJ-UHFFFAOYSA-N 0 1 357.418 0.429 20 30 FCEDMN COCCN(CCNC(=O)[C@H](C)C#N)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579793669 1277916222 /nfs/dbraw/zinc/91/62/22/1277916222.db2.gz XGJBGVSSJFYDCR-LLVKDONJSA-N 0 1 358.406 0.299 20 30 FCEDMN N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CC(F)(F)CN)C1 ZINC001580041159 1277997220 /nfs/dbraw/zinc/99/72/20/1277997220.db2.gz WBEYLSNYGVBTNS-ZDUSSCGKSA-N 0 1 352.324 0.771 20 30 FCEDMN Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958622 1279162035 /nfs/dbraw/zinc/16/20/35/1279162035.db2.gz GIUIUOLQQCAXSH-LBPRGKRZSA-N 0 1 363.385 0.779 20 30 FCEDMN Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580977982 1279179262 /nfs/dbraw/zinc/17/92/62/1279179262.db2.gz ZVXDQWQOLRUODW-WCFLWFBJSA-N 0 1 352.402 0.624 20 30 FCEDMN Cc1cc(N[C@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994519 1279201814 /nfs/dbraw/zinc/20/18/14/1279201814.db2.gz NWMRFUBNOQYLTP-LLVKDONJSA-N 0 1 365.401 0.764 20 30 FCEDMN N#CCc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)cc1 ZINC001581859437 1280611686 /nfs/dbraw/zinc/61/16/86/1280611686.db2.gz IAAYFEDQVWNHDM-UHFFFAOYSA-N 0 1 355.383 0.806 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001581866389 1280621279 /nfs/dbraw/zinc/62/12/79/1280621279.db2.gz ZXCSXHBGYDZIKX-LBPRGKRZSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1ccc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001581868457 1280625890 /nfs/dbraw/zinc/62/58/90/1280625890.db2.gz UDZFYTCSHUXQSS-UHFFFAOYSA-N 0 1 363.385 0.504 20 30 FCEDMN N#Cc1ccc(N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2=O)cc1 ZINC001581871454 1280626597 /nfs/dbraw/zinc/62/65/97/1280626597.db2.gz VLKGVGHPPLWFJQ-CYBMUJFWSA-N 0 1 361.369 0.558 20 30 FCEDMN N#Cc1ccc(O[C@@H]2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)nc1 ZINC001581873557 1280628720 /nfs/dbraw/zinc/62/87/20/1280628720.db2.gz GPQWGBKHWYXBPF-LLVKDONJSA-N 0 1 360.341 0.453 20 30 FCEDMN N#Cc1nc(NCC2([NH+]3CCCC3)CCOCC2)cnc1-c1nn[n-]n1 ZINC001581880409 1280639231 /nfs/dbraw/zinc/63/92/31/1280639231.db2.gz IUWVRIAKIBOWGC-UHFFFAOYSA-N 0 1 355.406 0.585 20 30 FCEDMN N#Cc1ncc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)nc1-c1nn[nH]n1 ZINC001581882778 1280642953 /nfs/dbraw/zinc/64/29/53/1280642953.db2.gz HBVSAYVEXUWPBI-SMDDNHRTSA-N 0 1 372.776 0.688 20 30 FCEDMN N#Cc1ncc(N2CCn3c(nnc3C(F)(F)F)C2)nc1-c1nn[nH]n1 ZINC001581882599 1280644364 /nfs/dbraw/zinc/64/43/64/1280644364.db2.gz DLCJBKLBKCCRJK-UHFFFAOYSA-N 0 1 363.267 0.159 20 30 FCEDMN N#Cc1ncc(N2CCN(c3ccccc3F)CC2)nc1-c1nn[nH]n1 ZINC001581883271 1280647995 /nfs/dbraw/zinc/64/79/95/1280647995.db2.gz UODGOHSKUFJQIJ-UHFFFAOYSA-N 0 1 351.349 0.994 20 30 FCEDMN N#Cc1ncc(N2CCOC[C@H]2C[C@H](O)c2ccco2)nc1-c1nn[nH]n1 ZINC001581883399 1280648474 /nfs/dbraw/zinc/64/84/74/1280648474.db2.gz YKLSFYWUYMWMFI-PWSUYJOCSA-N 0 1 368.357 0.450 20 30 FCEDMN CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603784224 1287494897 /nfs/dbraw/zinc/49/48/97/1287494897.db2.gz CUWJGHVUTRTFFB-CQSZACIVSA-N 0 1 364.446 0.392 20 30 FCEDMN CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603784224 1287494898 /nfs/dbraw/zinc/49/48/98/1287494898.db2.gz CUWJGHVUTRTFFB-CQSZACIVSA-N 0 1 364.446 0.392 20 30 FCEDMN CC(C)OCCS(=O)(=O)NCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001586346337 1282293576 /nfs/dbraw/zinc/29/35/76/1282293576.db2.gz UJOBXSKJQXIJLC-UHFFFAOYSA-N 0 1 365.415 0.717 20 30 FCEDMN C#C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)[C@@H]1CCCO1 ZINC001588330050 1282421835 /nfs/dbraw/zinc/42/18/35/1282421835.db2.gz UCLDYHQHUBCBNX-MNOVXSKESA-N 0 1 360.399 0.600 20 30 FCEDMN C#CCCCC(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588335877 1282428569 /nfs/dbraw/zinc/42/85/69/1282428569.db2.gz BGBJLGQNNRZTTL-CYBMUJFWSA-N 0 1 368.445 0.921 20 30 FCEDMN C#CCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001588337802 1282430303 /nfs/dbraw/zinc/43/03/03/1282430303.db2.gz CFZPROPIWAHXAD-ACJLOTCBSA-N 0 1 366.429 0.745 20 30 FCEDMN C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001588338239 1282431194 /nfs/dbraw/zinc/43/11/94/1282431194.db2.gz IJPJTDMSEQMLSS-HOCLYGCPSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCCCCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588343495 1282440618 /nfs/dbraw/zinc/44/06/18/1282440618.db2.gz MKEMJUUHGWXOHO-KRWDZBQOSA-N 0 1 354.418 0.935 20 30 FCEDMN C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001588350429 1282444902 /nfs/dbraw/zinc/44/49/02/1282444902.db2.gz VVPNAOJMUADUHD-UHFFFAOYSA-N 0 1 367.387 0.425 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588354883 1282452027 /nfs/dbraw/zinc/45/20/27/1282452027.db2.gz BYFRGBCPLCYTGA-HNNXBMFYSA-N 0 1 368.441 0.939 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355155 1282452762 /nfs/dbraw/zinc/45/27/62/1282452762.db2.gz FPLRWDONKNLQQM-VXGBXAGGSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588355155 1282452768 /nfs/dbraw/zinc/45/27/68/1282452768.db2.gz FPLRWDONKNLQQM-VXGBXAGGSA-N 0 1 362.459 0.808 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001588355130 1282454173 /nfs/dbraw/zinc/45/41/73/1282454173.db2.gz FOHBMNPJGOCLTK-OLZOCXBDSA-N 0 1 357.418 0.419 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588355626 1282455217 /nfs/dbraw/zinc/45/52/17/1282455217.db2.gz KOPDAJJOJLFBHQ-UONOGXRCSA-N 0 1 369.429 0.693 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588357190 1282463647 /nfs/dbraw/zinc/46/36/47/1282463647.db2.gz IXUORJQEPJBROO-STQMWFEESA-N 0 1 357.418 0.289 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588357230 1282464912 /nfs/dbraw/zinc/46/49/12/1282464912.db2.gz JKGAOHXMWCZVEC-KGLIPLIRSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588357805 1282466969 /nfs/dbraw/zinc/46/69/69/1282466969.db2.gz NKPFGFLCQHITDW-QWHCGFSZSA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001588358430 1282469511 /nfs/dbraw/zinc/46/95/11/1282469511.db2.gz RQYAHPMCIWDXPO-ZDUSSCGKSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588358648 1282470565 /nfs/dbraw/zinc/47/05/65/1282470565.db2.gz UMVAIQNXAABRMA-UONOGXRCSA-N 0 1 369.429 0.646 20 30 FCEDMN C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588358991 1282472794 /nfs/dbraw/zinc/47/27/94/1282472794.db2.gz FPSIWKLXWHENES-CQSZACIVSA-N 0 1 369.429 0.729 20 30 FCEDMN C#CCOCCC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001588359049 1282473192 /nfs/dbraw/zinc/47/31/92/1282473192.db2.gz GGKNZQDNAVKWGT-ZIAGYGMSSA-N 0 1 369.429 0.230 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588359333 1282474807 /nfs/dbraw/zinc/47/48/07/1282474807.db2.gz LHGYFZDYMZFWJP-CYBMUJFWSA-N 0 1 355.402 0.045 20 30 FCEDMN C#CCOCCC(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588361050 1282480386 /nfs/dbraw/zinc/48/03/86/1282480386.db2.gz CKEXRVAGUQYBJD-AWEZNQCLSA-N 0 1 369.429 0.634 20 30 FCEDMN C#CCOCCC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001588361501 1282485243 /nfs/dbraw/zinc/48/52/43/1282485243.db2.gz ORDFVIQDCXGHCL-INIZCTEOSA-N 0 1 369.429 0.339 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001588364490 1282492089 /nfs/dbraw/zinc/49/20/89/1282492089.db2.gz HERPAVOSNWMOIK-RYUDHWBXSA-N 0 1 362.397 0.679 20 30 FCEDMN C=C(C)[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)OCC ZINC001588402769 1282501128 /nfs/dbraw/zinc/50/11/28/1282501128.db2.gz MSJXEMFOYQWVBN-QWHCGFSZSA-N 0 1 372.433 0.463 20 30 FCEDMN C=C(C)CCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588415209 1282505108 /nfs/dbraw/zinc/50/51/08/1282505108.db2.gz FVRSRUYHICUIKW-UHFFFAOYSA-N 0 1 372.433 0.461 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588443791 1282508105 /nfs/dbraw/zinc/50/81/05/1282508105.db2.gz ZGQKYYFSOXGCRT-MNXVOIDGSA-N 0 1 370.417 0.119 20 30 FCEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588467831 1282513009 /nfs/dbraw/zinc/51/30/09/1282513009.db2.gz DWIQYLHPHOMCFC-NWDGAFQWSA-N 0 1 356.434 0.797 20 30 FCEDMN C=CC(C)(C)C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588468911 1282513130 /nfs/dbraw/zinc/51/31/30/1282513130.db2.gz RDXIKTCNJLNDNP-LBPRGKRZSA-N 0 1 356.434 0.941 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588475606 1282515957 /nfs/dbraw/zinc/51/59/57/1282515957.db2.gz NHDLIMLLMFQNCW-CYBMUJFWSA-N 0 1 371.445 0.844 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588493596 1282523445 /nfs/dbraw/zinc/52/34/45/1282523445.db2.gz IGOFRXKKSAWFEY-YVEFUNNKSA-N 0 1 359.434 0.483 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588498955 1282528274 /nfs/dbraw/zinc/52/82/74/1282528274.db2.gz FOSFPOKPIPFYPN-UGSOOPFHSA-N 0 1 371.445 0.580 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588505217 1282545044 /nfs/dbraw/zinc/54/50/44/1282545044.db2.gz NPKPJYCIUMNPMX-JKDFXYPNSA-N 0 1 357.418 0.317 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588505573 1282546269 /nfs/dbraw/zinc/54/62/69/1282546269.db2.gz RPUNOSDYYZQHIM-KRWDZBQOSA-N 0 1 370.417 0.237 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588521982 1282556221 /nfs/dbraw/zinc/55/62/21/1282556221.db2.gz XHWGCFNDSQGJNM-ZIAGYGMSSA-N 0 1 371.445 0.925 20 30 FCEDMN C=C[C@@H](CC)CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588524798 1282559441 /nfs/dbraw/zinc/55/94/41/1282559441.db2.gz SWXSTMBZWKFKFC-HIFPTAJRSA-N 0 1 356.434 0.988 20 30 FCEDMN C=CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588588107 1282574582 /nfs/dbraw/zinc/57/45/82/1282574582.db2.gz DGOUZLKAGHCQOB-CHWSQXEVSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCOCC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588610378 1282587606 /nfs/dbraw/zinc/58/76/06/1282587606.db2.gz CSQVKMOLQMOMPW-UHFFFAOYSA-N 0 1 372.433 0.322 20 30 FCEDMN C=CCCOCC(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001588611298 1282589361 /nfs/dbraw/zinc/58/93/61/1282589361.db2.gz RQGQGGZTYSHDAQ-UHFFFAOYSA-N 0 1 371.445 0.927 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588617307 1282598503 /nfs/dbraw/zinc/59/85/03/1282598503.db2.gz UEKKLMARHRRRRO-CYBMUJFWSA-N 0 1 372.433 0.725 20 30 FCEDMN C=CCCOCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588616844 1282598625 /nfs/dbraw/zinc/59/86/25/1282598625.db2.gz NNMURUUKHIOLOH-STQMWFEESA-N 0 1 359.434 0.890 20 30 FCEDMN C=CCN1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C[C@@H](C)O2 ZINC001588657757 1282609654 /nfs/dbraw/zinc/60/96/54/1282609654.db2.gz WARSEJNAPMQOGE-PXAZEXFGSA-N 0 1 357.418 0.686 20 30 FCEDMN C=CCOCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588667108 1282623437 /nfs/dbraw/zinc/62/34/37/1282623437.db2.gz RPPRMURIUBOWCP-AWEZNQCLSA-N 0 1 371.445 0.845 20 30 FCEDMN C=CCOCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001588674299 1282630343 /nfs/dbraw/zinc/63/03/43/1282630343.db2.gz MJXSBCVVXUEAOR-HIFRSBDPSA-N 0 1 371.445 0.973 20 30 FCEDMN C=CCOCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001588674446 1282631088 /nfs/dbraw/zinc/63/10/88/1282631088.db2.gz NZKUWBZZENTOBZ-GJZGRUSLSA-N 0 1 369.429 0.726 20 30 FCEDMN C=CCOCC(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001588674317 1282631322 /nfs/dbraw/zinc/63/13/22/1282631322.db2.gz MMGVYFKCHPKVHL-XMQYKBBCSA-N 0 1 369.429 0.571 20 30 FCEDMN C=CCOCCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001588680780 1282637043 /nfs/dbraw/zinc/63/70/43/1282637043.db2.gz CWXUZEAFVYWAON-STQMWFEESA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@H](COC)C1 ZINC001588700791 1282651504 /nfs/dbraw/zinc/65/15/04/1282651504.db2.gz XTXHJFKEQLMHKH-JTQLQIEISA-N 0 1 356.394 0.507 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001588722122 1282667050 /nfs/dbraw/zinc/66/70/50/1282667050.db2.gz UEXPDSHFWBRGIX-JMSVASOKSA-N 0 1 357.418 0.794 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588722453 1282667811 /nfs/dbraw/zinc/66/78/11/1282667811.db2.gz XJLSIDISKZZKJJ-WQVCFCJDSA-N 0 1 369.429 0.581 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588738575 1282677549 /nfs/dbraw/zinc/67/75/49/1282677549.db2.gz YIRJYLYOUOWQCH-ZDUSSCGKSA-N 0 1 354.418 0.887 20 30 FCEDMN CC#CCCCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588736921 1282680896 /nfs/dbraw/zinc/68/08/96/1282680896.db2.gz GHSIGALJCFJVPK-CYBMUJFWSA-N 0 1 354.418 0.675 20 30 FCEDMN CC#CCCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001588740251 1282684078 /nfs/dbraw/zinc/68/40/78/1282684078.db2.gz KEZDSCSRRJJRAK-UHFFFAOYSA-N 0 1 354.418 0.723 20 30 FCEDMN C[C@@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001589028692 1282777155 /nfs/dbraw/zinc/77/71/55/1282777155.db2.gz XVQQCSYRAAQWQG-VIFPVBQESA-N 0 1 367.329 0.073 20 30 FCEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589157466 1282811568 /nfs/dbraw/zinc/81/15/68/1282811568.db2.gz BNYURLCPNYXQNY-ZJUUUORDSA-N 0 1 357.378 0.250 20 30 FCEDMN CC(C)C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(=O)NCC[NH+](C)C ZINC001589659632 1282932097 /nfs/dbraw/zinc/93/20/97/1282932097.db2.gz DEDDSMAWGGNMPB-NSHDSACASA-N 0 1 372.437 0.033 20 30 FCEDMN CC(C)C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(=O)NCC[NH+](C)C ZINC001589659632 1282932104 /nfs/dbraw/zinc/93/21/04/1282932104.db2.gz DEDDSMAWGGNMPB-NSHDSACASA-N 0 1 372.437 0.033 20 30 FCEDMN C[C@@H](C[C@H](C)Nc1ccncc1-c1nn[nH]n1)NC(=O)CSCC#N ZINC001589800241 1283015626 /nfs/dbraw/zinc/01/56/26/1283015626.db2.gz WHWOMFMMNRYBBR-QWRGUYRKSA-N 0 1 360.447 0.636 20 30 FCEDMN CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590100664 1283213965 /nfs/dbraw/zinc/21/39/65/1283213965.db2.gz PQFMCDDHKSQAQX-LBPRGKRZSA-N 0 1 352.402 0.141 20 30 FCEDMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001590209153 1283333689 /nfs/dbraw/zinc/33/36/89/1283333689.db2.gz JZCATUPYJAGGRS-ZYHUDNBSSA-N 0 1 363.385 0.598 20 30 FCEDMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C#CC1CC1 ZINC001590210319 1283334759 /nfs/dbraw/zinc/33/47/59/1283334759.db2.gz SOBWOQHBFSICAM-GXTWGEPZSA-N 0 1 351.414 0.888 20 30 FCEDMN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001590266097 1283390712 /nfs/dbraw/zinc/39/07/12/1283390712.db2.gz KNAJWIINPULLAJ-HIFRSBDPSA-N 0 1 365.441 0.994 20 30 FCEDMN COC(=O)c1c(C)[nH]c(C(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1C ZINC001591284611 1284442791 /nfs/dbraw/zinc/44/27/91/1284442791.db2.gz QHQAJDYSAFHTBF-UHFFFAOYSA-N 0 1 368.357 0.858 20 30 FCEDMN COc1ccc(C(=O)NCCNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001591572293 1284745551 /nfs/dbraw/zinc/74/55/51/1284745551.db2.gz FXTDKNQOOSPSMI-UHFFFAOYSA-N 0 1 365.357 0.379 20 30 FCEDMN COc1ccccc1-c1nnc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)o1 ZINC001591649742 1284782055 /nfs/dbraw/zinc/78/20/55/1284782055.db2.gz WDICKGLUVMSFEA-UHFFFAOYSA-N 0 1 364.329 0.624 20 30 FCEDMN C[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1CNC(=O)CSCC#N ZINC001591748840 1284875831 /nfs/dbraw/zinc/87/58/31/1284875831.db2.gz SOLSHRMTPJLJHH-VXGBXAGGSA-N 0 1 372.458 0.707 20 30 FCEDMN Cc1cc(NCCN(CCO)C(=O)C#CC(C)(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592048603 1285093573 /nfs/dbraw/zinc/09/35/73/1285093573.db2.gz QDWISXKPFJXDCY-UHFFFAOYSA-N 0 1 371.445 0.274 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CC(C)(C#N)C3)CC2)o1 ZINC001592335919 1285245295 /nfs/dbraw/zinc/24/52/95/1285245295.db2.gz NCSMZOXOSKYYHW-UHFFFAOYSA-N 0 1 356.390 0.752 20 30 FCEDMN Cc1nc([C@H](C)NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001592440975 1285370552 /nfs/dbraw/zinc/37/05/52/1285370552.db2.gz JTFWAFSPYNTQGP-TVQRCGJNSA-N 0 1 351.374 0.853 20 30 FCEDMN N#CCSCC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679529 1285577612 /nfs/dbraw/zinc/57/76/12/1285577612.db2.gz SUYZTFRWTZCULV-WDEREUQCSA-N 0 1 373.446 0.032 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1nc2ccccc2s1 ZINC001592682300 1285581852 /nfs/dbraw/zinc/58/18/52/1285581852.db2.gz WAYROPSDNMTWOR-UHFFFAOYSA-N 0 1 366.370 0.765 20 30 FCEDMN N#Cc1ccc(F)c(CNCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC001592693563 1285586299 /nfs/dbraw/zinc/58/62/99/1285586299.db2.gz MPHOEOZBAWMQGO-UHFFFAOYSA-N 0 1 354.349 0.725 20 30 FCEDMN N#Cc1ccc([C@H]2CN(Cn3cccc(-c4nn[nH]n4)c3=O)CCO2)cc1 ZINC001592692195 1285586757 /nfs/dbraw/zinc/58/67/57/1285586757.db2.gz SPQLADGVYAIPSU-MRXNPFEDSA-N 0 1 363.381 0.931 20 30 FCEDMN N#Cc1ncc(N(Cc2cccc(C(N)=O)c2)C2CC2)nc1-c1nn[nH]n1 ZINC001592708290 1285592672 /nfs/dbraw/zinc/59/26/72/1285592672.db2.gz GXJRJBBFRJTZIZ-UHFFFAOYSA-N 0 1 361.369 0.796 20 30 FCEDMN O=C(C#CC1CC1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592766135 1285688067 /nfs/dbraw/zinc/68/80/67/1285688067.db2.gz DIBCAIWATNPTTP-ZDUSSCGKSA-N 0 1 352.402 0.285 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592768671 1285693637 /nfs/dbraw/zinc/69/36/37/1285693637.db2.gz OJZMGEJDNAUVJJ-UONOGXRCSA-N 0 1 351.414 0.936 20 30 FCEDMN CN(C)c1cc(C(=O)NC2(C#N)CCN(C)CC2)cc(-c2nn[nH]n2)c1 ZINC001609283204 1289044055 /nfs/dbraw/zinc/04/40/55/1289044055.db2.gz NFBBMUYYIONZTQ-UHFFFAOYSA-N 0 1 354.418 0.650 20 30 FCEDMN C#CCCCC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602702041 1287063735 /nfs/dbraw/zinc/06/37/35/1287063735.db2.gz BXINQUQIVDKEMB-ZDUSSCGKSA-N 0 1 354.418 0.533 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703243 1287064223 /nfs/dbraw/zinc/06/42/23/1287064223.db2.gz MAYNEZXURWZLHT-KRWDZBQOSA-N 0 1 354.418 0.533 20 30 FCEDMN C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602703429 1287066074 /nfs/dbraw/zinc/06/60/74/1287066074.db2.gz QHDFADQUNLQVCO-UONOGXRCSA-N 0 1 353.430 0.994 20 30 FCEDMN C#CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602703663 1287066747 /nfs/dbraw/zinc/06/67/47/1287066747.db2.gz XTJQCCBWMHQFFT-QWHCGFSZSA-N 0 1 354.418 0.531 20 30 FCEDMN C#CCCS(=O)(=O)NC1CCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001602714039 1287071712 /nfs/dbraw/zinc/07/17/12/1287071712.db2.gz GGUJXIBGAZILFT-UHFFFAOYSA-N 0 1 374.470 0.774 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001602724182 1287080309 /nfs/dbraw/zinc/08/03/09/1287080309.db2.gz BNZGNLODDFXQDJ-WBMJQRKESA-N 0 1 369.429 0.337 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602724890 1287084398 /nfs/dbraw/zinc/08/43/98/1287084398.db2.gz HPPOCICAVNZLGD-HIFPTAJRSA-N 0 1 355.402 0.123 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001602727121 1287092574 /nfs/dbraw/zinc/09/25/74/1287092574.db2.gz VBUHWXZEGSBJAL-KBPBESRZSA-N 0 1 369.429 0.372 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N[C@@H](C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602727449 1287093969 /nfs/dbraw/zinc/09/39/69/1287093969.db2.gz XZJUQXYBPVCOND-JSGCOSHPSA-N 0 1 371.445 0.727 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001602729490 1287096801 /nfs/dbraw/zinc/09/68/01/1287096801.db2.gz UPVAUDUTYVFYNP-ZDUSSCGKSA-N 0 1 355.402 0.244 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001602729348 1287096822 /nfs/dbraw/zinc/09/68/22/1287096822.db2.gz OZBUGLMXMALJRA-HIFRSBDPSA-N 0 1 369.429 0.693 20 30 FCEDMN C#Cc1cncc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001602742828 1287103645 /nfs/dbraw/zinc/10/36/45/1287103645.db2.gz LHPPPGINYKXRHM-NSHDSACASA-N 0 1 363.385 0.075 20 30 FCEDMN C=C1CC(C)(C(=O)N(C)CCOCCNc2ccncc2-c2nn[nH]n2)C1 ZINC001602770298 1287108623 /nfs/dbraw/zinc/10/86/23/1287108623.db2.gz JUEAZEFISCVBLQ-UHFFFAOYSA-N 0 1 371.445 0.927 20 30 FCEDMN C=C1CCC(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001602775832 1287111508 /nfs/dbraw/zinc/11/15/08/1287111508.db2.gz TWFPOAUUMYSPQB-CYBMUJFWSA-N 0 1 354.418 0.838 20 30 FCEDMN C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001602783219 1287112190 /nfs/dbraw/zinc/11/21/90/1287112190.db2.gz ABUCNCZPOUIXCC-OCCSQVGLSA-N 0 1 357.418 0.448 20 30 FCEDMN C=CCCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001602826378 1287126657 /nfs/dbraw/zinc/12/66/57/1287126657.db2.gz FPFPWVOUVNWOKI-VXGBXAGGSA-N 0 1 354.418 0.884 20 30 FCEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001602841203 1287131284 /nfs/dbraw/zinc/13/12/84/1287131284.db2.gz QFGZKJQRJXLYNK-STQMWFEESA-N 0 1 359.434 0.924 20 30 FCEDMN C=CCCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001602843898 1287132740 /nfs/dbraw/zinc/13/27/40/1287132740.db2.gz BOHMAYCQSWAJGN-OLZOCXBDSA-N 0 1 372.433 0.723 20 30 FCEDMN C=CCCOCCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001602846504 1287136494 /nfs/dbraw/zinc/13/64/94/1287136494.db2.gz QWCTVGJFAPAYTI-UHFFFAOYSA-N 0 1 351.432 0.823 20 30 FCEDMN C=CCOCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001602866971 1287140394 /nfs/dbraw/zinc/14/03/94/1287140394.db2.gz QXGHSIYWEDKJSR-CHWSQXEVSA-N 0 1 357.418 0.596 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001602879500 1287147395 /nfs/dbraw/zinc/14/73/95/1287147395.db2.gz ITYVMMZARYIOQO-NEPJUHHUSA-N 0 1 369.437 0.909 20 30 FCEDMN CC#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001602891851 1287149143 /nfs/dbraw/zinc/14/91/43/1287149143.db2.gz JVBOXBZXCZSGIG-ZIAGYGMSSA-N 0 1 368.445 0.921 20 30 FCEDMN CC(C)(C)C#CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603051398 1287198061 /nfs/dbraw/zinc/19/80/61/1287198061.db2.gz 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CJWJOKVDFAKMQD-CHWSQXEVSA-N 0 1 353.430 0.977 20 30 FCEDMN N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001055066337 1218987306 /nfs/dbraw/zinc/98/73/06/1218987306.db2.gz HDGNJLCRSHSKSH-XYJYNPGVSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001055066337 1218987310 /nfs/dbraw/zinc/98/73/10/1218987310.db2.gz HDGNJLCRSHSKSH-XYJYNPGVSA-N 0 1 364.413 0.497 20 30 FCEDMN N#Cc1nccnc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)C2 ZINC001055438603 1219048123 /nfs/dbraw/zinc/04/81/23/1219048123.db2.gz JHYNAEJZGMQDEA-CVMIBZJCSA-N 0 1 364.413 0.812 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)c2ccc[nH]2)CC1 ZINC001055516234 1219064381 /nfs/dbraw/zinc/06/43/81/1219064381.db2.gz YKISVIIVDBQHAU-WBVHZDCISA-N 0 1 360.458 0.916 20 30 FCEDMN O=C(C#CC1CC1)NCCN1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001055575102 1219084212 /nfs/dbraw/zinc/08/42/12/1219084212.db2.gz MQZVLFJQZYLKRP-IAGOWNOFSA-N 0 1 369.469 0.623 20 30 FCEDMN C=CCCN1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@@H](n2ccnn2)C1 ZINC001070064106 1219127065 /nfs/dbraw/zinc/12/70/65/1219127065.db2.gz BDIYRVZCJHECLV-CVEARBPZSA-N 0 1 366.429 0.791 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083943 1219152435 /nfs/dbraw/zinc/15/24/35/1219152435.db2.gz URRQXWVXEKOMTK-OAGGEKHMSA-N 0 1 358.446 0.092 20 30 FCEDMN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@@H](n2ccnn2)C1 ZINC001070100249 1219174404 /nfs/dbraw/zinc/17/44/04/1219174404.db2.gz LYRBJVRRSRQPFJ-CABCVRRESA-N 0 1 365.397 0.940 20 30 FCEDMN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](n2ccnn2)C1 ZINC001070106983 1219181237 /nfs/dbraw/zinc/18/12/37/1219181237.db2.gz IAQDFEZUWMOMRM-CVEARBPZSA-N 0 1 369.429 0.394 20 30 FCEDMN C#Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cc1 ZINC001070114441 1219188915 /nfs/dbraw/zinc/18/89/15/1219188915.db2.gz QAGZYPJEXURUDS-HZPDHXFCSA-N 0 1 371.393 0.728 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CN2CCCC2)CCOCC1 ZINC001070123103 1219195204 /nfs/dbraw/zinc/19/52/04/1219195204.db2.gz FNCCSPWHMMSYJL-CVEARBPZSA-N 0 1 365.474 0.455 20 30 FCEDMN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)C=C(C)C)C[C@@H]2n2ccnn2)C1=O ZINC001070131915 1219205050 /nfs/dbraw/zinc/20/50/50/1219205050.db2.gz BBARHILMRHCRIC-OAGGEKHMSA-N 0 1 358.446 0.373 20 30 FCEDMN N#Cc1ccccc1CN[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070146951 1219227329 /nfs/dbraw/zinc/22/73/29/1219227329.db2.gz MZMIQHUJZRIIDN-SJORKVTESA-N 0 1 362.397 0.728 20 30 FCEDMN N#Cc1cccc(CN[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2n2ccnn2)c1 ZINC001070157479 1219244056 /nfs/dbraw/zinc/24/40/56/1219244056.db2.gz ZERQOPWHMRMINA-WBVHZDCISA-N 0 1 363.381 0.993 20 30 FCEDMN COc1ccc(CN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)cn1 ZINC001070159635 1219247110 /nfs/dbraw/zinc/24/71/10/1219247110.db2.gz LNANMANIQNYANK-CFVMTHIKSA-N 0 1 355.402 0.383 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)c2cnn[nH]2)CCOCC1 ZINC001070164261 1219254074 /nfs/dbraw/zinc/25/40/74/1219254074.db2.gz LYXPEBCEXKIEMY-JSGCOSHPSA-N 0 1 363.418 0.181 20 30 FCEDMN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2n2ccnn2)C1=O ZINC001070166867 1219257669 /nfs/dbraw/zinc/25/76/69/1219257669.db2.gz HKEAACQAPZUFCE-VSUWIJLXSA-N 0 1 370.457 0.373 20 30 FCEDMN Cn1cncc1CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 ZINC001070178951 1219272054 /nfs/dbraw/zinc/27/20/54/1219272054.db2.gz QYGJPJQVDLPLFF-CVEARBPZSA-N 0 1 365.401 0.067 20 30 FCEDMN CC(C)[C@@H](O)C(=O)N1C[C@@H](NCc2ccc(C#N)cc2)[C@@H](n2ccnn2)C1 ZINC001070188884 1219280956 /nfs/dbraw/zinc/28/09/56/1219280956.db2.gz QUOXWGLXWYTLAK-FGTMMUONSA-N 0 1 368.441 0.708 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)Cc2ccc(OC)cc2C)C[C@@H]1n1ccnn1 ZINC001070202795 1219290462 /nfs/dbraw/zinc/29/04/62/1219290462.db2.gz PNQQYUUHYSLSDC-MSOLQXFVSA-N 0 1 353.426 0.813 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n(C)n2)C[C@@H]1n1ccnn1 ZINC001070202843 1219290591 /nfs/dbraw/zinc/29/05/91/1219290591.db2.gz RQIQGSXGOAGURH-NEPJUHHUSA-N 0 1 367.335 0.319 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccccc2)C[C@@H]1n1ccnn1 ZINC001070206555 1219293115 /nfs/dbraw/zinc/29/31/15/1219293115.db2.gz HXUMCFOAILWXJY-QYZOEREBSA-N 0 1 364.453 0.922 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)COc2ccc(OC)c(C)c2)C[C@@H]1n1ccnn1 ZINC001070209165 1219294572 /nfs/dbraw/zinc/29/45/72/1219294572.db2.gz PEIBDIPLDRFGBV-SJORKVTESA-N 0 1 369.425 0.649 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccn(CC(F)(F)F)n2)C[C@@H]1n1ccnn1 ZINC001070214639 1219297484 /nfs/dbraw/zinc/29/74/84/1219297484.db2.gz YVIGGNDAILEAKX-OLZOCXBDSA-N 0 1 367.335 0.325 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCOc3c(F)cccc32)C[C@@H]1n1ccnn1 ZINC001070230483 1219309281 /nfs/dbraw/zinc/30/92/81/1219309281.db2.gz PNHXDANANYKHCY-UAGQMJEPSA-N 0 1 369.400 0.958 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1n1ccnn1 ZINC001070247452 1219318311 /nfs/dbraw/zinc/31/83/11/1219318311.db2.gz WNHVDRWYPFQLAZ-CVEARBPZSA-N 0 1 362.397 0.147 20 30 FCEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070248578 1219318857 /nfs/dbraw/zinc/31/88/57/1219318857.db2.gz AGHCBRAXIPMXDC-CABCVRRESA-N 0 1 360.462 0.454 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)C(C)(C)c2c(C)noc2C)C[C@@H]1n1ccnn1 ZINC001070256119 1219324616 /nfs/dbraw/zinc/32/46/16/1219324616.db2.gz NBFRYOONPVMMKL-CABCVRRESA-N 0 1 356.430 0.835 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)F)C2)C[C@@H]1n1ccnn1 ZINC001070260262 1219330543 /nfs/dbraw/zinc/33/05/43/1219330543.db2.gz ACYIYRHPIYTTSQ-ZNMIVQPWSA-N 0 1 366.416 0.230 20 30 FCEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001070267815 1219335920 /nfs/dbraw/zinc/33/59/20/1219335920.db2.gz RBEGMGRYAINTGU-KEYYUXOJSA-N 0 1 358.450 0.849 20 30 FCEDMN C#CCN[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@@H]1n1ccnn1 ZINC001070271098 1219339571 /nfs/dbraw/zinc/33/95/71/1219339571.db2.gz BKMPWZGGNCLYMK-CVEARBPZSA-N 0 1 362.397 0.147 20 30 FCEDMN 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CC(C)(C)C#CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CCCc3c[nH]nn3)[C@@H]2C1 ZINC001575245201 1271851052 /nfs/dbraw/zinc/85/10/52/1271851052.db2.gz CHHQACUAMVGKCP-PHZGNYQRSA-N 0 1 357.458 0.998 20 30 FCEDMN CC(C)(C)C#CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CCCc3cnn[nH]3)[C@@H]2C1 ZINC001575245201 1271851069 /nfs/dbraw/zinc/85/10/69/1271851069.db2.gz CHHQACUAMVGKCP-PHZGNYQRSA-N 0 1 357.458 0.998 20 30 FCEDMN CC(C)C#CC(=O)N(Cc1c[nH]nn1)C1CCN(CC(=O)NC(C)C)CC1 ZINC001575318861 1271919561 /nfs/dbraw/zinc/91/95/61/1271919561.db2.gz RULKFIYKLDFTFL-UHFFFAOYSA-N 0 1 374.489 0.782 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CC12CCN(C(=O)CCOCc1c[nH]nn1)CC2 ZINC001575318857 1271919898 /nfs/dbraw/zinc/91/98/98/1271919898.db2.gz RTXNKUXBSMVRIX-INIZCTEOSA-N 0 1 373.457 0.868 20 30 FCEDMN C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575329557 1271941747 /nfs/dbraw/zinc/94/17/47/1271941747.db2.gz BJXBDFGDLSNTKU-UWVGGRQHSA-N 0 1 351.374 0.502 20 30 FCEDMN CC(C)[C@H](CNC(=O)CCCc1c[nH]nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575340334 1271961485 /nfs/dbraw/zinc/96/14/85/1271961485.db2.gz XLACZSHZUMTION-HNNXBMFYSA-N 0 1 357.418 0.898 20 30 FCEDMN CC(C)[C@H](CNC(=O)CCCc1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001575340334 1271961496 /nfs/dbraw/zinc/96/14/96/1271961496.db2.gz XLACZSHZUMTION-HNNXBMFYSA-N 0 1 357.418 0.898 20 30 FCEDMN CC(C)OCC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001575423934 1272085460 /nfs/dbraw/zinc/08/54/60/1272085460.db2.gz MSEJMXGOPDEBEF-ZDUSSCGKSA-N 0 1 362.434 0.709 20 30 FCEDMN C[C@H](Oc1ccc(Oc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1)C(N)=O ZINC001575493269 1272168813 /nfs/dbraw/zinc/16/88/13/1272168813.db2.gz JGHLNTKKNWRREA-QMMMGPOBSA-N 0 1 352.314 0.573 20 30 FCEDMN C[C@@H](CCNC(=O)c1ccc(-c2cn[nH]n2)cn1)NC(=O)C#CC1CC1 ZINC001575540385 1272186442 /nfs/dbraw/zinc/18/64/42/1272186442.db2.gz SGWZNQAVYYZXAX-LBPRGKRZSA-N 0 1 352.398 0.905 20 30 FCEDMN C[C@H](CNC(=O)C#CC1CC1)N(C)C(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575566717 1272202227 /nfs/dbraw/zinc/20/22/27/1272202227.db2.gz LTRXCMKPWXLZNY-GFCCVEGCSA-N 0 1 352.398 0.857 20 30 FCEDMN C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575719226 1272369382 /nfs/dbraw/zinc/36/93/82/1272369382.db2.gz VQPGCWVHCQOMDO-OLZOCXBDSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001575736020 1272405499 /nfs/dbraw/zinc/40/54/99/1272405499.db2.gz SYHXKOLPWZMRCE-DIFFPNOSSA-N 0 1 371.401 0.331 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 ZINC001575739899 1272410257 /nfs/dbraw/zinc/41/02/57/1272410257.db2.gz COQMMXUMLNMMNR-NEPJUHHUSA-N 0 1 356.390 0.332 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 ZINC001575825728 1272486881 /nfs/dbraw/zinc/48/68/81/1272486881.db2.gz IHMKDERYDXTOPV-TZMCWYRMSA-N 0 1 370.417 0.499 20 30 FCEDMN C[C@H](OCc1cn[nH]n1)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001575830965 1272498645 /nfs/dbraw/zinc/49/86/45/1272498645.db2.gz YACLCDBLVFBHSF-BBRMVZONSA-N 0 1 354.414 0.972 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NCC1(C)CCN(C(=O)C#CC2CC2)CC1 ZINC001575855429 1272529521 /nfs/dbraw/zinc/52/95/21/1272529521.db2.gz UXAZAXUYXXCSFI-AWEZNQCLSA-N 0 1 373.457 0.868 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@H]1c2ccccc2CCN1CC#N ZINC001575864328 1272535814 /nfs/dbraw/zinc/53/58/14/1272535814.db2.gz VYGMAHSRGQECRE-GUYCJALGSA-N 0 1 354.414 0.949 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)NC[C@@H]1c2ccccc2CCN1CC#N ZINC001575864329 1272536440 /nfs/dbraw/zinc/53/64/40/1272536440.db2.gz VYGMAHSRGQECRE-SUMWQHHRSA-N 0 1 354.414 0.949 20 30 FCEDMN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C ZINC001575886337 1272546964 /nfs/dbraw/zinc/54/69/64/1272546964.db2.gz GHJYKUPAVCIBIF-JTNHKYCSSA-N 0 1 356.390 0.013 20 30 FCEDMN C[C@H](OCc1c[nH]nn1)C(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001575890240 1272550607 /nfs/dbraw/zinc/55/06/07/1272550607.db2.gz UOUWCBFKZDCYPK-AAEUAGOBSA-N 0 1 371.401 0.331 20 30 FCEDMN CC1(C)CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001575951368 1272588827 /nfs/dbraw/zinc/58/88/27/1272588827.db2.gz JPSVLNLNFKRSTK-CQSZACIVSA-N 0 1 370.417 0.722 20 30 FCEDMN C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001575999561 1272679080 /nfs/dbraw/zinc/67/90/80/1272679080.db2.gz OEVSMOZQQAXJQY-KRWDZBQOSA-N 0 1 371.401 0.332 20 30 FCEDMN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576295309 1273107714 /nfs/dbraw/zinc/10/77/14/1273107714.db2.gz VTHZVHHFHRZJMN-BMIGLBTASA-N 0 1 363.385 0.456 20 30 FCEDMN C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCN1CC(F)(F)F ZINC001576365115 1273187232 /nfs/dbraw/zinc/18/72/32/1273187232.db2.gz OEAPHTICUZNZLA-MRVPVSSYSA-N 0 1 353.312 0.601 20 30 FCEDMN CCN(C)C(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)C#CC2CC2)CC1 ZINC001576513166 1273392631 /nfs/dbraw/zinc/39/26/31/1273392631.db2.gz GIPCOWPGFSNKOF-UHFFFAOYSA-N 0 1 372.473 0.489 20 30 FCEDMN CCN(CCNC(=O)CCOCc1c[nH]nn1)c1ncc(C#N)cc1F ZINC001576533267 1273420948 /nfs/dbraw/zinc/42/09/48/1273420948.db2.gz QGZUDAWMMHQTKZ-UHFFFAOYSA-N 0 1 361.381 0.760 20 30 FCEDMN CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001576586024 1273466340 /nfs/dbraw/zinc/46/63/40/1273466340.db2.gz KCQNMRZXEHLHKJ-NVXWUHKLSA-N 0 1 373.457 0.521 20 30 FCEDMN CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001576586024 1273466343 /nfs/dbraw/zinc/46/63/43/1273466343.db2.gz KCQNMRZXEHLHKJ-NVXWUHKLSA-N 0 1 373.457 0.521 20 30 FCEDMN CC[C@@H]1[C@@H](NC(=O)CCOCc2c[nH]nn2)CCN1C(=O)C#CC1CC1 ZINC001576612101 1273480398 /nfs/dbraw/zinc/48/03/98/1273480398.db2.gz ALUKOZBPHILLHG-JKSUJKDBSA-N 0 1 359.430 0.621 20 30 FCEDMN CN(C[C@H]1CCN(C(=O)CCCc2c[nH]nn2)C1)C(=O)CSCC#N ZINC001576780266 1273665684 /nfs/dbraw/zinc/66/56/84/1273665684.db2.gz KATYCWOUGKXARS-CYBMUJFWSA-N 0 1 364.475 0.691 20 30 FCEDMN CN(C[C@H]1CCN(C(=O)CCCc2cnn[nH]2)C1)C(=O)CSCC#N ZINC001576780266 1273665691 /nfs/dbraw/zinc/66/56/91/1273665691.db2.gz KATYCWOUGKXARS-CYBMUJFWSA-N 0 1 364.475 0.691 20 30 FCEDMN CN(C[C@H]1CCN1C(=O)c1ccc(-c2cn[nH]n2)cn1)C(=O)C#CC1CC1 ZINC001576791319 1273689760 /nfs/dbraw/zinc/68/97/60/1273689760.db2.gz LTGTZRFKFTYCCI-OAHLLOKOSA-N 0 1 364.409 0.953 20 30 FCEDMN CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CCOCc1c[nH]nn1 ZINC001576798572 1273703177 /nfs/dbraw/zinc/70/31/77/1273703177.db2.gz HLJZCZQCLARDPH-UHFFFAOYSA-N 0 1 358.406 0.358 20 30 FCEDMN CN(CCNC(=O)C#CC1CC1)CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001576817480 1273738573 /nfs/dbraw/zinc/73/85/73/1273738573.db2.gz BVNGFQFRYGVSHD-UHFFFAOYSA-N 0 1 366.425 0.872 20 30 FCEDMN CN(CCNc1nccnc1C#N)C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001576834769 1273762712 /nfs/dbraw/zinc/76/27/12/1273762712.db2.gz WJKMWEZDEGXJGN-UHFFFAOYSA-N 0 1 369.433 0.249 20 30 FCEDMN COCCCC(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001576988808 1274017146 /nfs/dbraw/zinc/01/71/46/1274017146.db2.gz URNINIGWFUKJLC-ZDUSSCGKSA-N 0 1 362.434 0.711 20 30 FCEDMN COc1c(C(=O)N(Cc2c[nH]nn2)C2CCN(CC#N)CC2)cnn1C ZINC001577036586 1274097422 /nfs/dbraw/zinc/09/74/22/1274097422.db2.gz GHCBAEWYROGZBI-UHFFFAOYSA-N 0 1 358.406 0.177 20 30 FCEDMN Cc1cc(C#N)nc(N[C@@H](CNC(=O)[C@@H](C)OCc2c[nH]nn2)C2CC2)n1 ZINC001577256240 1274283404 /nfs/dbraw/zinc/28/34/04/1274283404.db2.gz KPBGTYUHPHUWQD-ABAIWWIYSA-N 0 1 370.417 0.687 20 30 FCEDMN Cc1ccc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)CCOCc2c[nH]nn2)n1 ZINC001577354592 1274367033 /nfs/dbraw/zinc/36/70/33/1274367033.db2.gz LGDOAKBKHSYNFI-HOTGVXAUSA-N 0 1 367.413 0.776 20 30 FCEDMN Cc1nc(NCCN(CCO)C(=O)[C@H](C)OCc2c[nH]nn2)ccc1C#N ZINC001577557730 1274501035 /nfs/dbraw/zinc/50/10/35/1274501035.db2.gz QDQMFSLSRYRHPS-ZDUSSCGKSA-N 0 1 373.417 0.218 20 30 FCEDMN Cc1cc(=O)[nH]c(N2CC[C@@H](Nc3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n1 ZINC001580763548 1278888380 /nfs/dbraw/zinc/88/83/80/1278888380.db2.gz CZVQHGQRYMMDCB-SECBINFHSA-N 0 1 365.361 0.023 20 30 FCEDMN N#C[C@@H]1CN(CC(=O)NC(=O)Nc2cccc(-c3cn[nH]n3)c2)CCO1 ZINC001577706409 1274766727 /nfs/dbraw/zinc/76/67/27/1274766727.db2.gz GAUATZNZSQTWHG-CYBMUJFWSA-N 0 1 355.358 0.344 20 30 FCEDMN N#CCNC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)c2ccoc2)CC1 ZINC001577706561 1274768145 /nfs/dbraw/zinc/76/81/45/1274768145.db2.gz LDRWRFNUPIDWCH-UHFFFAOYSA-N 0 1 371.401 0.144 20 30 FCEDMN N#CCN1CCN(CCCNC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001577706915 1274768191 /nfs/dbraw/zinc/76/81/91/1274768191.db2.gz YPDOZPWFKJUJBO-UHFFFAOYSA-N 0 1 354.418 0.128 20 30 FCEDMN N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCOCc2c[nH]nn2)c[nH]1 ZINC001577712217 1274771255 /nfs/dbraw/zinc/77/12/55/1274771255.db2.gz FDFRYVXCAXPTAT-HNNXBMFYSA-N 0 1 371.401 0.332 20 30 FCEDMN N#CCSCC(=O)N[C@H]1C[C@@H](NC(=O)CCCCc2cn[nH]n2)C1 ZINC001577710251 1274772826 /nfs/dbraw/zinc/77/28/26/1274772826.db2.gz UHUXTJXKETZRAW-BETUJISGSA-N 0 1 350.448 0.538 20 30 FCEDMN N#Cc1ccc(NC[C@@H]2CN(C(=O)CCOCc3c[nH]nn3)CCO2)cn1 ZINC001577714914 1274774126 /nfs/dbraw/zinc/77/41/26/1274774126.db2.gz BKNHNBWFXGNUCQ-MRXNPFEDSA-N 0 1 371.401 0.318 20 30 FCEDMN N#Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)nn1 ZINC001577717667 1274777067 /nfs/dbraw/zinc/77/70/67/1274777067.db2.gz MESWFNVLYLKQCA-AWEZNQCLSA-N 0 1 355.406 0.049 20 30 FCEDMN N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)cn1 ZINC001577719239 1274781212 /nfs/dbraw/zinc/78/12/12/1274781212.db2.gz NBHVXRCDYVXUQT-QWHCGFSZSA-N 0 1 370.417 0.913 20 30 FCEDMN N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)CCCc2c[nH]nn2)C1 ZINC001577719310 1274782771 /nfs/dbraw/zinc/78/27/71/1274782771.db2.gz PMPYVURAWCNOPG-UGSOOPFHSA-N 0 1 366.429 0.964 20 30 FCEDMN N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)CCCc2cnn[nH]2)C1 ZINC001577719310 1274782782 /nfs/dbraw/zinc/78/27/82/1274782782.db2.gz PMPYVURAWCNOPG-UGSOOPFHSA-N 0 1 366.429 0.964 20 30 FCEDMN N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577721638 1274786615 /nfs/dbraw/zinc/78/66/15/1274786615.db2.gz PMTNRXIFNITOFZ-HAQNSBGRSA-N 0 1 361.369 0.901 20 30 FCEDMN N#Cc1nccnc1N[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577721510 1274786745 /nfs/dbraw/zinc/78/67/45/1274786745.db2.gz MLAUKQYQXIIIIQ-LBPRGKRZSA-N 0 1 361.369 0.855 20 30 FCEDMN O=C(C#CC1CC1)NC1CN(C(=O)c2ccc(OCc3c[nH]nn3)cc2)C1 ZINC001577746393 1274822130 /nfs/dbraw/zinc/82/21/30/1274822130.db2.gz YHXHVHUOJJUWCI-UHFFFAOYSA-N 0 1 365.393 0.738 20 30 FCEDMN CCOC(=O)[C@H](CC1C[NH2+]C1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC001577914463 1275120604 /nfs/dbraw/zinc/12/06/04/1275120604.db2.gz QXZWPIAXKUDPJK-AWEZNQCLSA-N 0 1 357.476 0.921 20 30 FCEDMN O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577999994 1275253076 /nfs/dbraw/zinc/25/30/76/1275253076.db2.gz YADGXMPNOXYSOJ-WBVHZDCISA-N 0 1 370.457 0.147 20 30 FCEDMN CCN(c1ccnc(-c2nn[nH]n2)n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578194773 1275483588 /nfs/dbraw/zinc/48/35/88/1275483588.db2.gz NJFNXCPHZPPMEJ-SNVBAGLBSA-N 0 1 366.389 0.501 20 30 FCEDMN CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578921835 1276465146 /nfs/dbraw/zinc/46/51/46/1276465146.db2.gz YVOKQOVVQKYXDS-NSHDSACASA-N 0 1 364.373 0.207 20 30 FCEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001579116996 1276789205 /nfs/dbraw/zinc/78/92/05/1276789205.db2.gz RWGQLZGBHYISKY-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN CN(CCC[N@H+](C)Cc1ccncc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579116996 1276789234 /nfs/dbraw/zinc/78/92/34/1276789234.db2.gz RWGQLZGBHYISKY-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579116996 1276789241 /nfs/dbraw/zinc/78/92/41/1276789241.db2.gz RWGQLZGBHYISKY-UHFFFAOYSA-N 0 1 364.417 0.882 20 30 FCEDMN COC(=O)CN(CCC(F)(F)F)c1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001579449074 1277339169 /nfs/dbraw/zinc/33/91/69/1277339169.db2.gz IACCQSPPDQWZBA-UHFFFAOYSA-N 0 1 356.268 0.460 20 30 FCEDMN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC001579667840 1277742158 /nfs/dbraw/zinc/74/21/58/1277742158.db2.gz UCKRXXDJWWTGAZ-SQNIBIBYSA-N 0 1 357.458 0.779 20 30 FCEDMN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC001579667838 1277742889 /nfs/dbraw/zinc/74/28/89/1277742889.db2.gz UCKRXXDJWWTGAZ-KSZLIROESA-N 0 1 357.458 0.779 20 30 FCEDMN COc1ccc(-c2nn[nH]n2)cc1CN1CC([C@@H](C)NC(=O)[C@@H](C)C#N)C1 ZINC001579940462 1277971804 /nfs/dbraw/zinc/97/18/04/1277971804.db2.gz BQWSPXBACDFRKX-NWDGAFQWSA-N 0 1 369.429 0.971 20 30 FCEDMN N#C[C@@H]1CN(C(=O)[C@@H](N)CC(=O)OCc2ccccc2)CCN1C1CC1 ZINC001580041821 1277997328 /nfs/dbraw/zinc/99/73/28/1277997328.db2.gz IEQAGWYASTUJTN-SJORKVTESA-N 0 1 356.426 0.646 20 30 FCEDMN COc1ccc(OC)c([C@@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)c1 ZINC001580048124 1277999027 /nfs/dbraw/zinc/99/90/27/1277999027.db2.gz FHDAHGFDRDJRHR-LBPRGKRZSA-N 0 1 368.357 0.691 20 30 FCEDMN CC(C)C#CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001603190084 1287326908 /nfs/dbraw/zinc/32/69/08/1287326908.db2.gz VNJCXJKBVAAKHW-UONOGXRCSA-N 0 1 368.445 0.635 20 30 FCEDMN CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 ZINC001603200679 1287327547 /nfs/dbraw/zinc/32/75/47/1287327547.db2.gz ITHMFVWZGKKJPW-AWEZNQCLSA-N 0 1 355.402 0.878 20 30 FCEDMN Cc1cc(N(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580948040 1279153874 /nfs/dbraw/zinc/15/38/74/1279153874.db2.gz MVXSUTMBCSQRPE-UHFFFAOYSA-N 0 1 365.401 0.978 20 30 FCEDMN Cc1cc(N[C@@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994520 1279200444 /nfs/dbraw/zinc/20/04/44/1279200444.db2.gz NWMRFUBNOQYLTP-NSHDSACASA-N 0 1 365.401 0.764 20 30 FCEDMN Cc1cc(NC2(CNC(=O)[C@H](C)C#N)CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998898 1279213439 /nfs/dbraw/zinc/21/34/39/1279213439.db2.gz UCVSGPCLLKDVBA-LLVKDONJSA-N 0 1 354.418 0.993 20 30 FCEDMN Cc1cc(NC[C@@H](C2CC2)N(C)C(=O)[C@H](C)C#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011430 1279238463 /nfs/dbraw/zinc/23/84/63/1279238463.db2.gz KLEPAXKMYDOIDP-BMIGLBTASA-N 0 1 354.418 0.801 20 30 FCEDMN Cc1cc(NC[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013773 1279240081 /nfs/dbraw/zinc/24/00/81/1279240081.db2.gz VZBMQBSYXHWXIO-SNVBAGLBSA-N 0 1 365.401 0.670 20 30 FCEDMN Cc1cc(N[C@@H](C)CCNC(=O)CSCC#N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581034561 1279271928 /nfs/dbraw/zinc/27/19/28/1279271928.db2.gz RRMBQTGLGRFZOM-JTQLQIEISA-N 0 1 360.447 0.556 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1ncsc1Br ZINC001581860452 1280614416 /nfs/dbraw/zinc/61/44/16/1280614416.db2.gz AKOYVEGOXQQRPE-UHFFFAOYSA-N 0 1 352.181 0.784 20 30 FCEDMN N#Cc1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581864515 1280615697 /nfs/dbraw/zinc/61/56/97/1280615697.db2.gz ZMGKWRINAANLCM-LLVKDONJSA-N 0 1 363.385 0.458 20 30 FCEDMN N#Cc1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001581864516 1280616675 /nfs/dbraw/zinc/61/66/75/1280616675.db2.gz ZMGKWRINAANLCM-NSHDSACASA-N 0 1 363.385 0.458 20 30 FCEDMN N#Cc1cc(CNc2n[nH]c(N3CCOCC3)c2-c2nn[nH]n2)cs1 ZINC001581866811 1280620141 /nfs/dbraw/zinc/62/01/41/1280620141.db2.gz WDEJXWBIFLVJBQ-UHFFFAOYSA-N 0 1 357.403 0.972 20 30 FCEDMN N#Cc1ccc(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)[nH]1 ZINC001581867573 1280622326 /nfs/dbraw/zinc/62/23/26/1280622326.db2.gz NRYMJUQHDIYGDZ-UHFFFAOYSA-N 0 1 364.373 0.255 20 30 FCEDMN N#Cc1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)[nH]1 ZINC001581868033 1280625066 /nfs/dbraw/zinc/62/50/66/1280625066.db2.gz FIFSLFFFVUGAOD-UHFFFAOYSA-N 0 1 364.373 0.209 20 30 FCEDMN N#Cc1ncc(N2CC[C@@](O)(c3ccc(F)cc3)C2)nc1-c1nn[nH]n1 ZINC001581882113 1280640349 /nfs/dbraw/zinc/64/03/49/1280640349.db2.gz LPMPLKMOHREUAB-INIZCTEOSA-N 0 1 352.333 0.765 20 30 FCEDMN N#Cc1ncc(NC2CCN(C(=O)c3ccoc3)CC2)nc1-c1nn[nH]n1 ZINC001581882797 1280644669 /nfs/dbraw/zinc/64/46/69/1280644669.db2.gz HQUOBYGPKAGLGX-UHFFFAOYSA-N 0 1 365.357 0.838 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)nc1-c1nn[nH]n1 ZINC001581883350 1280647532 /nfs/dbraw/zinc/64/75/32/1280647532.db2.gz XBAJDXAKEGUTEM-LLVKDONJSA-N 0 1 368.405 0.620 20 30 FCEDMN N#Cc1ncc(N[C@@H]2CS(=O)(=O)Cc3ccccc32)nc1-c1nn[nH]n1 ZINC001581883211 1280648383 /nfs/dbraw/zinc/64/83/83/1280648383.db2.gz RNMYAXLMWXKXDT-GFCCVEGCSA-N 0 1 368.382 0.610 20 30 FCEDMN C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N ZINC001603726423 1287480733 /nfs/dbraw/zinc/48/07/33/1287480733.db2.gz IYZCWINEMAPYTP-SECBINFHSA-N 0 1 369.364 0.876 20 30 FCEDMN C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603920184 1287534885 /nfs/dbraw/zinc/53/48/85/1287534885.db2.gz KXSKUJWOIHZOJY-GXFFZTMASA-N 0 1 358.431 0.199 20 30 FCEDMN Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)nn1-c1cccc(C#N)c1 ZINC001586805068 1282315474 /nfs/dbraw/zinc/31/54/74/1282315474.db2.gz IWYPPBSQYXGEIN-OAHLLOKOSA-N 0 1 364.369 0.779 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001588338240 1282430267 /nfs/dbraw/zinc/43/02/67/1282430267.db2.gz IJPJTDMSEQMLSS-ZBFHGGJFSA-N 0 1 369.429 0.429 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001588338664 1282432823 /nfs/dbraw/zinc/43/28/23/1282432823.db2.gz NTJSIGZSPPFHLV-QWHCGFSZSA-N 0 1 354.418 0.934 20 30 FCEDMN C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001588339818 1282434563 /nfs/dbraw/zinc/43/45/63/1282434563.db2.gz WUAFXNUHAHKWLY-CZUORRHYSA-N 0 1 369.429 0.515 20 30 FCEDMN C#CCCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588340458 1282435880 /nfs/dbraw/zinc/43/58/80/1282435880.db2.gz QNWSVKMQGPMYHR-KRWDZBQOSA-N 0 1 370.417 0.172 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001588340701 1282436269 /nfs/dbraw/zinc/43/62/69/1282436269.db2.gz BJRLZCMPTPUPGC-UKRRQHHQSA-N 0 1 355.402 0.039 20 30 FCEDMN C#CCCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001588341499 1282437173 /nfs/dbraw/zinc/43/71/73/1282437173.db2.gz JLPSKQUYSLFJRE-QWHCGFSZSA-N 0 1 354.418 0.674 20 30 FCEDMN C#CCCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001588342547 1282438757 /nfs/dbraw/zinc/43/87/57/1282438757.db2.gz MYSOFLCASKZZFG-CYBMUJFWSA-N 0 1 370.417 0.172 20 30 FCEDMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCN(CCC#N)CC1 ZINC001635905919 1282440567 /nfs/dbraw/zinc/44/05/67/1282440567.db2.gz QCIHOHALLNFVQA-UHFFFAOYSA-N 0 1 367.413 0.548 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355599 1282455059 /nfs/dbraw/zinc/45/50/59/1282455059.db2.gz KDMBKCZKSIRKII-VXGBXAGGSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001588355599 1282455063 /nfs/dbraw/zinc/45/50/63/1282455063.db2.gz KDMBKCZKSIRKII-VXGBXAGGSA-N 0 1 362.459 0.903 20 30 FCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588356143 1282457906 /nfs/dbraw/zinc/45/79/06/1282457906.db2.gz TZZWJUWTCYFUIQ-ZIAGYGMSSA-N 0 1 369.429 0.775 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1 ZINC001588356834 1282462441 /nfs/dbraw/zinc/46/24/41/1282462441.db2.gz GOBORYFMDDURMU-GOEBONIOSA-N 0 1 368.441 0.938 20 30 FCEDMN C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588357804 1282467198 /nfs/dbraw/zinc/46/71/98/1282467198.db2.gz NKPFGFLCQHITDW-OLZOCXBDSA-N 0 1 374.420 0.981 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588359656 1282475851 /nfs/dbraw/zinc/47/58/51/1282475851.db2.gz WCAVIKIABSSRJQ-GFCCVEGCSA-N 0 1 360.443 0.659 20 30 FCEDMN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588359656 1282475854 /nfs/dbraw/zinc/47/58/54/1282475854.db2.gz WCAVIKIABSSRJQ-GFCCVEGCSA-N 0 1 360.443 0.659 20 30 FCEDMN C#CCOCCC(=O)N(CC)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588360431 1282477789 /nfs/dbraw/zinc/47/77/89/1282477789.db2.gz PLGUKLSAHCASOB-ZDUSSCGKSA-N 0 1 370.417 0.124 20 30 FCEDMN C#CCOCCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588361011 1282481029 /nfs/dbraw/zinc/48/10/29/1282481029.db2.gz BBMTYJGAARQUAT-CYBMUJFWSA-N 0 1 357.418 0.551 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588361400 1282483210 /nfs/dbraw/zinc/48/32/10/1282483210.db2.gz LQMJRWMFNDOLCS-UONOGXRCSA-N 0 1 369.429 0.420 20 30 FCEDMN C#CCOCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588362766 1282488400 /nfs/dbraw/zinc/48/84/00/1282488400.db2.gz SCZWMKHAOCKCPA-AWEZNQCLSA-N 0 1 369.429 0.695 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001588364470 1282491031 /nfs/dbraw/zinc/49/10/31/1282491031.db2.gz GLECMZNTGXCKLX-RYUDHWBXSA-N 0 1 362.397 0.679 20 30 FCEDMN C#Cc1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)cc1 ZINC001588371364 1282494134 /nfs/dbraw/zinc/49/41/34/1282494134.db2.gz DZZSCAQXHOZDPX-UHFFFAOYSA-N 0 1 374.408 0.825 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001588443730 1282507700 /nfs/dbraw/zinc/50/77/00/1282507700.db2.gz XNCIOEBRSSRTNW-AAEUAGOBSA-N 0 1 358.406 0.190 20 30 FCEDMN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001588448838 1282509435 /nfs/dbraw/zinc/50/94/35/1282509435.db2.gz GETZTNDNGGESQL-NEPJUHHUSA-N 0 1 354.418 0.694 20 30 FCEDMN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001588455849 1282512456 /nfs/dbraw/zinc/51/24/56/1282512456.db2.gz SSRKWQPVXDBCIU-CYBMUJFWSA-N 0 1 374.420 0.929 20 30 FCEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001588493668 1282523344 /nfs/dbraw/zinc/52/33/44/1282523344.db2.gz JVPOTZAEKHCZPR-YVEFUNNKSA-N 0 1 372.433 0.580 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588497316 1282526893 /nfs/dbraw/zinc/52/68/93/1282526893.db2.gz ZJFBYMSUKGGTMW-PSTGCABASA-N 0 1 356.434 0.988 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001588500953 1282534106 /nfs/dbraw/zinc/53/41/06/1282534106.db2.gz HECGCIQRVSAFJB-MRXNPFEDSA-N 0 1 372.433 0.247 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588502000 1282537575 /nfs/dbraw/zinc/53/75/75/1282537575.db2.gz PURRAZRWVICTQR-SJKOYZFVSA-N 0 1 372.433 0.459 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588503019 1282539232 /nfs/dbraw/zinc/53/92/32/1282539232.db2.gz WFUCGPVNVPPWHV-BONVTDFDSA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001588503019 1282539242 /nfs/dbraw/zinc/53/92/42/1282539242.db2.gz WFUCGPVNVPPWHV-BONVTDFDSA-N 0 1 350.448 0.850 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588505738 1282547908 /nfs/dbraw/zinc/54/79/08/1282547908.db2.gz WKTVVRGLQDSVHY-FZKQIMNGSA-N 0 1 371.445 0.982 20 30 FCEDMN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001588507213 1282549713 /nfs/dbraw/zinc/54/97/13/1282549713.db2.gz DRAHAGCHSJZTCU-IAISJRAMSA-N 0 1 371.445 0.981 20 30 FCEDMN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001588507214 1282550200 /nfs/dbraw/zinc/55/02/00/1282550200.db2.gz DRAHAGCHSJZTCU-UVBSCNOISA-N 0 1 371.445 0.981 20 30 FCEDMN C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001588521980 1282554856 /nfs/dbraw/zinc/55/48/56/1282554856.db2.gz XHWGCFNDSQGJNM-KGLIPLIRSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001588571525 1282570685 /nfs/dbraw/zinc/57/06/85/1282570685.db2.gz XWEYVFUHYBAHSI-QGZVFWFLSA-N 0 1 357.418 0.594 20 30 FCEDMN C=CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588588108 1282577793 /nfs/dbraw/zinc/57/77/93/1282577793.db2.gz DGOUZLKAGHCQOB-OLZOCXBDSA-N 0 1 372.433 0.463 20 30 FCEDMN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588609615 1282587760 /nfs/dbraw/zinc/58/77/60/1282587760.db2.gz YGTGNNAIOPSQHR-JHJVBQTASA-N 0 1 372.433 0.319 20 30 FCEDMN C=CCCOCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001588611117 1282588819 /nfs/dbraw/zinc/58/88/19/1282588819.db2.gz QWPITPUJCPBRJI-ZFWWWQNUSA-N 0 1 371.445 0.925 20 30 FCEDMN C=CCCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588615718 1282593392 /nfs/dbraw/zinc/59/33/92/1282593392.db2.gz FMGVUSBHRZDQGA-GFCCVEGCSA-N 0 1 358.406 0.334 20 30 FCEDMN C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001588615768 1282594302 /nfs/dbraw/zinc/59/43/02/1282594302.db2.gz GZPASGYKSZOAQS-XMQYKBBCSA-N 0 1 369.429 0.653 20 30 FCEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001588640652 1282605693 /nfs/dbraw/zinc/60/56/93/1282605693.db2.gz WLRNWWRLTWVATL-ZDUSSCGKSA-N 0 1 369.385 0.370 20 30 FCEDMN C=CCNC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001588658625 1282614184 /nfs/dbraw/zinc/61/41/84/1282614184.db2.gz CVWWTWHDOWAPRX-LBPRGKRZSA-N 0 1 372.433 0.081 20 30 FCEDMN C=CCOCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001588666952 1282623377 /nfs/dbraw/zinc/62/33/77/1282623377.db2.gz OORZZDDSZKKJJZ-QWHCGFSZSA-N 0 1 357.418 0.678 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nnn[n-]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001588700627 1282653276 /nfs/dbraw/zinc/65/32/76/1282653276.db2.gz VLLOCZFQUYUOTA-NSHDSACASA-N 0 1 369.437 0.565 20 30 FCEDMN C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001588699773 1282654382 /nfs/dbraw/zinc/65/43/82/1282654382.db2.gz MZUDQJAEQDSQKF-PWSUYJOCSA-N 0 1 368.405 0.650 20 30 FCEDMN C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001588708599 1282657941 /nfs/dbraw/zinc/65/79/41/1282657941.db2.gz JKLUUYANVVRNHO-QWRGUYRKSA-N 0 1 373.400 0.468 20 30 FCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001588719045 1282665420 /nfs/dbraw/zinc/66/54/20/1282665420.db2.gz WKKOOGTWDQJLAD-UPJWGTAASA-N 0 1 370.417 0.285 20 30 FCEDMN C[C@@H](C(=O)OCCOc1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001589029889 1282776344 /nfs/dbraw/zinc/77/63/44/1282776344.db2.gz IKIBEJUFQCZTGK-JTQLQIEISA-N 0 1 354.330 0.513 20 30 FCEDMN CC(C)(C)C#CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001589068854 1282791851 /nfs/dbraw/zinc/79/18/51/1282791851.db2.gz YEXUYOCALCADJW-LBPRGKRZSA-N 0 1 354.418 0.531 20 30 FCEDMN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001589384697 1282861704 /nfs/dbraw/zinc/86/17/04/1282861704.db2.gz NSDSAUXKNGXENK-ZIAGYGMSSA-N 0 1 368.445 0.635 20 30 FCEDMN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001589388312 1282868004 /nfs/dbraw/zinc/86/80/04/1282868004.db2.gz VVQJNSXTLGATSN-DLBZAZTESA-N 0 1 368.441 0.578 20 30 FCEDMN N#Cc1cnn(-c2ccc(C(=O)NCCN3CCC(O)CC3)cc2)c1N ZINC001640857058 1282908747 /nfs/dbraw/zinc/90/87/47/1282908747.db2.gz FCTPKQVIQMLADK-UHFFFAOYSA-N 0 1 354.414 0.513 20 30 FCEDMN CCN(c1ccnc(-c2nn[nH]n2)n1)[C@H](C)CNC(=O)CSCC#N ZINC001604331894 1287607601 /nfs/dbraw/zinc/60/76/01/1287607601.db2.gz GYXHABFQTIYABY-SNVBAGLBSA-N 0 1 361.435 0.244 20 30 FCEDMN CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001590100712 1283213252 /nfs/dbraw/zinc/21/32/52/1283213252.db2.gz QCCRXTKCNVPNDR-HNNXBMFYSA-N 0 1 351.414 0.746 20 30 FCEDMN COC(=O)c1cccn2cc(Cn3c(C)nc(-c4nn[nH]n4)c3C#N)nc12 ZINC001591304173 1284454422 /nfs/dbraw/zinc/45/44/22/1284454422.db2.gz JMWDJZUHTVEYMV-UHFFFAOYSA-N 0 1 363.341 0.726 20 30 FCEDMN COCCN(C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)c1ccc(C#N)cc1 ZINC001591418849 1284569104 /nfs/dbraw/zinc/56/91/04/1284569104.db2.gz IXLXZNQMQAURMN-NSHDSACASA-N 0 1 367.373 0.570 20 30 FCEDMN CSc1[nH]c(=O)c(C(=O)Nc2n[nH]c(C)c2C#N)cc1-c1nn[nH]n1 ZINC001591705959 1284849128 /nfs/dbraw/zinc/84/91/28/1284849128.db2.gz SBUSOLCXSWLHRU-UHFFFAOYSA-N 0 1 357.359 0.845 20 30 FCEDMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CSCC#N ZINC001591723333 1284856310 /nfs/dbraw/zinc/85/63/10/1284856310.db2.gz BMRXZBYRYGERTM-JTQLQIEISA-N 0 1 363.422 0.857 20 30 FCEDMN Cc1cc(N2CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002025 1285052978 /nfs/dbraw/zinc/05/29/78/1285052978.db2.gz UCNLAMBGZPPKTD-ZBFHGGJFSA-N 0 1 369.429 0.285 20 30 FCEDMN Cc1cc(NC2(CNC(=O)C#CC3CC3)CCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592033497 1285078528 /nfs/dbraw/zinc/07/85/28/1285078528.db2.gz HPEUCQNNGKMDIG-UHFFFAOYSA-N 0 1 351.414 0.856 20 30 FCEDMN Cc1cc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592034794 1285078690 /nfs/dbraw/zinc/07/86/90/1285078690.db2.gz NLRXNSKFIVLYMG-INIZCTEOSA-N 0 1 351.414 0.712 20 30 FCEDMN Cc1cc(NCCCNC(=O)c2c[nH]c(C#N)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047847 1285090409 /nfs/dbraw/zinc/09/04/09/1285090409.db2.gz QOPKFYLLEBYHEY-UHFFFAOYSA-N 0 1 351.374 0.424 20 30 FCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC001592334673 1285243555 /nfs/dbraw/zinc/24/35/55/1285243555.db2.gz DHEMAPAVYAFVON-RISCZKNCSA-N 0 1 372.433 0.955 20 30 FCEDMN Cc1nc(CN2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)cs1 ZINC001592361325 1285276879 /nfs/dbraw/zinc/27/68/79/1285276879.db2.gz KFFXZSVXIWUHCW-UHFFFAOYSA-N 0 1 368.430 0.616 20 30 FCEDMN C[C@H]1CN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC[N@H+]1CCC(=O)[O-] ZINC001604771611 1287773898 /nfs/dbraw/zinc/77/38/98/1287773898.db2.gz QJKNPUCWIQHVMW-UGSOOPFHSA-N 0 1 356.426 0.752 20 30 FCEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001604789328 1287782934 /nfs/dbraw/zinc/78/29/34/1287782934.db2.gz UJTBIWTYYUIRJS-AWEZNQCLSA-N 0 1 372.425 0.224 20 30 FCEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001604789328 1287782941 /nfs/dbraw/zinc/78/29/41/1287782941.db2.gz UJTBIWTYYUIRJS-AWEZNQCLSA-N 0 1 372.425 0.224 20 30 FCEDMN Cn1cc([C@@H](O)C[C@H]2CCCN2c2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 ZINC001592567734 1285480581 /nfs/dbraw/zinc/48/05/81/1285480581.db2.gz OQYYAASKYFQJEV-YPMHNXCESA-N 0 1 366.389 0.354 20 30 FCEDMN N#CCSCC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001592679254 1285576188 /nfs/dbraw/zinc/57/61/88/1285576188.db2.gz KNLVANRNIPHSTH-UHFFFAOYSA-N 0 1 358.431 0.603 20 30 FCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NCc1ccc(Cl)cc1 ZINC001592681390 1285582033 /nfs/dbraw/zinc/58/20/33/1285582033.db2.gz CMYYOAOZEPSFGH-UHFFFAOYSA-N 0 1 357.765 0.487 20 30 FCEDMN N#Cc1ncc(N[C@H]2CCN(c3ccccc3F)C2=O)nc1-c1nn[nH]n1 ZINC001592710139 1285596543 /nfs/dbraw/zinc/59/65/43/1285596543.db2.gz HGHQEBKABFKMCO-JTQLQIEISA-N 0 1 365.332 0.885 20 30 FCEDMN O=C(C#CC1CC1)N[C@@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592768672 1285693134 /nfs/dbraw/zinc/69/31/34/1285693134.db2.gz OJZMGEJDNAUVJJ-ZIAGYGMSSA-N 0 1 351.414 0.936 20 30 FCEDMN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CN2CCC1CC2 ZINC001593681683 1286211051 /nfs/dbraw/zinc/21/10/51/1286211051.db2.gz GVHMLKUUFZFBPN-WBMJQRKESA-N 0 1 362.455 0.435 20 30 FCEDMN N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCCN(CCC(=O)[O-])C3=O)C2)nc1 ZINC001601109139 1286635071 /nfs/dbraw/zinc/63/50/71/1286635071.db2.gz GRDSSAVSMGGWCP-HUUCEWRRSA-N 0 1 358.398 0.872 20 30 FCEDMN N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCCN(CCC(=O)[O-])C3=O)C2)nc1 ZINC001601109137 1286635977 /nfs/dbraw/zinc/63/59/77/1286635977.db2.gz GRDSSAVSMGGWCP-CABCVRRESA-N 0 1 358.398 0.872 20 30 FCEDMN N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C(=O)[O-])c1 ZINC001601112318 1286638638 /nfs/dbraw/zinc/63/86/38/1286638638.db2.gz YYIMKSOBBRACMD-STQMWFEESA-N 0 1 365.411 0.398 20 30 FCEDMN C#CCCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1OC ZINC001602702277 1287064083 /nfs/dbraw/zinc/06/40/83/1287064083.db2.gz CKWIAAJPYPPJIU-IAGOWNOFSA-N 0 1 368.441 0.986 20 30 FCEDMN C#CCN1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001602721501 1287075952 /nfs/dbraw/zinc/07/59/52/1287075952.db2.gz LXCFOKYCJYIRQP-ZDUSSCGKSA-N 0 1 369.429 0.524 20 30 FCEDMN C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001602726068 1287085876 /nfs/dbraw/zinc/08/58/76/1287085876.db2.gz BYBYZLVFSHYTCI-MGPQQGTHSA-N 0 1 369.429 0.489 20 30 FCEDMN C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602729288 1287095887 /nfs/dbraw/zinc/09/58/87/1287095887.db2.gz NDVWUOOSLSKGTO-UONOGXRCSA-N 0 1 369.429 0.563 20 30 FCEDMN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001602737449 1287098442 /nfs/dbraw/zinc/09/84/42/1287098442.db2.gz RRANTUUHVMMPCC-GJZGRUSLSA-N 0 1 372.392 0.741 20 30 FCEDMN C#Cc1ccc(C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1 ZINC001602739985 1287101595 /nfs/dbraw/zinc/10/15/95/1287101595.db2.gz RURPYHCUMFHTSG-LBPRGKRZSA-N 0 1 362.397 0.599 20 30 FCEDMN C#Cc1ccccc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001602742349 1287101876 /nfs/dbraw/zinc/10/18/76/1287101876.db2.gz BWBJUHDHZHATDI-INIZCTEOSA-N 0 1 373.420 0.920 20 30 FCEDMN C=C(CCC(=O)OC)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001602768149 1287106962 /nfs/dbraw/zinc/10/69/62/1287106962.db2.gz SOUUOLCOVAXJKK-UHFFFAOYSA-N 0 1 368.357 0.895 20 30 FCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001602770302 1287109257 /nfs/dbraw/zinc/10/92/57/1287109257.db2.gz WPMQWJRWUJQUID-OBJOEFQTSA-N 0 1 372.433 0.367 20 30 FCEDMN C=CC(C)(C)C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001602781171 1287113188 /nfs/dbraw/zinc/11/31/88/1287113188.db2.gz XFQZLELDNPNYHK-UHFFFAOYSA-N 0 1 371.445 0.661 20 30 FCEDMN C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001602790386 1287115432 /nfs/dbraw/zinc/11/54/32/1287115432.db2.gz KXUFZFVGBMGOPH-YVEFUNNKSA-N 0 1 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