smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000012465166 519009461 /nfs/dbraw/zinc/00/94/61/519009461.db2.gz SDATYLAYECXQEA-ONUIUJJFSA-N 0 1 428.561 6.580 40 30 IKEBMN CCCCCCCCCCCCCCCc1cc(=O)n(-c2nc3ccc(N)cc3s2)[nH]1 ZINC000104140608 519990694 /nfs/dbraw/zinc/99/06/94/519990694.db2.gz HNRCSLGXODUIDY-UHFFFAOYSA-N 0 1 442.673 7.453 40 30 IKEBMN CCCCOC(=O)C(=O)[C@H](C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977268 520700656 /nfs/dbraw/zinc/70/06/56/520700656.db2.gz ICLAEGNEUPSKPX-DNQXCXABSA-N 0 1 448.559 5.036 40 30 IKEBMN COc1c2c(cc3c1[C@@H](C/C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000036035051 521886318 /nfs/dbraw/zinc/88/63/18/521886318.db2.gz DXIVGIUXGUGYMH-NBHLSZMOSA-N 0 1 428.573 5.502 40 30 IKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1O ZINC000016194969 522973598 /nfs/dbraw/zinc/97/35/98/522973598.db2.gz MMKNEGWWHJENRT-VULFUBBASA-N 0 1 439.427 6.021 40 30 IKEBMN COc1ccccc1/N=C(\c1ccc(N(C)C)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000049967678 524327933 /nfs/dbraw/zinc/32/79/33/524327933.db2.gz DLYGLGJMKDZOBC-NVQSTNCTSA-N 0 1 449.598 6.542 40 30 IKEBMN Cc1ccc(S(=O)(=O)ON=C2C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)cc1 ZINC000073336589 525623541 /nfs/dbraw/zinc/62/35/41/525623541.db2.gz MTAKRODIHJFYMH-JWQCQUIFSA-N 0 1 434.561 5.265 40 30 IKEBMN NS(=O)(=O)c1ccc(-c2ccc(CN=Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000013127227 527306597 /nfs/dbraw/zinc/30/65/97/527306597.db2.gz LFSBVJDTPMSTJJ-LSFURLLWSA-N 0 1 444.727 5.000 40 30 IKEBMN FC(F)Oc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c(OC(F)F)c1 ZINC000012623305 527695740 /nfs/dbraw/zinc/69/57/40/527695740.db2.gz WAGSFOSOAXWFLG-TXNBCWFRSA-N 0 1 431.600 6.296 40 30 IKEBMN O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl ZINC000001657194 555708157 /nfs/dbraw/zinc/70/81/57/555708157.db2.gz DWTDAHZAAFLAKG-KPSZGOFPSA-N 0 1 432.543 5.266 40 30 IKEBMN COc1cc(C=Nn2c(=S)[nH]nc2C(C)C)ccc1OCc1c(F)cccc1Cl ZINC000001807366 555717596 /nfs/dbraw/zinc/71/75/96/555717596.db2.gz TWVAZBYEPPHGJF-AUEPDCJTSA-N 0 1 434.924 5.326 40 30 IKEBMN CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000005065305 556031062 /nfs/dbraw/zinc/03/10/62/556031062.db2.gz PCAIZXFSAQUOMS-WOLHVBPDSA-N 0 1 427.269 5.841 40 30 IKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408659198 556044119 /nfs/dbraw/zinc/04/41/19/556044119.db2.gz OVMUBXQXWGMBPH-DHRITJCHSA-N 0 1 425.319 5.905 40 30 IKEBMN Cn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408659198 556044121 /nfs/dbraw/zinc/04/41/21/556044121.db2.gz OVMUBXQXWGMBPH-DHRITJCHSA-N 0 1 425.319 5.905 40 30 IKEBMN Cn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408665631 556049550 /nfs/dbraw/zinc/04/95/50/556049550.db2.gz UMALMHYVGJDGLK-ZVHZXABRSA-N 0 1 435.325 5.361 40 30 IKEBMN CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408913348 556499330 /nfs/dbraw/zinc/49/93/30/556499330.db2.gz QBYXIXJLFCBHBY-WHMJDIIHSA-N 0 1 441.509 5.020 40 30 IKEBMN COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)cc1 ZINC000030823034 556507169 /nfs/dbraw/zinc/50/71/69/556507169.db2.gz PDUJMKBDRQIUOU-DEOSSOPVSA-N 0 1 430.529 5.577 40 30 IKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032114812 556531174 /nfs/dbraw/zinc/53/11/74/556531174.db2.gz PRJSIHAJRKCVJK-YCPBAFNGSA-N 0 1 443.793 6.099 40 30 IKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408945941 556546443 /nfs/dbraw/zinc/54/64/43/556546443.db2.gz XSLBOQDZPZXFRQ-JDTUQCDQSA-N 0 1 445.360 6.732 40 30 IKEBMN Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccco1 ZINC000016282699 556596814 /nfs/dbraw/zinc/59/68/14/556596814.db2.gz JDEHPFUTJPDYQZ-LSHDLFTRSA-N 0 1 433.689 5.712 40 30 IKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)c(Cl)c1 ZINC000016384301 556604262 /nfs/dbraw/zinc/60/42/62/556604262.db2.gz FSGZUFKEDFYESU-UFFVCSGVSA-N 0 1 430.129 5.049 40 30 IKEBMN CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000017002754 556652631 /nfs/dbraw/zinc/65/26/31/556652631.db2.gz PCAIZXFSAQUOMS-ASBHVJNYSA-N 0 1 427.269 5.841 40 30 IKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000017125933 556668931 /nfs/dbraw/zinc/66/89/31/556668931.db2.gz LJFCTAIRZSFJMR-NVJOKUIPSA-N 0 1 439.264 7.081 40 30 IKEBMN Cc1ccc2oc(-c3cc(/N=C\c4ccc(OCc5ccccc5)cc4)ccc3O)nc2c1 ZINC000018097027 556683833 /nfs/dbraw/zinc/68/38/33/556683833.db2.gz PQDNFSRPUPGFFE-RHANQZHGSA-N 0 1 434.495 6.838 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(F)c1 ZINC000135751682 556719829 /nfs/dbraw/zinc/71/98/29/556719829.db2.gz FTPXLSCKJZDFHU-YEWWOHFJSA-N 0 1 440.521 5.288 40 30 IKEBMN N=C1SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=C1c1nccs1 ZINC000137022426 556723069 /nfs/dbraw/zinc/72/30/69/556723069.db2.gz NLLSUPGNVUWQJE-BBBSXOBRSA-N 0 1 437.502 5.048 40 30 IKEBMN Oc1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1 ZINC000000861849 556723103 /nfs/dbraw/zinc/72/31/03/556723103.db2.gz CZAUDFNZIIGYPX-REZTVBANSA-N 0 1 436.474 5.163 40 30 IKEBMN Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000409075737 556776701 /nfs/dbraw/zinc/77/67/01/556776701.db2.gz ZXTDMHYTZNBKBT-KBKYJPHKSA-N 0 1 449.898 6.270 40 30 IKEBMN O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)c([N+](=O)[O-])c1 ZINC000409107325 556798584 /nfs/dbraw/zinc/79/85/84/556798584.db2.gz QXQHLCRULNBHGV-YSURURNPSA-N 0 1 447.329 5.155 40 30 IKEBMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000006239709 556830510 /nfs/dbraw/zinc/83/05/10/556830510.db2.gz RSPYGRYDGWNACG-HSZRJFAPSA-N 0 1 447.918 5.170 40 30 IKEBMN O=C(Nc1cccnc1)C(=NNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000008685332 556844828 /nfs/dbraw/zinc/84/48/28/556844828.db2.gz MAQGGHLEDDUYAG-RDRPBHBLSA-N 0 1 446.816 5.043 40 30 IKEBMN CCCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408915437 556890283 /nfs/dbraw/zinc/89/02/83/556890283.db2.gz YKDMNUQNUAMBHR-NMSSZPRHSA-N 0 1 441.509 5.022 40 30 IKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccccc1Br ZINC000408996041 556912233 /nfs/dbraw/zinc/91/22/33/556912233.db2.gz GSPLWWLUBOVWIZ-UUYOSTAYSA-N 0 1 425.355 5.912 40 30 IKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccccc1Br ZINC000408996041 556912238 /nfs/dbraw/zinc/91/22/38/556912238.db2.gz GSPLWWLUBOVWIZ-UUYOSTAYSA-N 0 1 425.355 5.912 40 30 IKEBMN CSc1ccccc1/N=C/c1cc(Br)cc(I)c1O ZINC000409104274 556952871 /nfs/dbraw/zinc/95/28/71/556952871.db2.gz HDDJSBJWCHCDJT-CAOOACKPSA-N 0 1 448.123 5.232 40 30 IKEBMN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)c1O ZINC000409090263 556951655 /nfs/dbraw/zinc/95/16/55/556951655.db2.gz LUXDHQRXXABAAS-DKZNWEEVSA-N 0 1 447.398 5.998 40 30 IKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)nc1 ZINC000409098562 556954082 /nfs/dbraw/zinc/95/40/82/556954082.db2.gz QKGBSPKXKDUESC-YPXUMCKCSA-N 0 1 440.252 6.432 40 30 IKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1 ZINC000409105763 556958527 /nfs/dbraw/zinc/95/85/27/556958527.db2.gz OKTIPRHQEITJRN-KVSWJAHQSA-N 0 1 449.860 6.178 40 30 IKEBMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000013940973 556975055 /nfs/dbraw/zinc/97/50/55/556975055.db2.gz UKHMSCAXIQKJQL-MYYYXRDXSA-N 0 1 446.532 5.086 40 30 IKEBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 ZINC000208247166 557080154 /nfs/dbraw/zinc/08/01/54/557080154.db2.gz VWVLDCHQXCLOTH-VTGBELTLSA-N 0 1 431.880 5.324 40 30 IKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408651577 557083520 /nfs/dbraw/zinc/08/35/20/557083520.db2.gz GWEJJSYZQXGMEB-STBIYBPSSA-N 0 1 429.527 6.176 40 30 IKEBMN Cn1c2ccccc2nc1NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408669929 557095856 /nfs/dbraw/zinc/09/58/56/557095856.db2.gz XPGOCFASVPFIKZ-DHRITJCHSA-N 0 1 425.319 5.905 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000408692631 557103808 /nfs/dbraw/zinc/10/38/08/557103808.db2.gz RFTQYNXITWOMIB-DHRITJCHSA-N 0 1 426.351 6.217 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408692508 557103869 /nfs/dbraw/zinc/10/38/69/557103869.db2.gz OBVVLJWKBVYQGS-VULFUBBASA-N 0 1 439.346 6.388 40 30 IKEBMN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702516 557124433 /nfs/dbraw/zinc/12/44/33/557124433.db2.gz GTQCREIGRBTDDK-OAQYLSRUSA-N 0 1 427.928 5.042 40 30 IKEBMN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Cl)cc(Cl)c1O ZINC000408742919 557150685 /nfs/dbraw/zinc/15/06/85/557150685.db2.gz UCSHEFULNOPKDU-ACAGNQJTSA-N 0 1 444.137 5.353 40 30 IKEBMN COc1c2c(cc3c1[C@@H](CC(/C=C\[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 ZINC000108234789 557168521 /nfs/dbraw/zinc/16/85/21/557168521.db2.gz SVSPODGIYWQUSW-ROTSNUHVSA-N 0 1 426.557 5.112 40 30 IKEBMN CCCCCCCCCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000100166341 557245542 /nfs/dbraw/zinc/24/55/42/557245542.db2.gz GJFPSZBVNADEQP-XTCLZLMSSA-N 0 1 427.545 6.569 40 30 IKEBMN O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693184 557318059 /nfs/dbraw/zinc/31/80/59/557318059.db2.gz DKTMGOWAHFWZTD-VERVWZFWSA-N 0 1 428.702 5.998 40 30 IKEBMN CCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC ZINC000014357131 557335395 /nfs/dbraw/zinc/33/53/95/557335395.db2.gz KWBBPTVVWSVTPF-ZTKZIYFRSA-N 0 1 441.575 5.206 40 30 IKEBMN COc1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163664 557424810 /nfs/dbraw/zinc/42/48/10/557424810.db2.gz PMCSJVLUTVSTSD-SGANQWHYSA-N 0 1 429.520 5.144 40 30 IKEBMN Brc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 ZINC000014408423 557443999 /nfs/dbraw/zinc/44/39/99/557443999.db2.gz UZIYNKIVXDCNLV-YDZHTSKRSA-N 0 1 438.350 6.084 40 30 IKEBMN Brc1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000014408423 557444003 /nfs/dbraw/zinc/44/40/03/557444003.db2.gz UZIYNKIVXDCNLV-YDZHTSKRSA-N 0 1 438.350 6.084 40 30 IKEBMN Cc1c(Br)cc(C=NN=c2[nH]c3ccccc3s2)cc1Br ZINC000014408403 557444067 /nfs/dbraw/zinc/44/40/67/557444067.db2.gz BHTFTSWDQMGSPU-QGMBQPNBSA-N 0 1 425.149 5.576 40 30 IKEBMN Brc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1 ZINC000014408430 557444108 /nfs/dbraw/zinc/44/41/08/557444108.db2.gz OUWAGWDEDUGJFM-YDZHTSKRSA-N 0 1 438.350 6.084 40 30 IKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000104099761 557450030 /nfs/dbraw/zinc/45/00/30/557450030.db2.gz LAGMNEWJJIXYGR-FSJBWODESA-N 0 1 435.332 5.559 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)SC2=N)s1 ZINC000033535117 557808299 /nfs/dbraw/zinc/80/82/99/557808299.db2.gz HMBJRYXRASHMAK-RMMZUQQZSA-N 0 1 436.606 5.543 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1Cl ZINC000059034387 557813592 /nfs/dbraw/zinc/81/35/92/557813592.db2.gz REXOCEMJDCCSSH-AFUMVMLFSA-N 0 1 437.952 6.373 40 30 IKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccccc1Cl ZINC000059034387 557813594 /nfs/dbraw/zinc/81/35/94/557813594.db2.gz REXOCEMJDCCSSH-AFUMVMLFSA-N 0 1 437.952 6.373 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1F ZINC000059194429 557818227 /nfs/dbraw/zinc/81/82/27/557818227.db2.gz SPWFUDRLHHVJCE-AFUMVMLFSA-N 0 1 435.480 5.499 40 30 IKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059194441 557818233 /nfs/dbraw/zinc/81/82/33/557818233.db2.gz ZJNZJUVYELLIQS-WYMPLXKRSA-N 0 1 442.327 6.268 40 30 IKEBMN Clc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2[nH]1 ZINC000059417075 557822782 /nfs/dbraw/zinc/82/27/82/557822782.db2.gz KHUZKZFEAOBHKS-JFLMPSFJSA-N 0 1 426.907 6.395 40 30 IKEBMN O=C(Oc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1Cl ZINC000059417093 557822835 /nfs/dbraw/zinc/82/28/35/557822835.db2.gz GDGYJVGDIYATGK-WYMPLXKRSA-N 0 1 425.275 5.535 40 30 IKEBMN CCCCc1ccc(CN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)s1 ZINC000585293767 568632374 /nfs/dbraw/zinc/63/23/74/568632374.db2.gz LZBWPZJJALWKKF-DEOSSOPVSA-N 0 1 446.624 5.927 40 30 IKEBMN Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccc(CC(C)C)s2)n1 ZINC000585293556 568632975 /nfs/dbraw/zinc/63/29/75/568632975.db2.gz ITSBQRVNKHGDOV-DEOSSOPVSA-N 0 1 446.624 5.783 40 30 IKEBMN Cc1c2ccccc2[nH]c1CN1CCCC[C@H]1c1cc(Nc2ccc(C#N)nc2)nc(C)n1 ZINC000585295087 568633106 /nfs/dbraw/zinc/63/31/06/568633106.db2.gz ZPNHYEPCIOGBQE-VWLOTQADSA-N 0 1 437.551 5.312 40 30 IKEBMN Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2cc(F)ccc21 ZINC000585294733 568633154 /nfs/dbraw/zinc/63/31/54/568633154.db2.gz IOLVYNHEVUDIKJ-DEOSSOPVSA-N 0 1 426.499 5.060 40 30 IKEBMN Cc1ccc([C@@H]2[C@H](Cc3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]2(C#N)C(N)=O)c(C)c1 ZINC000101874051 568860489 /nfs/dbraw/zinc/86/04/89/568860489.db2.gz FVNDPQVCVJFAHY-NFWVVERESA-N 0 1 433.555 5.035 40 30 IKEBMN Cc1cc(C)c(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3O)cc2)c(C)c1 ZINC000033586437 569261764 /nfs/dbraw/zinc/26/17/64/569261764.db2.gz WNIVOEVYZGIUOH-YFPORYOGSA-N 0 1 434.586 6.065 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=N)s1 ZINC000034894879 569262004 /nfs/dbraw/zinc/26/20/04/569262004.db2.gz BQFQPHFRRGAEBR-IHPXMYKLSA-N 0 1 443.638 5.819 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000038179855 569262151 /nfs/dbraw/zinc/26/21/51/569262151.db2.gz GVIKTYRRIOUFQX-ZMOGYAJESA-N 0 1 439.855 5.355 40 30 IKEBMN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)c3)nc2c1 ZINC000038180022 569262158 /nfs/dbraw/zinc/26/21/58/569262158.db2.gz FFPZZKBAGURHEH-NXYZXBHKSA-N 0 1 445.475 6.381 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)SC2=N)s1 ZINC000108019481 569262391 /nfs/dbraw/zinc/26/23/91/569262391.db2.gz JYDOMNITMMCAAR-PYXFXZIOSA-N 0 1 436.606 5.543 40 30 IKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000138020620 569262683 /nfs/dbraw/zinc/26/26/83/569262683.db2.gz VEMWTKDRONDLNC-GZPWUMDQSA-N 0 1 435.618 6.266 40 30 IKEBMN CCN1c2cc(C)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C ZINC000208322734 569262751 /nfs/dbraw/zinc/26/27/51/569262751.db2.gz BRPFAJXIVMIAOT-LJGKHRNASA-N 0 1 425.489 5.370 40 30 IKEBMN CC(C)N1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C ZINC000260569723 569281304 /nfs/dbraw/zinc/28/13/04/569281304.db2.gz ROMDTCNGUVCSEB-LJGKHRNASA-N 0 1 425.489 5.450 40 30 IKEBMN Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)c1 ZINC000003050033 569438964 /nfs/dbraw/zinc/43/89/64/569438964.db2.gz INBUAJPSCZSKAK-BHGWPJFGSA-N 0 1 441.712 6.675 40 30 IKEBMN Cc1c(Cl)c(C)c(/C=N/c2cc(-c3ccccc3)ccc2O)c(O)c1Br ZINC000003068532 569439777 /nfs/dbraw/zinc/43/97/77/569439777.db2.gz WLOHQRDRFSRNKE-BHGWPJFGSA-N 0 1 430.729 6.548 40 30 IKEBMN COc1c2c(cc3c1[C@H](C/C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000036035052 521888360 /nfs/dbraw/zinc/88/83/60/521888360.db2.gz DXIVGIUXGUGYMH-QRUUQNQBSA-N 0 1 428.573 5.502 40 30 IKEBMN N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(Cl)c1[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000012364100 526532734 /nfs/dbraw/zinc/53/27/34/526532734.db2.gz HOPHACXAULVFIX-KBKYJPHKSA-N 0 1 442.371 5.941 40 30 IKEBMN N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(Cl)c1[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000012364100 526532741 /nfs/dbraw/zinc/53/27/41/526532741.db2.gz HOPHACXAULVFIX-KBKYJPHKSA-N 0 1 442.371 5.941 40 30 IKEBMN O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000100404182 527144482 /nfs/dbraw/zinc/14/44/82/527144482.db2.gz ZSWLOYHPSHLOFC-FXFSXJFASA-N 0 1 435.936 5.505 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccc(F)cc1 ZINC000035352493 556081035 /nfs/dbraw/zinc/08/10/35/556081035.db2.gz QRJBCIDGWWQNKY-OKYLLYMWSA-N 0 1 440.521 5.288 40 30 IKEBMN CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408913346 556498366 /nfs/dbraw/zinc/49/83/66/556498366.db2.gz QBYXIXJLFCBHBY-AQQMAPHHSA-N 0 1 441.509 5.020 40 30 IKEBMN Oc1ccccc1C=Nc1ccc(-c2nc3ccc(N=Cc4ccccc4O)cc3[nH]2)cc1 ZINC000016449079 556609017 /nfs/dbraw/zinc/60/90/17/556609017.db2.gz AWUNALUYKQQNCJ-LPHFKDDMSA-N 0 1 432.483 6.142 40 30 IKEBMN Oc1c(Cl)cc(Br)cc1/C=N\c1ccc(-c2nc3ccccc3o2)cc1 ZINC000016545317 556614700 /nfs/dbraw/zinc/61/47/00/556614700.db2.gz OZQVSUJOSJMMDH-KSEXSDGBSA-N 0 1 427.685 6.367 40 30 IKEBMN CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000017002750 556652709 /nfs/dbraw/zinc/65/27/09/556652709.db2.gz PCAIZXFSAQUOMS-CWYRIDLXSA-N 0 1 427.269 5.841 40 30 IKEBMN Oc1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cs1 ZINC000017060929 556654750 /nfs/dbraw/zinc/65/47/50/556654750.db2.gz ZSQVWGNKELPHOV-UFWORHAWSA-N 0 1 438.144 5.791 40 30 IKEBMN C=CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c1 ZINC000226344861 556684888 /nfs/dbraw/zinc/68/48/88/556684888.db2.gz TVKFBNPELPZUGW-UHFFFAOYSA-N 0 1 426.097 5.642 40 30 IKEBMN CCCOc1c(Br)cc(C=NN=c2[nH]c3ccccc3s2)cc1OCC ZINC000169890412 556690551 /nfs/dbraw/zinc/69/05/51/556690551.db2.gz CQHCWECBVOKLFE-MTJSOVHGSA-N 0 1 434.359 5.692 40 30 IKEBMN CCCOc1c(Br)cc(C=[NH+][N-]c2nc3ccccc3s2)cc1OCC ZINC000169890412 556690553 /nfs/dbraw/zinc/69/05/53/556690553.db2.gz CQHCWECBVOKLFE-MTJSOVHGSA-N 0 1 434.359 5.692 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)SC2=N)s1 ZINC000136336840 556722475 /nfs/dbraw/zinc/72/24/75/556722475.db2.gz QQKAWCBLQQWTDL-AWQJBHPZSA-N 0 1 426.542 5.065 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=N)s1 ZINC000136765655 556722613 /nfs/dbraw/zinc/72/26/13/556722613.db2.gz QZLRWJMYVFDXQI-AWQJBHPZSA-N 0 1 442.997 5.579 40 30 IKEBMN N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(O)=C1c1nccs1 ZINC000137369549 556723549 /nfs/dbraw/zinc/72/35/49/556723549.db2.gz PRUIOZILTKEDFV-JQHCICQGSA-N 0 1 442.565 6.293 40 30 IKEBMN C#CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409071425 556774611 /nfs/dbraw/zinc/77/46/11/556774611.db2.gz OFUVHWKKBVVMFG-NUGSKGIGSA-N 0 1 432.185 5.378 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl ZINC000409094987 556794297 /nfs/dbraw/zinc/79/42/97/556794297.db2.gz GQWWWNHWBFGUKU-KVSWJAHQSA-N 0 1 449.860 6.178 40 30 IKEBMN CCOc1cc(OCC)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409103267 556796174 /nfs/dbraw/zinc/79/61/74/556796174.db2.gz GGFVMYSKKNLYDA-NUGSKGIGSA-N 0 1 432.240 5.106 40 30 IKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(C)c1 ZINC000409104540 556797790 /nfs/dbraw/zinc/79/77/90/556797790.db2.gz JPGGZQZTNFFNSE-IPBVOBEMSA-N 0 1 449.860 6.096 40 30 IKEBMN O=[N+]([O-])c1ccc(Sc2ccccc2)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409110055 556800289 /nfs/dbraw/zinc/80/02/89/556800289.db2.gz QJRMEMCMJQYLSS-UDWIEESQSA-N 0 1 439.409 5.008 40 30 IKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000008935002 556852798 /nfs/dbraw/zinc/85/27/98/556852798.db2.gz XAILHJSBALYCLU-FOKLQQMPSA-N 0 1 427.685 6.367 40 30 IKEBMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000019860967 556933350 /nfs/dbraw/zinc/93/33/50/556933350.db2.gz KPZGAVGMRRUEKF-MYYYXRDXSA-N 0 1 430.533 5.386 40 30 IKEBMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1OCc1ccccc1 ZINC000019860969 556933434 /nfs/dbraw/zinc/93/34/34/556933434.db2.gz MCLSZYHOJNIQLB-MYYYXRDXSA-N 0 1 430.533 5.386 40 30 IKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc(Br)c1 ZINC000409064286 556940942 /nfs/dbraw/zinc/94/09/42/556940942.db2.gz OSOHQWOCRVXBGS-WSDLNYQXSA-N 0 1 425.355 5.912 40 30 IKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cccc(Br)c1 ZINC000409064286 556940946 /nfs/dbraw/zinc/94/09/46/556940946.db2.gz OSOHQWOCRVXBGS-WSDLNYQXSA-N 0 1 425.355 5.912 40 30 IKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000409098610 556954114 /nfs/dbraw/zinc/95/41/14/556954114.db2.gz QUZMDLXNPVQLAN-NUGSKGIGSA-N 0 1 431.798 5.509 40 30 IKEBMN CCOc1ccc(/N=C2/SC(Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000409144434 556975997 /nfs/dbraw/zinc/97/59/97/556975997.db2.gz YMCPOVCJAKYXIM-ZELUPATCSA-N 0 1 442.581 5.077 40 30 IKEBMN CCOc1ccc(/N=C2/SC(Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000409144430 556976002 /nfs/dbraw/zinc/97/60/02/556976002.db2.gz YMCPOVCJAKYXIM-GJQPQMNHSA-N 0 1 442.581 5.077 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409212830 557007292 /nfs/dbraw/zinc/00/72/92/557007292.db2.gz QXZNQHUNCUBXET-FMCGGJTJSA-N 0 1 435.465 5.237 40 30 IKEBMN COc1ccc(N=Cc2ccc(Sc3nc(-c4ccccc4)n[nH]3)c([N+](=O)[O-])c2)cc1 ZINC000409195477 557011119 /nfs/dbraw/zinc/01/11/19/557011119.db2.gz VIFJLOAICRUZTJ-OEAKJJBVSA-N 0 1 431.477 5.290 40 30 IKEBMN Cc1c(C=NN=c2[nH]c3ccccc3n2C)c2ccccc2n1Cc1ccccc1Cl ZINC000408659687 557094868 /nfs/dbraw/zinc/09/48/68/557094868.db2.gz PAMDGDFKJSTHJQ-JFLMPSFJSA-N 0 1 427.939 5.984 40 30 IKEBMN Cn1c2ccccc2nc1NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408659025 557095055 /nfs/dbraw/zinc/09/50/55/557095055.db2.gz OQTNECMMUKGSEC-LQKURTRISA-N 0 1 440.934 6.405 40 30 IKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccccc1Cl ZINC000408661529 557095555 /nfs/dbraw/zinc/09/55/55/557095555.db2.gz QTNHNHBWLRUJQZ-CVKSISIWSA-N 0 1 434.927 5.650 40 30 IKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccc(C)c(Br)c1 ZINC000408671472 557096204 /nfs/dbraw/zinc/09/62/04/557096204.db2.gz YTXSLLYOUYDGMF-ZMOGYAJESA-N 0 1 436.357 5.498 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408692455 557103500 /nfs/dbraw/zinc/10/35/00/557103500.db2.gz MVJLPJSOEBFZJT-VULFUBBASA-N 0 1 439.346 6.388 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408692455 557103503 /nfs/dbraw/zinc/10/35/03/557103503.db2.gz MVJLPJSOEBFZJT-VULFUBBASA-N 0 1 439.346 6.388 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408692429 557103512 /nfs/dbraw/zinc/10/35/12/557103512.db2.gz MGPZFPOODILGPY-JFLMPSFJSA-N 0 1 427.939 6.159 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000408692680 557103734 /nfs/dbraw/zinc/10/37/34/557103734.db2.gz SAQMERHBVVPBIR-CVKSISIWSA-N 0 1 434.927 5.743 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408692592 557103799 /nfs/dbraw/zinc/10/37/99/557103799.db2.gz QEIXXWTYSQVCGT-ZVHZXABRSA-N 0 1 436.357 5.672 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000408692605 557103825 /nfs/dbraw/zinc/10/38/25/557103825.db2.gz QNZKDVWFXMUPLT-DHRITJCHSA-N 0 1 426.351 6.217 40 30 IKEBMN Cc1ccc(/N=C\c2cc(Br)cc(I)c2O)c(C)c1 ZINC000102648736 557130799 /nfs/dbraw/zinc/13/07/99/557130799.db2.gz FCDVGNSNPXXYGR-LSCVHKIXSA-N 0 1 430.083 5.127 40 30 IKEBMN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)cc1 ZINC000408759846 557178051 /nfs/dbraw/zinc/17/80/51/557178051.db2.gz MTCOMCNYFAKUOV-NVNXTCNLSA-N 0 1 437.746 5.262 40 30 IKEBMN CCOc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O ZINC000038162407 557223182 /nfs/dbraw/zinc/22/31/82/557223182.db2.gz AIDVLLPQRVBAGZ-FBCYGCLPSA-N 0 1 449.526 5.426 40 30 IKEBMN COc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O ZINC000038162402 557223213 /nfs/dbraw/zinc/22/32/13/557223213.db2.gz DAOXQTZFEUBBGE-NGYBGAFCSA-N 0 1 435.499 5.035 40 30 IKEBMN O=C(C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000100404186 557260080 /nfs/dbraw/zinc/26/00/80/557260080.db2.gz ZSWLOYHPSHLOFC-UAPGPWSHSA-N 0 1 435.936 5.505 40 30 IKEBMN O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693171 557318010 /nfs/dbraw/zinc/31/80/10/557318010.db2.gz DKTMGOWAHFWZTD-YTEVENLXSA-N 0 1 428.702 5.998 40 30 IKEBMN CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c(O)c1 ZINC000104391351 557326417 /nfs/dbraw/zinc/32/64/17/557326417.db2.gz SFKBCHSNVQZYJD-XLVZBRSZSA-N 0 1 438.616 5.927 40 30 IKEBMN Cc1c(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000014134279 557422444 /nfs/dbraw/zinc/42/24/44/557422444.db2.gz KLTWPDOFYMBBDS-UVHMKAGCSA-N 0 1 448.357 6.627 40 30 IKEBMN COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163668 557424665 /nfs/dbraw/zinc/42/46/65/557424665.db2.gz PMCSJVLUTVSTSD-BZQUYTCOSA-N 0 1 429.520 5.144 40 30 IKEBMN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000016637020 557474914 /nfs/dbraw/zinc/47/49/14/557474914.db2.gz AGTQGOBQANRZKM-ZVBGSRNCSA-N 0 1 430.129 5.951 40 30 IKEBMN Cc1cc2c(cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=CC(C)(C)N2C(C)C ZINC000223500984 557479681 /nfs/dbraw/zinc/47/96/81/557479681.db2.gz BQGMLCBEZSUTCO-ZMOGYAJESA-N 0 1 437.500 5.668 40 30 IKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000017101974 557490737 /nfs/dbraw/zinc/49/07/37/557490737.db2.gz AMIUUJYTQBRGGW-ZLOXQWCVSA-N 0 1 438.358 6.433 40 30 IKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)cc3)nc2c1 ZINC000019643260 557504214 /nfs/dbraw/zinc/50/42/14/557504214.db2.gz DEXZBHXZJUAWPP-IXORVSQSSA-N 0 1 445.475 6.381 40 30 IKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000004506597 557536835 /nfs/dbraw/zinc/53/68/35/557536835.db2.gz BIQMPKOUVFGZMK-QRQIAZFYSA-N 0 1 436.584 7.094 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059194469 557818281 /nfs/dbraw/zinc/81/82/81/557818281.db2.gz XJMAKCOIROEIAA-MFKUBSTISA-N 0 1 431.517 5.669 40 30 IKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059194469 557818284 /nfs/dbraw/zinc/81/82/84/557818284.db2.gz XJMAKCOIROEIAA-MFKUBSTISA-N 0 1 431.517 5.669 40 30 IKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(Cl)cc1Cl ZINC000059422060 557823450 /nfs/dbraw/zinc/82/34/50/557823450.db2.gz UUZVVXUCOREXLX-WYMPLXKRSA-N 0 1 442.327 6.268 40 30 IKEBMN CCCCc1ccc(CN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)s1 ZINC000585293770 568633163 /nfs/dbraw/zinc/63/31/63/568633163.db2.gz LZBWPZJJALWKKF-XMMPIXPASA-N 0 1 446.624 5.927 40 30 IKEBMN N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 ZINC000585292896 568633228 /nfs/dbraw/zinc/63/32/28/568633228.db2.gz AZHGXZOSMNVQEK-VWLOTQADSA-N 0 1 439.563 5.750 40 30 IKEBMN N=C1SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=C1c1nccs1 ZINC000033627049 569261689 /nfs/dbraw/zinc/26/16/89/569261689.db2.gz NLLSUPGNVUWQJE-RBTJZALWSA-N 0 1 437.502 5.048 40 30 IKEBMN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)c3)nc2c1 ZINC000038180023 569262162 /nfs/dbraw/zinc/26/21/62/569262162.db2.gz FFPZZKBAGURHEH-IXORVSQSSA-N 0 1 445.475 6.381 40 30 IKEBMN N=C1SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(O)=C1c1nccs1 ZINC000108043445 569262404 /nfs/dbraw/zinc/26/24/04/569262404.db2.gz SSVHSOCGXZOHPM-RBTJZALWSA-N 0 1 437.502 5.048 40 30 IKEBMN CCOC(=O)c1sc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C#N)c1C ZINC000057313749 569284441 /nfs/dbraw/zinc/28/44/41/569284441.db2.gz HEOXAODFNZWIMQ-UHFFFAOYSA-N 0 1 449.897 5.134 40 30 IKEBMN Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000003060154 569439516 /nfs/dbraw/zinc/43/95/16/569439516.db2.gz BNCSVCOGKZIIOS-SSDVNMTOSA-N 0 1 425.307 5.888 40 30 IKEBMN Brc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682399 518209983 /nfs/dbraw/zinc/20/99/83/518209983.db2.gz JEYYRFVFUFXRQW-ONUIUJJFSA-N 0 1 432.365 5.171 40 30 IKEBMN CC(C)(C)c1cc(C(=O)Nc2nnc(CCN3CCCCC3)s2)cc(C(C)(C)C)c1 ZINC000051145344 518990715 /nfs/dbraw/zinc/99/07/15/518990715.db2.gz DQXFCJYKFYELSY-UHFFFAOYSA-N 0 1 428.646 5.798 40 30 IKEBMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3cccs3)[C@@H]2c2ccccc2)C1 ZINC000012652067 520261867 /nfs/dbraw/zinc/26/18/67/520261867.db2.gz DNZMYUGACKGLFJ-XMMPIXPASA-N 0 1 428.557 6.205 40 30 IKEBMN Cc1ccc(NC(=O)COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1C ZINC000035415577 525070723 /nfs/dbraw/zinc/07/07/23/525070723.db2.gz NHCPPJWOIKBRJX-QFEZKATASA-N 0 1 430.533 5.377 40 30 IKEBMN Cc1ccc(NC(=O)COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1C ZINC000035415577 525070732 /nfs/dbraw/zinc/07/07/32/525070732.db2.gz NHCPPJWOIKBRJX-QFEZKATASA-N 0 1 430.533 5.377 40 30 IKEBMN Cc1ccc(S(=O)(=O)ON=C2C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)cc1 ZINC000073336581 525623183 /nfs/dbraw/zinc/62/31/83/525623183.db2.gz MTAKRODIHJFYMH-PLQXJYEYSA-N 0 1 434.561 5.265 40 30 IKEBMN Clc1ccc(N=C(C=CNc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1 ZINC000101062805 526941117 /nfs/dbraw/zinc/94/11/17/526941117.db2.gz LUPXJMMBJSUUAZ-HNCIKHADSA-N 0 1 446.175 7.503 40 30 IKEBMN Oc1c(I)cc(Br)cc1/C=N\c1ccccc1Cl ZINC000409096425 556953111 /nfs/dbraw/zinc/95/31/11/556953111.db2.gz JSJDJGVLIOLNOP-IDUWFGFVSA-N 0 1 436.474 5.163 40 30 IKEBMN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000001203654 555679673 /nfs/dbraw/zinc/67/96/73/555679673.db2.gz DRYWKCKCWHVDNX-ZVBGSRNCSA-N 0 1 436.762 6.050 40 30 IKEBMN CC(=N\N(Cc1ccccc1)c1ccccc1)/C(C)=N/N(Cc1ccccc1)c1ccccc1 ZINC000005004068 556027417 /nfs/dbraw/zinc/02/74/17/556027417.db2.gz SOLCRAFWRRSRRT-YESHOFFLSA-N 0 1 446.598 7.152 40 30 IKEBMN Cn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408656959 556037195 /nfs/dbraw/zinc/03/71/95/556037195.db2.gz MPLCSIGHORBVBU-DHRITJCHSA-N 0 1 425.319 5.905 40 30 IKEBMN CCOC(=O)c1cccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)c1 ZINC000408692044 556094054 /nfs/dbraw/zinc/09/40/54/556094054.db2.gz CBPKHYZTSXSOKL-WGOQTCKBSA-N 0 1 429.524 5.086 40 30 IKEBMN Brc1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000008767966 556212630 /nfs/dbraw/zinc/21/26/30/556212630.db2.gz HMOHOKMTXDYJBL-YDZHTSKRSA-N 0 1 438.350 6.084 40 30 IKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000032112056 556530881 /nfs/dbraw/zinc/53/08/81/556530881.db2.gz CAXQQADHKDZHHV-DHRITJCHSA-N 0 1 429.432 5.666 40 30 IKEBMN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1OC ZINC000032115164 556531554 /nfs/dbraw/zinc/53/15/54/556531554.db2.gz DLXSZALWMONLTO-SSDVNMTOSA-N 0 1 439.737 5.696 40 30 IKEBMN COCc1cc(C)nc(NN=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C#N ZINC000032124632 556533496 /nfs/dbraw/zinc/53/34/96/556533496.db2.gz HNIBBQGYTUMJTQ-MXAYSNPKSA-N 0 1 447.520 5.222 40 30 IKEBMN Oc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1Br ZINC000408980337 556652595 /nfs/dbraw/zinc/65/25/95/556652595.db2.gz VNOFQONPEMVGGU-ZMOGYAJESA-N 0 1 441.394 7.077 40 30 IKEBMN O=S(=O)(N/N=C\c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl ZINC000017379842 556676851 /nfs/dbraw/zinc/67/68/51/556676851.db2.gz DWTDAHZAAFLAKG-SWNXQHNESA-N 0 1 432.543 5.266 40 30 IKEBMN C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000000752010 556692884 /nfs/dbraw/zinc/69/28/84/556692884.db2.gz VMOSPCSOWBEFCJ-LGZXMISNSA-N 0 1 428.532 5.038 40 30 IKEBMN O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1ccc(F)cc1 ZINC000000805976 556696922 /nfs/dbraw/zinc/69/69/22/556696922.db2.gz RNCALSJFLYVAHX-BHGWPJFGSA-N 0 1 447.691 5.950 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(C)c1 ZINC000136774457 556722524 /nfs/dbraw/zinc/72/25/24/556722524.db2.gz XONUIYXPPCBQFA-XKSJYPCPSA-N 0 1 443.597 6.181 40 30 IKEBMN N=C1SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(O)=C1c1nccs1 ZINC000137151738 556723061 /nfs/dbraw/zinc/72/30/61/556723061.db2.gz SSVHSOCGXZOHPM-BBBSXOBRSA-N 0 1 437.502 5.048 40 30 IKEBMN Fc1ccc(COc2ccc3ccccc3c2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409067723 556771998 /nfs/dbraw/zinc/77/19/98/556771998.db2.gz QYCFPEADTVDIKT-AMVVHIIESA-N 0 1 439.412 6.418 40 30 IKEBMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000006239690 556830600 /nfs/dbraw/zinc/83/06/00/556830600.db2.gz RSPYGRYDGWNACG-QHCPKHFHSA-N 0 1 447.918 5.170 40 30 IKEBMN CCCOc1ccc(C=NNc2cc(C)nc(-c3ccc(Br)cc3)n2)c(O)c1 ZINC000006500669 556834069 /nfs/dbraw/zinc/83/40/69/556834069.db2.gz HZCRIIWZMQNDPD-YDZHTSKRSA-N 0 1 441.329 5.155 40 30 IKEBMN O=C(Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408910456 556887769 /nfs/dbraw/zinc/88/77/69/556887769.db2.gz KIXYJRDQZCQHDI-MXAYSNPKSA-N 0 1 447.882 5.288 40 30 IKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408945938 556897389 /nfs/dbraw/zinc/89/73/89/556897389.db2.gz XSLBOQDZPZXFRQ-CMSXCWRSSA-N 0 1 445.360 6.732 40 30 IKEBMN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000408992308 556911878 /nfs/dbraw/zinc/91/18/78/556911878.db2.gz RPBBVAQRUNOVPQ-AFPJDJCSSA-N 0 1 438.702 5.804 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000409101417 556955741 /nfs/dbraw/zinc/95/57/41/556955741.db2.gz TWXYYGYCMXKPGE-YSURURNPSA-N 0 1 445.825 5.899 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N ZINC000409102580 556956240 /nfs/dbraw/zinc/95/62/40/556956240.db2.gz BDSVTHQYGGIINA-VFLNYLIXSA-N 0 1 440.425 5.396 40 30 IKEBMN O=[N+]([O-])c1cc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c(Cl)cc1Cl ZINC000409108866 556959804 /nfs/dbraw/zinc/95/98/04/556959804.db2.gz YMXNXVIMZPYDMB-KTZMUZOWSA-N 0 1 445.184 6.021 40 30 IKEBMN CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1O ZINC000409174930 556990043 /nfs/dbraw/zinc/99/00/43/556990043.db2.gz VVRTUWZDWYPFJW-MUFRIFMGSA-N 0 1 442.902 6.994 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000408692028 557102894 /nfs/dbraw/zinc/10/28/94/557102894.db2.gz BSKIBSWTZXUFKR-CVKSISIWSA-N 0 1 434.927 5.743 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C ZINC000408692083 557103066 /nfs/dbraw/zinc/10/30/66/557103066.db2.gz DAAFISRESAGPGW-ZVHZXABRSA-N 0 1 436.357 5.672 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408692698 557103703 /nfs/dbraw/zinc/10/37/03/557103703.db2.gz SIXCUNOYNNQRHT-JFLMPSFJSA-N 0 1 427.939 6.159 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408692658 557103782 /nfs/dbraw/zinc/10/37/82/557103782.db2.gz RTHCZMCVOGYZPN-OEAKJJBVSA-N 0 1 446.423 5.111 40 30 IKEBMN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702515 557124164 /nfs/dbraw/zinc/12/41/64/557124164.db2.gz GTQCREIGRBTDDK-NRFANRHFSA-N 0 1 427.928 5.042 40 30 IKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000102273113 557300927 /nfs/dbraw/zinc/30/09/27/557300927.db2.gz VMZNBUPNEJEWDT-KALUYTGESA-N 0 1 440.393 5.242 40 30 IKEBMN CCCCOC(=O)C(=O)[C@H](C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977263 557311300 /nfs/dbraw/zinc/31/13/00/557311300.db2.gz ICLAEGNEUPSKPX-BJKOFHAPSA-N 0 1 448.559 5.036 40 30 IKEBMN O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693179 557317943 /nfs/dbraw/zinc/31/79/43/557317943.db2.gz DKTMGOWAHFWZTD-AMXDTQDGSA-N 0 1 428.702 5.998 40 30 IKEBMN CCCCCCCCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21 ZINC000104249254 557323398 /nfs/dbraw/zinc/32/33/98/557323398.db2.gz LZYYDZKWKYBVJG-UHFFFAOYSA-N 0 1 441.706 8.410 40 30 IKEBMN O=C(CC/C(C/C(=N/O)c1ccc(F)cc1)=N\O)N(Cc1ccccc1)Cc1ccccc1 ZINC000104283321 557324039 /nfs/dbraw/zinc/32/40/39/557324039.db2.gz NWEHDIQJVKGIOJ-CIMIHRMLSA-N 0 1 447.510 5.234 40 30 IKEBMN CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c(O)c1 ZINC000104391349 557326340 /nfs/dbraw/zinc/32/63/40/557326340.db2.gz SFKBCHSNVQZYJD-GNVQSUKOSA-N 0 1 438.616 5.927 40 30 IKEBMN COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163676 557424657 /nfs/dbraw/zinc/42/46/57/557424657.db2.gz PMCSJVLUTVSTSD-MQNRADLISA-N 0 1 429.520 5.144 40 30 IKEBMN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000016637014 557474966 /nfs/dbraw/zinc/47/49/66/557474966.db2.gz AQPNTTKSTOAMDL-ZVBGSRNCSA-N 0 1 430.129 5.951 40 30 IKEBMN N#Cc1ccccc1Cn1cc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc21 ZINC000033490609 557808975 /nfs/dbraw/zinc/80/89/75/557808975.db2.gz RCDCKKNRFMINJJ-UZSQBTMGSA-N 0 1 440.553 5.436 40 30 IKEBMN Clc1cccc(Cl)c1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000059194439 557818275 /nfs/dbraw/zinc/81/82/75/557818275.db2.gz VFQBJKDHFRHXLU-WYMPLXKRSA-N 0 1 428.344 6.628 40 30 IKEBMN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1O ZINC000059387303 557822349 /nfs/dbraw/zinc/82/23/49/557822349.db2.gz TXHQEGPGDODSBX-UHFFFAOYSA-N 0 1 434.363 5.672 40 30 IKEBMN O=[N+]([O-])c1ccc(Oc2ccccc2C=NNc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000059514323 557826934 /nfs/dbraw/zinc/82/69/34/557826934.db2.gz QQMMJHDLHZUUFH-CIAFOILYSA-N 0 1 435.421 5.351 40 30 IKEBMN Brc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000014407593 568622320 /nfs/dbraw/zinc/62/23/20/568622320.db2.gz BSBOXZDQMDRFCE-YDZHTSKRSA-N 0 1 438.350 6.084 40 30 IKEBMN Brc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000014407593 568622323 /nfs/dbraw/zinc/62/23/23/568622323.db2.gz BSBOXZDQMDRFCE-YDZHTSKRSA-N 0 1 438.350 6.084 40 30 IKEBMN N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 ZINC000585292890 568632918 /nfs/dbraw/zinc/63/29/18/568632918.db2.gz AZHGXZOSMNVQEK-RUZDIDTESA-N 0 1 439.563 5.750 40 30 IKEBMN N=C1SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(O)=C1c1nccs1 ZINC000033629241 569261726 /nfs/dbraw/zinc/26/17/26/569261726.db2.gz LCPNNUXGRMQEKF-KIMFWDJISA-N 0 1 426.950 5.793 40 30 IKEBMN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 ZINC000038180037 569262112 /nfs/dbraw/zinc/26/21/12/569262112.db2.gz BPQSEHOYMGGIIB-IXORVSQSSA-N 0 1 429.476 6.681 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(C)C)c4ccccc34)SC2=N)s1 ZINC000107658269 569262302 /nfs/dbraw/zinc/26/23/02/569262302.db2.gz IMDSMROLARKMDM-PYXFXZIOSA-N 0 1 437.590 5.706 40 30 IKEBMN N#Cc1ccccc1Cn1cc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc21 ZINC000137922426 569262586 /nfs/dbraw/zinc/26/25/86/569262586.db2.gz RCDCKKNRFMINJJ-PWHRVSNJSA-N 0 1 440.553 5.436 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)SC2=N)s1 ZINC000137613018 569262591 /nfs/dbraw/zinc/26/25/91/569262591.db2.gz WTAFIAOERBNUDQ-YMJAZQHQSA-N 0 1 442.997 5.579 40 30 IKEBMN N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1 ZINC000585294702 569583073 /nfs/dbraw/zinc/58/30/73/569583073.db2.gz UGBDLTHGKSERSU-QFIPXVFZSA-N 0 1 445.592 5.812 40 30 IKEBMN Brc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013590718 518209408 /nfs/dbraw/zinc/20/94/08/518209408.db2.gz CGYDWJBWWXJJQS-LGUFXXKBSA-N 0 1 434.381 5.190 40 30 IKEBMN COc1c2c(cc3c1[C@@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 ZINC000061992897 521884030 /nfs/dbraw/zinc/88/40/30/521884030.db2.gz SVSPODGIYWQUSW-HVWNZGRTSA-N 0 1 426.557 5.112 40 30 IKEBMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 ZINC000032679277 522134381 /nfs/dbraw/zinc/13/43/81/522134381.db2.gz CKFUKTAKBTZJTA-QQXSKIMKSA-N 0 1 441.560 5.574 40 30 IKEBMN O=C(CC/C(C/C(=N\O)c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1 ZINC000104283317 526325175 /nfs/dbraw/zinc/32/51/75/526325175.db2.gz NWEHDIQJVKGIOJ-JEUVFDQPSA-N 0 1 447.510 5.234 40 30 IKEBMN COc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1OC ZINC000000822263 555564146 /nfs/dbraw/zinc/56/41/46/555564146.db2.gz BUEYLKHZRGSIHI-BRJLIKDPSA-N 0 1 426.303 6.305 40 30 IKEBMN CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)C2=O)cc(Br)c1O ZINC000408563170 555907174 /nfs/dbraw/zinc/90/71/74/555907174.db2.gz JHHUJOCQRCDDTC-SFXQBQATSA-N 0 1 435.236 5.454 40 30 IKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000035242591 556037461 /nfs/dbraw/zinc/03/74/61/556037461.db2.gz VEMWTKDRONDLNC-JDTRZHCYSA-N 0 1 435.618 6.266 40 30 IKEBMN CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408703012 556107433 /nfs/dbraw/zinc/10/74/33/556107433.db2.gz ZXRZMHZERJDAKH-QFIPXVFZSA-N 0 1 441.955 5.296 40 30 IKEBMN COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)cc1 ZINC000030823035 556507141 /nfs/dbraw/zinc/50/71/41/556507141.db2.gz PDUJMKBDRQIUOU-XMMPIXPASA-N 0 1 430.529 5.577 40 30 IKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F ZINC000016268489 556596028 /nfs/dbraw/zinc/59/60/28/556596028.db2.gz OTZXKQCVSZMKLX-JJFYIABZSA-N 0 1 431.265 5.350 40 30 IKEBMN CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Cl ZINC000016637207 556618842 /nfs/dbraw/zinc/61/88/42/556618842.db2.gz MYWSGKIWEUGBMN-ZVBGSRNCSA-N 0 1 430.129 5.951 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1C#N ZINC000135824225 556720721 /nfs/dbraw/zinc/72/07/21/556720721.db2.gz DRBZEPUQUANTNL-CRDFWNHQSA-N 0 1 447.541 5.020 40 30 IKEBMN N=C1SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(O)=C1c1nccs1 ZINC000135941479 556721242 /nfs/dbraw/zinc/72/12/42/556721242.db2.gz FJXLOMPOIPDVBT-JQHCICQGSA-N 0 1 442.565 6.293 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=N)s1 ZINC000136249939 556722246 /nfs/dbraw/zinc/72/22/46/556722246.db2.gz BQFQPHFRRGAEBR-XCBKRSKDSA-N 0 1 443.638 5.819 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)SC2=N)s1 ZINC000137045227 556723022 /nfs/dbraw/zinc/72/30/22/556723022.db2.gz JYDOMNITMMCAAR-IXPXTECGSA-N 0 1 436.606 5.543 40 30 IKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C ZINC000409067067 556770297 /nfs/dbraw/zinc/77/02/97/556770297.db2.gz OYWNNKJIVKCQRR-LIMNOBDPSA-N 0 1 432.240 5.105 40 30 IKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl ZINC000409070336 556774532 /nfs/dbraw/zinc/77/45/32/556774532.db2.gz FMGWGUQYCJIWDX-LUOAPIJWSA-N 0 1 435.833 5.787 40 30 IKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000008935003 556852650 /nfs/dbraw/zinc/85/26/50/556852650.db2.gz MEULEEHJVMPQMI-YSURURNPSA-N 0 1 445.675 6.506 40 30 IKEBMN CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408856251 556872277 /nfs/dbraw/zinc/87/22/77/556872277.db2.gz JNESUBBQWOPIIB-MXAYSNPKSA-N 0 1 444.304 5.407 40 30 IKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000408911604 556888244 /nfs/dbraw/zinc/88/82/44/556888244.db2.gz ODTDZIRUJIPQOZ-ROTLSHHCSA-N 0 1 439.302 6.351 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F ZINC000409076012 556943770 /nfs/dbraw/zinc/94/37/70/556943770.db2.gz WMIHPPNDBHHARS-KVSWJAHQSA-N 0 1 433.405 5.663 40 30 IKEBMN O=C(COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl)Nc1ccccc1 ZINC000409070279 556944570 /nfs/dbraw/zinc/94/45/70/556944570.db2.gz FHHICGGIPAWTMM-LUOAPIJWSA-N 0 1 448.832 5.217 40 30 IKEBMN N#Cc1ccccc1COc1ccc2ccccc2c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000409107249 556959133 /nfs/dbraw/zinc/95/91/33/556959133.db2.gz RKOMWKPXDQYOOO-IBBHUPRXSA-N 0 1 446.432 6.150 40 30 IKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)nc1 ZINC000409114069 556962467 /nfs/dbraw/zinc/96/24/67/556962467.db2.gz IMLDSPOTGGRWOM-YPXUMCKCSA-N 0 1 440.252 6.432 40 30 IKEBMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409213159 557007591 /nfs/dbraw/zinc/00/75/91/557007591.db2.gz OVGYMDYHNVEGKC-WSDLNYQXSA-N 0 1 447.126 6.460 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)c1C ZINC000408692046 557102818 /nfs/dbraw/zinc/10/28/18/557102818.db2.gz CDYOZGAYLLTYSD-JVWAILMASA-N 0 1 443.551 5.475 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2Br)c1C ZINC000408692319 557103051 /nfs/dbraw/zinc/10/30/51/557103051.db2.gz JRDLLWIBBPMMHF-ZVHZXABRSA-N 0 1 436.357 5.672 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408692289 557103199 /nfs/dbraw/zinc/10/31/99/557103199.db2.gz JDDONWSRGGDXET-MFKUBSTISA-N 0 1 449.352 5.844 40 30 IKEBMN CCOC(=O)c1cc(-c2ccc(C=N[N-]c3[nH+]c4ccccc4n3CC)o2)ccc1Cl ZINC000408692750 557103712 /nfs/dbraw/zinc/10/37/12/557103712.db2.gz UINDHJUOTHSEAV-AFUMVMLFSA-N 0 1 436.899 5.592 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(C(=O)OC(C)C)c2)c1C ZINC000408692524 557103814 /nfs/dbraw/zinc/10/38/14/557103814.db2.gz OKAGDHPOGBZHRE-JVWAILMASA-N 0 1 443.551 5.475 40 30 IKEBMN CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000100249851 557111962 /nfs/dbraw/zinc/11/19/62/557111962.db2.gz KRWOECHNXKCWSI-UHFFFAOYSA-N 0 1 432.590 5.137 40 30 IKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1O ZINC000100507158 557115758 /nfs/dbraw/zinc/11/57/58/557115758.db2.gz HGEKBKOYBBFYHE-BRJLIKDPSA-N 0 1 431.448 5.793 40 30 IKEBMN Brc1cc(CN=Nc2ccc3ccccc3n2)ccc1OCc1ccccc1 ZINC000408737942 557145792 /nfs/dbraw/zinc/14/57/92/557145792.db2.gz KXZPUZJDDKYEFC-MFKUBSTISA-N 0 1 432.321 6.022 40 30 IKEBMN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 ZINC000038180007 557203172 /nfs/dbraw/zinc/20/31/72/557203172.db2.gz MHYBWYHRROVXPX-ZKJHFGPLSA-N 0 1 439.342 7.771 40 30 IKEBMN O=C(C1CCCCC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100115648 557240984 /nfs/dbraw/zinc/24/09/84/557240984.db2.gz ZSCSEYRTJFTOQR-YFKPBYRVSA-N 0 1 444.187 5.054 40 30 IKEBMN CCCCCCCCCCCCCCCCCc1cc2nc3ccc(Cl)cc3n2[nH]1 ZINC000100988561 557280759 /nfs/dbraw/zinc/28/07/59/557280759.db2.gz MEABPWRIKSZWCX-UHFFFAOYSA-N 0 1 430.080 8.883 40 30 IKEBMN O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000101573475 557294199 /nfs/dbraw/zinc/29/41/99/557294199.db2.gz RTQUVIKQMWQVQF-HZYJKNPPSA-N 0 1 435.936 5.505 40 30 IKEBMN CCCCOC(=O)C(=O)[C@@H](C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977262 557311214 /nfs/dbraw/zinc/31/12/14/557311214.db2.gz ICLAEGNEUPSKPX-ZEQRLZLVSA-N 0 1 448.559 5.036 40 30 IKEBMN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000014152522 557423311 /nfs/dbraw/zinc/42/33/11/557423311.db2.gz NUHFMIGIZHYMER-UHFFFAOYSA-N 0 1 438.727 5.034 40 30 IKEBMN Clc1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4[nH]3)c3ccccc32)c(Cl)c1 ZINC000014407429 557443895 /nfs/dbraw/zinc/44/38/95/557443895.db2.gz OZHFOHBDTUTWHG-RPPGKUMJSA-N 0 1 434.330 6.319 40 30 IKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000014408415 557444009 /nfs/dbraw/zinc/44/40/09/557444009.db2.gz SGICJVNBUFWSRI-FSJBWODESA-N 0 1 439.382 6.221 40 30 IKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000014408415 557444013 /nfs/dbraw/zinc/44/40/13/557444013.db2.gz SGICJVNBUFWSRI-FSJBWODESA-N 0 1 439.382 6.221 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1Cl ZINC000059194417 557818192 /nfs/dbraw/zinc/81/81/92/557818192.db2.gz QSODRYIAYSHPQY-ZMOGYAJESA-N 0 1 437.908 5.624 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194465 557818218 /nfs/dbraw/zinc/81/82/18/557818218.db2.gz MEBBRXWTMYKWCG-MFKUBSTISA-N 0 1 431.517 5.669 40 30 IKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194465 557818219 /nfs/dbraw/zinc/81/82/19/557818219.db2.gz MEBBRXWTMYKWCG-MFKUBSTISA-N 0 1 431.517 5.669 40 30 IKEBMN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)c1 ZINC000059426824 557823647 /nfs/dbraw/zinc/82/36/47/557823647.db2.gz CRUKEQQRJFKTJH-VIZOYTHASA-N 0 1 437.746 5.317 40 30 IKEBMN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc(Cl)c1O ZINC000059566768 557824028 /nfs/dbraw/zinc/82/40/28/557824028.db2.gz DBBAOGXYIBKIBI-XGICHPGQSA-N 0 1 434.131 5.897 40 30 IKEBMN CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475138 557824695 /nfs/dbraw/zinc/82/46/95/557824695.db2.gz XIPVNGIAEZMVFR-WGOQTCKBSA-N 0 1 432.980 6.643 40 30 IKEBMN Clc1cc(Cl)c(N=NCc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000008989951 568793596 /nfs/dbraw/zinc/79/35/96/568793596.db2.gz FGACDBQRUPESHX-LSFURLLWSA-N 0 1 444.543 7.115 40 30 IKEBMN C=C(CCCC)[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000584578851 568866055 /nfs/dbraw/zinc/86/60/55/568866055.db2.gz ACDVQHBMHPGDII-QHCPKHFHSA-N 0 1 433.556 5.149 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1OC ZINC000010002143 569261644 /nfs/dbraw/zinc/26/16/44/569261644.db2.gz GNTPFCOUEHWZBW-MFKUBSTISA-N 0 1 447.516 5.369 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000034888167 569261977 /nfs/dbraw/zinc/26/19/77/569261977.db2.gz YJSFJYWCIIBBIS-ILEYUIQDSA-N 0 1 447.560 6.011 40 30 IKEBMN N=C1SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(O)=C1c1nccs1 ZINC000107885216 569262422 /nfs/dbraw/zinc/26/24/22/569262422.db2.gz HDAMQXPQWBSUKO-HTIFSWEISA-N 0 1 433.533 5.703 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccccc1 ZINC000108168919 569262484 /nfs/dbraw/zinc/26/24/84/569262484.db2.gz MEKVIHQEISFVFX-FTHAZTDQSA-N 0 1 429.570 5.872 40 30 IKEBMN N=C1SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(O)=C1c1nccs1 ZINC000108206611 569262503 /nfs/dbraw/zinc/26/25/03/569262503.db2.gz FJXLOMPOIPDVBT-PLXYEHFVSA-N 0 1 442.565 6.293 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)SC2=N)s1 ZINC000137562355 569262604 /nfs/dbraw/zinc/26/26/04/569262604.db2.gz FQQPVXOSDRGSML-IXPXTECGSA-N 0 1 436.606 5.543 40 30 IKEBMN Oc1cc(/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1nc2ccccc2s1 ZINC000003035854 569437947 /nfs/dbraw/zinc/43/79/47/569437947.db2.gz WNNQHRRSLJXDGJ-VULFUBBASA-N 0 1 430.916 7.333 40 30 IKEBMN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)oc2c1 ZINC000003050050 569438976 /nfs/dbraw/zinc/43/89/76/569438976.db2.gz QNISAFDGXDMWNB-BHGWPJFGSA-N 0 1 441.712 6.675 40 30 IKEBMN CC(C)N1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223541921 519699738 /nfs/dbraw/zinc/69/97/38/519699738.db2.gz ROMDTCNGUVCSEB-LUILSVGHSA-N 0 1 425.489 5.450 40 30 IKEBMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000012464320 523492909 /nfs/dbraw/zinc/49/29/09/523492909.db2.gz CGUCMZYRDIPULM-UUYOSTAYSA-N 0 1 445.386 5.558 40 30 IKEBMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013302162 526323538 /nfs/dbraw/zinc/32/35/38/526323538.db2.gz SXRCRAMXUYPBSX-VULFUBBASA-N 0 1 435.314 6.269 40 30 IKEBMN Oc1ccccc1-c1nc2ccccc2c(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000013548695 526368096 /nfs/dbraw/zinc/36/80/96/526368096.db2.gz NZJBGEBULXMVSU-OXUBWTJQSA-N 0 1 430.336 5.144 40 30 IKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(Br)cc2)cc1 ZINC000000753246 555553625 /nfs/dbraw/zinc/55/36/25/555553625.db2.gz XWCSFRGVLNKEAW-HMAPJEAMSA-N 0 1 429.339 5.309 40 30 IKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408650564 556026852 /nfs/dbraw/zinc/02/68/52/556026852.db2.gz FVTCHFPPKBPXAK-UVHMKAGCSA-N 0 1 448.357 6.329 40 30 IKEBMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264191 556270487 /nfs/dbraw/zinc/27/04/87/556270487.db2.gz IMPPQCOCGDBYKU-SANMLTNESA-N 0 1 439.515 5.908 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O ZINC000016688218 556626078 /nfs/dbraw/zinc/62/60/78/556626078.db2.gz XLIHKWBUALQKDQ-MSXFZWOLSA-N 0 1 437.839 5.911 40 30 IKEBMN COc1ccc(N=C(NC(=NC(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000018007875 556681147 /nfs/dbraw/zinc/68/11/47/556681147.db2.gz QNWKNRVCSHLFQA-UHFFFAOYSA-N 0 1 433.511 5.841 40 30 IKEBMN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1 ZINC000136030415 556721529 /nfs/dbraw/zinc/72/15/29/556721529.db2.gz DVFRERMNILFVNZ-DZDFLSMNSA-N 0 1 436.558 5.539 40 30 IKEBMN N=C1SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(O)=C1c1nccs1 ZINC000136255310 556722232 /nfs/dbraw/zinc/72/22/32/556722232.db2.gz LCPNNUXGRMQEKF-VGQPPMBJSA-N 0 1 426.950 5.793 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)SC2=N)s1 ZINC000136454975 556722670 /nfs/dbraw/zinc/72/26/70/556722670.db2.gz ITBAVBBDPGOBRV-TULHVXHQSA-N 0 1 444.585 5.521 40 30 IKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000136855936 556722959 /nfs/dbraw/zinc/72/29/59/556722959.db2.gz PJEDWEMBGXMQMM-PPYVRHORSA-N 0 1 427.982 5.930 40 30 IKEBMN C=CCOc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409073658 556776103 /nfs/dbraw/zinc/77/61/03/556776103.db2.gz HOEIYIOKOZNDIC-YSURURNPSA-N 0 1 444.251 5.272 40 30 IKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCC ZINC000409075492 556776708 /nfs/dbraw/zinc/77/67/08/556776708.db2.gz WHLORNTXAGBFIB-NUGSKGIGSA-N 0 1 432.240 5.106 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1 ZINC000409086839 556790935 /nfs/dbraw/zinc/79/09/35/556790935.db2.gz HGGSBGICKKUYJC-XODNFHPESA-N 0 1 429.442 5.833 40 30 IKEBMN CC[C@@H](C)Oc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409096545 556794812 /nfs/dbraw/zinc/79/48/12/556794812.db2.gz KLYACAHTXUJZEJ-BPDROILWSA-N 0 1 445.825 5.899 40 30 IKEBMN Cc1ccc(COc2ccc3ccccc3c2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409098576 556795527 /nfs/dbraw/zinc/79/55/27/556795527.db2.gz QSCACOFTNGSSSL-FJEPWZHXSA-N 0 1 435.449 6.587 40 30 IKEBMN CCCc1sc(N=NCc2ccc(N(C)C)cc2)nc1-c1ccc(Br)cc1 ZINC000006078139 556828430 /nfs/dbraw/zinc/82/84/30/556828430.db2.gz PKRGGYVRUTYMFD-OEAKJJBVSA-N 0 1 443.414 6.037 40 30 IKEBMN Brc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019808972 556918564 /nfs/dbraw/zinc/91/85/64/556918564.db2.gz OODAPYZVOYIJIK-ONUIUJJFSA-N 0 1 432.365 5.171 40 30 IKEBMN CCc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 ZINC000409101890 556956057 /nfs/dbraw/zinc/95/60/57/556956057.db2.gz ZKOCSCBTCBNQKN-GIJQJNRQSA-N 0 1 430.083 5.072 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCC ZINC000409071021 556945304 /nfs/dbraw/zinc/94/53/04/556945304.db2.gz PSXNBQPHVZPQIJ-AUEPDCJTSA-N 0 1 431.798 5.510 40 30 IKEBMN C=CCOc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409092421 556949241 /nfs/dbraw/zinc/94/92/41/556949241.db2.gz XXYPZLKZJZEDHN-YSURURNPSA-N 0 1 444.251 5.272 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1 ZINC000409099127 556954361 /nfs/dbraw/zinc/95/43/61/556954361.db2.gz QNMWNSXQMXAREC-KVSWJAHQSA-N 0 1 433.405 5.663 40 30 IKEBMN Cc1ccc(C)c(/N=C\c2cc(Br)cc(I)c2O)c1 ZINC000409105334 556958606 /nfs/dbraw/zinc/95/86/06/556958606.db2.gz MUNODCCYNVPFSC-LSCVHKIXSA-N 0 1 430.083 5.127 40 30 IKEBMN C(=NNc1nc2ccccc2s1)c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409211023 557023272 /nfs/dbraw/zinc/02/32/72/557023272.db2.gz KFRQOEHOPJJBET-NTFVMDSBSA-N 0 1 432.552 6.899 40 30 IKEBMN C(=[NH+][N-]c1nc2ccccc2s1)c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409211023 557023276 /nfs/dbraw/zinc/02/32/76/557023276.db2.gz KFRQOEHOPJJBET-NTFVMDSBSA-N 0 1 432.552 6.899 40 30 IKEBMN COc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1cccc2ccccc21 ZINC000408651638 557083530 /nfs/dbraw/zinc/08/35/30/557083530.db2.gz GZOCKECHEBCNDD-OGLMXYFKSA-N 0 1 436.515 5.760 40 30 IKEBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 ZINC000208460237 557088993 /nfs/dbraw/zinc/08/89/93/557088993.db2.gz HBSNGWQDCRMBTK-SSDVNMTOSA-N 0 1 429.864 5.234 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408692373 557103365 /nfs/dbraw/zinc/10/33/65/557103365.db2.gz LCLDAALBRJZQJS-MFKUBSTISA-N 0 1 449.352 5.844 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000408692972 557104147 /nfs/dbraw/zinc/10/41/47/557104147.db2.gz ZTJFWMIFZRYTFW-LQKURTRISA-N 0 1 425.511 5.953 40 30 IKEBMN CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408703011 557120996 /nfs/dbraw/zinc/12/09/96/557120996.db2.gz ZXRZMHZERJDAKH-JOCHJYFZSA-N 0 1 441.955 5.296 40 30 IKEBMN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)cc1 ZINC000408763691 557181112 /nfs/dbraw/zinc/18/11/12/557181112.db2.gz UHSCKOWVCXQIJZ-OVCLIPMQSA-N 0 1 437.746 5.262 40 30 IKEBMN CCCCCCCCCCCC(N=Nc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1O ZINC000100934004 557279179 /nfs/dbraw/zinc/27/91/79/557279179.db2.gz YLUKOOAOKITTJJ-PNHLSOANSA-N 0 1 425.573 7.346 40 30 IKEBMN Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1 ZINC000102896294 557309578 /nfs/dbraw/zinc/30/95/78/557309578.db2.gz ORXNONNFHLAHLN-YBOYZMIGSA-N 0 1 439.471 5.583 40 30 IKEBMN CCCCOC(=O)C(=O)[C@@H](C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977265 557311230 /nfs/dbraw/zinc/31/12/30/557311230.db2.gz ICLAEGNEUPSKPX-RPWUZVMVSA-N 0 1 448.559 5.036 40 30 IKEBMN O=C(CC/C(C/C(=N/O)c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1 ZINC000102985395 557311571 /nfs/dbraw/zinc/31/15/71/557311571.db2.gz NWEHDIQJVKGIOJ-OYUJONNZSA-N 0 1 447.510 5.234 40 30 IKEBMN COc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163672 557424713 /nfs/dbraw/zinc/42/47/13/557424713.db2.gz PMCSJVLUTVSTSD-ODCWNRFASA-N 0 1 429.520 5.144 40 30 IKEBMN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)cc3)nc2c1 ZINC000017096463 557476632 /nfs/dbraw/zinc/47/66/32/557476632.db2.gz HGFJBZOXMMGFNC-NXYZXBHKSA-N 0 1 429.476 6.681 40 30 IKEBMN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C(C)C ZINC000223587887 557489317 /nfs/dbraw/zinc/48/93/17/557489317.db2.gz QMYSJUKUUDYKQP-ANDSAHIGSA-N 0 1 439.516 5.758 40 30 IKEBMN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587823 557489404 /nfs/dbraw/zinc/48/94/04/557489404.db2.gz QMYSJUKUUDYKQP-CBFMJHRQSA-N 0 1 439.516 5.758 40 30 IKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccc(Cl)cc1Cl ZINC000017101968 557490734 /nfs/dbraw/zinc/49/07/34/557490734.db2.gz AMIUUJYTQBRGGW-ZAMGYDSWSA-N 0 1 438.358 6.433 40 30 IKEBMN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)cc3)nc2c1 ZINC000019643257 557504202 /nfs/dbraw/zinc/50/42/02/557504202.db2.gz DEXZBHXZJUAWPP-NXYZXBHKSA-N 0 1 445.475 6.381 40 30 IKEBMN O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000020060652 557515046 /nfs/dbraw/zinc/51/50/46/557515046.db2.gz SGAJHBRWDRSGRB-MTDXEUNCSA-N 0 1 437.524 5.939 40 30 IKEBMN CCN(CC)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000027529294 557557747 /nfs/dbraw/zinc/55/77/47/557557747.db2.gz KSRLKOSWUQHTNA-ZXVVBBHZSA-N 0 1 426.589 6.769 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000059034415 557813608 /nfs/dbraw/zinc/81/36/08/557813608.db2.gz ARLMYCKPDMCXJD-JVWAILMASA-N 0 1 439.540 6.483 40 30 IKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000059034415 557813610 /nfs/dbraw/zinc/81/36/10/557813610.db2.gz ARLMYCKPDMCXJD-JVWAILMASA-N 0 1 439.540 6.483 40 30 IKEBMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059484264 557825285 /nfs/dbraw/zinc/82/52/85/557825285.db2.gz KQYMIWGHKXTVLL-PCLIKHOPSA-N 0 1 443.532 5.897 40 30 IKEBMN O=[N+]([O-])c1ccc(Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)c([N+](=O)[O-])c1 ZINC000059514296 557826879 /nfs/dbraw/zinc/82/68/79/557826879.db2.gz OCUJMQUIRNMCCW-CIAFOILYSA-N 0 1 435.421 5.351 40 30 IKEBMN Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2cc(F)ccc21 ZINC000585294734 568632508 /nfs/dbraw/zinc/63/25/08/568632508.db2.gz IOLVYNHEVUDIKJ-XMMPIXPASA-N 0 1 426.499 5.060 40 30 IKEBMN Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(CC(C)C)s2)n1 ZINC000585293561 568632931 /nfs/dbraw/zinc/63/29/31/568632931.db2.gz ITSBQRVNKHGDOV-XMMPIXPASA-N 0 1 446.624 5.783 40 30 IKEBMN COc1ccc(/N=C2\c3cc(F)cc4c3N(C2=O)C(C)(C)C=C4CN2CCC(C)CC2)cc1 ZINC000575473282 568873160 /nfs/dbraw/zinc/87/31/60/568873160.db2.gz QVTAVNVXMAAQSB-RMLRFSFXSA-N 0 1 447.554 5.209 40 30 IKEBMN Cc1ccc(NC(=O)COc2cccc(C=NNc3ccc(C(F)(F)F)cn3)c2)cc1C ZINC000033709451 569261876 /nfs/dbraw/zinc/26/18/76/569261876.db2.gz WVPRBWAXUIWJPR-NVJOKUIPSA-N 0 1 442.441 5.181 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=N)s1 ZINC000034690050 569262032 /nfs/dbraw/zinc/26/20/32/569262032.db2.gz QZLRWJMYVFDXQI-JGOBEUKDSA-N 0 1 442.997 5.579 40 30 IKEBMN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 ZINC000038180036 569262107 /nfs/dbraw/zinc/26/21/07/569262107.db2.gz BPQSEHOYMGGIIB-NXYZXBHKSA-N 0 1 429.476 6.681 40 30 IKEBMN Oc1cc(Br)c(/N=C/c2cc(Br)ccc2O)c(Br)c1 ZINC000038179879 569262183 /nfs/dbraw/zinc/26/21/83/569262183.db2.gz HESJXPKXYVTDGH-UBKPWBPPSA-N 0 1 449.924 5.136 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(F)c1 ZINC000107701918 569262280 /nfs/dbraw/zinc/26/22/80/569262280.db2.gz LSDHAKXKUKKTDU-ILEYUIQDSA-N 0 1 447.560 6.011 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1C#N ZINC000110219944 569262499 /nfs/dbraw/zinc/26/24/99/569262499.db2.gz DRBZEPUQUANTNL-HTIFSWEISA-N 0 1 447.541 5.020 40 30 IKEBMN Cc1cc(C)c(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3O)cc2)c(C)c1 ZINC000138024806 569262655 /nfs/dbraw/zinc/26/26/55/569262655.db2.gz WNIVOEVYZGIUOH-XOBHVICXSA-N 0 1 434.586 6.065 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(F)c1 ZINC000138396044 569262686 /nfs/dbraw/zinc/26/26/86/569262686.db2.gz LSDHAKXKUKKTDU-ZDYYVWHCSA-N 0 1 447.560 6.011 40 30 IKEBMN CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)c2ccccc12 ZINC000138168799 569262700 /nfs/dbraw/zinc/26/27/00/569262700.db2.gz GVTYRXPFNWUZFB-PTORLYRRSA-N 0 1 437.590 5.850 40 30 IKEBMN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1 ZINC000003050044 569438918 /nfs/dbraw/zinc/43/89/18/569438918.db2.gz YDAPZQJKXIVOJF-BHGWPJFGSA-N 0 1 441.712 6.675 40 30 IKEBMN Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)oc2c1 ZINC000003050039 569438946 /nfs/dbraw/zinc/43/89/46/569438946.db2.gz UGEGBPMPBARUDQ-BHGWPJFGSA-N 0 1 441.712 6.675 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O ZINC000003068529 569439772 /nfs/dbraw/zinc/43/97/72/569439772.db2.gz RTWXNTYBSSWHLF-WYMPLXKRSA-N 0 1 437.839 5.911 40 30 IKEBMN Oc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2s1 ZINC000003084361 569439935 /nfs/dbraw/zinc/43/99/35/569439935.db2.gz VLORKKPPTZPXJW-OGLMXYFKSA-N 0 1 436.536 6.999 40 30 IKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000012468092 519009396 /nfs/dbraw/zinc/00/93/96/519009396.db2.gz WJDXEUVLCKVSDU-PKAZHMFMSA-N 0 1 442.588 6.366 40 30 IKEBMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3cccs3)[C@H]2c2ccccc2)C1 ZINC000012652072 520261779 /nfs/dbraw/zinc/26/17/79/520261779.db2.gz DNZMYUGACKGLFJ-DEOSSOPVSA-N 0 1 428.557 6.205 40 30 IKEBMN CCN(CC)c1ccc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057527918 520882603 /nfs/dbraw/zinc/88/26/03/520882603.db2.gz VHORGBOCHKIKPA-QUPMIFSKSA-N 0 1 426.608 5.606 40 30 IKEBMN Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000003145412 555891750 /nfs/dbraw/zinc/89/17/50/555891750.db2.gz LYPHGUZTPGCWFX-UHFFFAOYSA-N 0 1 428.620 7.794 40 30 IKEBMN CCOc1ccc(/N=C(/CNc2ccc(OCC)cc2)Nc2ccc(OCC)cc2)cc1 ZINC000004235300 555977852 /nfs/dbraw/zinc/97/78/52/555977852.db2.gz UKRIPEKAGQYKIX-UHFFFAOYSA-N 0 1 433.552 6.137 40 30 IKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408662255 556043227 /nfs/dbraw/zinc/04/32/27/556043227.db2.gz RDLPRWNYVDMSKH-UVHMKAGCSA-N 0 1 448.357 6.329 40 30 IKEBMN Clc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c(Cl)c1 ZINC000008935104 556235399 /nfs/dbraw/zinc/23/53/99/556235399.db2.gz BPHVSZDEIYXGOZ-KIBLKLHPSA-N 0 1 435.141 7.594 40 30 IKEBMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264190 556270386 /nfs/dbraw/zinc/27/03/86/556270386.db2.gz IMPPQCOCGDBYKU-AREMUKBSSA-N 0 1 439.515 5.908 40 30 IKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000039921290 556438138 /nfs/dbraw/zinc/43/81/38/556438138.db2.gz GSQAAKAOMJBFDI-DEOSSOPVSA-N 0 1 446.528 6.757 40 30 IKEBMN CC(=N/N(Cc1ccccc1)c1ccccc1)/C(C)=N\N(Cc1ccccc1)c1ccccc1 ZINC000031671940 556525518 /nfs/dbraw/zinc/52/55/18/556525518.db2.gz SOLCRAFWRRSRRT-WVMMTVHUSA-N 0 1 446.598 7.152 40 30 IKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1c(F)cccc1Br ZINC000032109733 556530429 /nfs/dbraw/zinc/53/04/29/556530429.db2.gz UQURUUMTWQMPPF-SSDVNMTOSA-N 0 1 431.265 5.350 40 30 IKEBMN CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1OC ZINC000032115348 556531578 /nfs/dbraw/zinc/53/15/78/556531578.db2.gz VESKJCRMSJDCDT-SSDVNMTOSA-N 0 1 439.737 5.696 40 30 IKEBMN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000016195077 556589877 /nfs/dbraw/zinc/58/98/77/556589877.db2.gz CECVDZCKHKDGTD-ZSICUCBDSA-N 0 1 447.472 5.118 40 30 IKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000016923191 556649318 /nfs/dbraw/zinc/64/93/18/556649318.db2.gz VMZNBUPNEJEWDT-NSKAYECMSA-N 0 1 440.393 5.242 40 30 IKEBMN Cc1ccc2c(c1)N[C@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 ZINC000017126009 556668858 /nfs/dbraw/zinc/66/88/58/556668858.db2.gz ZXGVFQHHLQGPAQ-PBSMGWKUSA-N 0 1 448.353 7.064 40 30 IKEBMN Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 ZINC000017126005 556668905 /nfs/dbraw/zinc/66/89/05/556668905.db2.gz ZXGVFQHHLQGPAQ-NBUDSHOTSA-N 0 1 448.353 7.064 40 30 IKEBMN C=CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(Br)c1 ZINC000226344708 556684892 /nfs/dbraw/zinc/68/48/92/556684892.db2.gz SNWSCWNJGFDEAI-UHFFFAOYSA-N 0 1 426.097 5.642 40 30 IKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000170414907 556692579 /nfs/dbraw/zinc/69/25/79/556692579.db2.gz FHJJNUQUONLMAD-HSZRJFAPSA-N 0 1 435.564 5.378 40 30 IKEBMN Cc1cccc(Cn2cc(C=C3SC(=N)C(c4nccs4)=C3O)c3ccccc32)c1 ZINC000136040967 556721616 /nfs/dbraw/zinc/72/16/16/556721616.db2.gz UKVDJUXDOGAWBA-XOBHVICXSA-N 0 1 429.570 5.872 40 30 IKEBMN N=C1SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(O)=C1c1nccs1 ZINC000136407938 556722483 /nfs/dbraw/zinc/72/24/83/556722483.db2.gz HDAMQXPQWBSUKO-CRDFWNHQSA-N 0 1 433.533 5.703 40 30 IKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1 ZINC000409091403 556792561 /nfs/dbraw/zinc/79/25/61/556792561.db2.gz TZQKPAFMRMPPNK-LUOAPIJWSA-N 0 1 435.833 5.787 40 30 IKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccccc1 ZINC000409092460 556792839 /nfs/dbraw/zinc/79/28/39/556792839.db2.gz YQAPZTRKYGVOQM-IPPBACCNSA-N 0 1 441.453 5.863 40 30 IKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000409107234 556798198 /nfs/dbraw/zinc/79/81/98/556798198.db2.gz RGCJCCDVLFMOCI-YPXUMCKCSA-N 0 1 440.252 6.432 40 30 IKEBMN C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000002464543 556801739 /nfs/dbraw/zinc/80/17/39/556801739.db2.gz VMOSPCSOWBEFCJ-YCULYRLHSA-N 0 1 428.532 5.038 40 30 IKEBMN O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 ZINC000408852794 556870202 /nfs/dbraw/zinc/87/02/02/556870202.db2.gz IICMPNWGCQTDEI-ROTLSHHCSA-N 0 1 445.371 6.642 40 30 IKEBMN COCCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N\c1ccccc1 ZINC000408937370 556896941 /nfs/dbraw/zinc/89/69/41/556896941.db2.gz QLQLDSSSHJXCAH-NKHYKUCGSA-N 0 1 437.348 5.340 40 30 IKEBMN CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CC(C)(C)CC2=O ZINC000409034182 556927565 /nfs/dbraw/zinc/92/75/65/556927565.db2.gz MRJLLMDHHONXAB-UHFFFAOYSA-N 0 1 448.390 6.014 40 30 IKEBMN COc1cccc(C=NNc2nc3ccccc3s2)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409081412 556947420 /nfs/dbraw/zinc/94/74/20/556947420.db2.gz OBVXUIWCVWOSJN-QRVIBDJDSA-N 0 1 434.477 5.238 40 30 IKEBMN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)c1O ZINC000409090262 556951643 /nfs/dbraw/zinc/95/16/43/556951643.db2.gz LUXDHQRXXABAAS-DDFZXGMKSA-N 0 1 447.398 5.998 40 30 IKEBMN CC[C@H](C)Oc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409097673 556953577 /nfs/dbraw/zinc/95/35/77/556953577.db2.gz NTTNQMHDNOGXFK-OLLYESQCSA-N 0 1 446.267 5.495 40 30 IKEBMN CCOc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409098377 556954137 /nfs/dbraw/zinc/95/41/37/556954137.db2.gz LDZUDKJZXWOKGE-NUGSKGIGSA-N 0 1 432.240 5.106 40 30 IKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N ZINC000409099850 556954923 /nfs/dbraw/zinc/95/49/23/556954923.db2.gz LYYWBRPBODMYNY-KVSWJAHQSA-N 0 1 426.398 5.006 40 30 IKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409106718 556959093 /nfs/dbraw/zinc/95/90/93/556959093.db2.gz TVTYFUXWHFDAHQ-KBKYJPHKSA-N 0 1 446.385 5.042 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409175206 556985520 /nfs/dbraw/zinc/98/55/20/556985520.db2.gz XOQMAABEWBBGCY-BRJLIKDPSA-N 0 1 441.318 5.903 40 30 IKEBMN O=[N+]([O-])c1cc(C=Nc2cccc(Cl)c2)ccc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000409193383 557010105 /nfs/dbraw/zinc/01/01/05/557010105.db2.gz JQVXHJWBAHENIV-YDZHTSKRSA-N 0 1 435.896 5.935 40 30 IKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408666434 557093544 /nfs/dbraw/zinc/09/35/44/557093544.db2.gz USYZEPGTXGWYQX-ZVHZXABRSA-N 0 1 435.325 5.361 40 30 IKEBMN Cn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Br)cc1 ZINC000408666434 557093546 /nfs/dbraw/zinc/09/35/46/557093546.db2.gz USYZEPGTXGWYQX-ZVHZXABRSA-N 0 1 435.325 5.361 40 30 IKEBMN Cn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408662394 557095531 /nfs/dbraw/zinc/09/55/31/557095531.db2.gz RLMLVMWVGVEBNB-DHRITJCHSA-N 0 1 425.319 5.905 40 30 IKEBMN CCOC(=O)Cc1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)cc1 ZINC000408692006 557102793 /nfs/dbraw/zinc/10/27/93/557102793.db2.gz BDVIEBZCFIZDBN-WPWMEQJKSA-N 0 1 443.551 5.015 40 30 IKEBMN CCOC(=O)Cc1ccc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4n3CC)c2C)cc1 ZINC000408692006 557102798 /nfs/dbraw/zinc/10/27/98/557102798.db2.gz BDVIEBZCFIZDBN-WPWMEQJKSA-N 0 1 443.551 5.015 40 30 IKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1 ZINC000408692186 557103098 /nfs/dbraw/zinc/10/30/98/557103098.db2.gz GRVVEMHOSHGCIL-JVWAILMASA-N 0 1 448.954 6.133 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000408692865 557103833 /nfs/dbraw/zinc/10/38/33/557103833.db2.gz XFNJMWJEBNRRDV-DHRITJCHSA-N 0 1 426.351 6.217 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408692771 557103894 /nfs/dbraw/zinc/10/38/94/557103894.db2.gz UZUNZUZVGJMVGZ-VULFUBBASA-N 0 1 439.346 6.388 40 30 IKEBMN Cc1ccc2c(c1)N[C@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 ZINC000104214034 557322266 /nfs/dbraw/zinc/32/22/66/557322266.db2.gz ZXGVFQHHLQGPAQ-WIGBRQBFSA-N 0 1 448.353 7.064 40 30 IKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000017101972 557490760 /nfs/dbraw/zinc/49/07/60/557490760.db2.gz AMIUUJYTQBRGGW-NPMABZOXSA-N 0 1 438.358 6.433 40 30 IKEBMN Clc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c(Cl)c1 ZINC000033396490 557808099 /nfs/dbraw/zinc/80/80/99/557808099.db2.gz HTVOUBMYUBSZKI-MSXFZWOLSA-N 0 1 428.344 6.628 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1C ZINC000059194501 557818196 /nfs/dbraw/zinc/81/81/96/557818196.db2.gz JASZAWDKPVWDSQ-MFKUBSTISA-N 0 1 431.517 5.669 40 30 IKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1C ZINC000059194501 557818198 /nfs/dbraw/zinc/81/81/98/557818198.db2.gz JASZAWDKPVWDSQ-MFKUBSTISA-N 0 1 431.517 5.669 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(Cl)c1 ZINC000059194450 557818247 /nfs/dbraw/zinc/81/82/47/557818247.db2.gz LQWRUBGRZJBDFS-ZMOGYAJESA-N 0 1 437.908 5.624 40 30 IKEBMN Clc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000059386988 557822379 /nfs/dbraw/zinc/82/23/79/557822379.db2.gz VRRUYNYBJLIOEO-JFLMPSFJSA-N 0 1 443.959 7.128 40 30 IKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(Cl)c1O ZINC000096640213 557838469 /nfs/dbraw/zinc/83/84/69/557838469.db2.gz BQKVPNODWHEEJH-IOXNKQMXSA-N 0 1 438.587 5.181 40 30 IKEBMN BrC(=NNc1ccc(Br)cc1Br)c1ccccc1 ZINC000255004042 569274011 /nfs/dbraw/zinc/27/40/11/569274011.db2.gz LCAVXBLQYLZLDG-UHFFFAOYSA-N 0 1 432.941 5.380 40 30 IKEBMN COc1ccc2[nH]c(CN3CCC(c4csc(Nc5cc(C#N)ccn5)n4)CC3)cc2c1 ZINC000585295336 568632190 /nfs/dbraw/zinc/63/21/90/568632190.db2.gz VSHTUYGJXHFQAS-UHFFFAOYSA-N 0 1 444.564 5.023 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)SC2=N)s1 ZINC000033533462 569261777 /nfs/dbraw/zinc/26/17/77/569261777.db2.gz QQKAWCBLQQWTDL-JGOBEUKDSA-N 0 1 426.542 5.065 40 30 IKEBMN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 ZINC000038180006 569262102 /nfs/dbraw/zinc/26/21/02/569262102.db2.gz MHYBWYHRROVXPX-HWDKICEFSA-N 0 1 439.342 7.771 40 30 IKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(Cl)c1C ZINC000107607202 569262243 /nfs/dbraw/zinc/26/22/43/569262243.db2.gz WHDRFNUQYCELMY-LOLYAUBJSA-N 0 1 427.982 5.930 40 30 IKEBMN COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O ZINC000003140570 569440870 /nfs/dbraw/zinc/44/08/70/569440870.db2.gz YXDGRDFYLGMKFA-FOKLQQMPSA-N 0 1 439.265 5.428 40 30 IKEBMN N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1 ZINC000585294701 569583042 /nfs/dbraw/zinc/58/30/42/569583042.db2.gz UGBDLTHGKSERSU-JOCHJYFZSA-N 0 1 445.592 5.812 40 30 IKEBMN C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)Oc1ccccc1)c1ccnc2ccc(OC)cc21 ZINC000095871229 123396411 /nfs/dbraw/zinc/39/64/11/123396411.db2.gz QYPJZCMPIALCAQ-KBFVSZBXSA-N 0 1 444.531 5.397 40 30 IKEBMN Brc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000012464513 518217732 /nfs/dbraw/zinc/21/77/32/518217732.db2.gz WCKHDOFNDAMKOH-ONUIUJJFSA-N 0 1 432.365 5.171 40 30 IKEBMN C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc(Oc2ccccc2)c1 ZINC000012464644 518381207 /nfs/dbraw/zinc/38/12/07/518381207.db2.gz ULCLEKMRWRWIDI-VAMRJTSQSA-N 0 1 445.566 6.200 40 30 IKEBMN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CN(Cc1cc2ccccc2o1)Cc1cc2ccccc2o1 ZINC000020462752 519300874 /nfs/dbraw/zinc/30/08/74/519300874.db2.gz OTZLGHULPFHRHI-AWRGLXIESA-N 0 1 426.560 6.078 40 30 biogenic,in-vitro IKEBMN Cc1ccc(S(=O)(=O)ON=C2C[C@@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)cc1 ZINC000073336585 525623934 /nfs/dbraw/zinc/62/39/34/525623934.db2.gz MTAKRODIHJFYMH-DQEYMECFSA-N 0 1 434.561 5.265 40 30 IKEBMN Oc1c(Br)cc(Br)cc1/C=N\c1ccc(Br)cc1 ZINC000012428965 526323725 /nfs/dbraw/zinc/32/37/25/526323725.db2.gz CVXMCWODKNBQFO-IDUWFGFVSA-N 0 1 433.925 5.430 40 30 IKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 ZINC000003059692 526325050 /nfs/dbraw/zinc/32/50/50/526325050.db2.gz FHGVWDMNDIAYQP-FOKLQQMPSA-N 0 1 427.685 6.367 40 30 IKEBMN Cn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408658429 556035771 /nfs/dbraw/zinc/03/57/71/556035771.db2.gz OCEGAFFFCDIJFR-ZVHZXABRSA-N 0 1 435.325 5.361 40 30 IKEBMN CC(C)(C)C(=O)C=C(NN=C(c1ccccc1)c1ccccc1)C(=O)CC(=O)C(C)(C)C ZINC000005544622 556058365 /nfs/dbraw/zinc/05/83/65/556058365.db2.gz NFTNSKMJKCHGQV-SVJWQLCWSA-N 0 1 432.564 5.585 40 30 IKEBMN CC(C)(C)C(=O)C=C(NN=C(c1ccccc1)c1ccccc1)C(=O)C=C(O)C(C)(C)C ZINC000005544622 556058367 /nfs/dbraw/zinc/05/83/67/556058367.db2.gz NFTNSKMJKCHGQV-SVJWQLCWSA-N 0 1 432.564 5.585 40 30 IKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000039921291 556438036 /nfs/dbraw/zinc/43/80/36/556438036.db2.gz GSQAAKAOMJBFDI-XMMPIXPASA-N 0 1 446.528 6.757 40 30 IKEBMN CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccccc1 ZINC000408859470 556452774 /nfs/dbraw/zinc/45/27/74/556452774.db2.gz XVIDUEJYRQFNFV-OYKKKHCWSA-N 0 1 426.314 5.268 40 30 IKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408909610 556496601 /nfs/dbraw/zinc/49/66/01/556496601.db2.gz HLUGMEUCCGRBHJ-UUYOSTAYSA-N 0 1 427.302 5.519 40 30 IKEBMN CCOCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccccc1 ZINC000408929469 556523245 /nfs/dbraw/zinc/52/32/45/556523245.db2.gz JWSMEPBLLXPHOT-RVIYGNEXSA-N 0 1 437.348 5.340 40 30 IKEBMN CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000031854271 556527242 /nfs/dbraw/zinc/52/72/42/556527242.db2.gz MYPIDUAGIKJSKG-AWQFTUOYSA-N 0 1 440.135 5.262 40 30 IKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408945943 556546239 /nfs/dbraw/zinc/54/62/39/556546239.db2.gz XSLBOQDZPZXFRQ-SKKTVYBZSA-N 0 1 445.360 6.732 40 30 IKEBMN COC(=O)c1ccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000016194225 556589601 /nfs/dbraw/zinc/58/96/01/556589601.db2.gz ZLTJOFHBQOAPIS-DICXZTSXSA-N 0 1 438.439 5.998 40 30 IKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O ZINC000016269549 556596352 /nfs/dbraw/zinc/59/63/52/556596352.db2.gz MSCKFXVKMYTNCZ-YSURURNPSA-N 0 1 425.803 5.960 40 30 IKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000016525146 556614073 /nfs/dbraw/zinc/61/40/73/556614073.db2.gz ARYPXBNQBZDURK-FOKLQQMPSA-N 0 1 426.701 6.102 40 30 IKEBMN Clc1ccc(Cc2[nH]c3ccccc3c2C=NN=c2[nH]c3ccccc3[nH]2)c(Cl)c1 ZINC000408974640 556615656 /nfs/dbraw/zinc/61/56/56/556615656.db2.gz FUIUNXSLLIRCDI-LGJNPRDNSA-N 0 1 434.330 6.388 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O ZINC000016688206 556626032 /nfs/dbraw/zinc/62/60/32/556626032.db2.gz HNQIUOQPDDNNDU-WYMPLXKRSA-N 0 1 436.855 5.646 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007717 556713893 /nfs/dbraw/zinc/71/38/93/556713893.db2.gz QMRUAKLBAMXTRB-AFUMVMLFSA-N 0 1 446.532 5.077 40 30 IKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007717 556713896 /nfs/dbraw/zinc/71/38/96/556713896.db2.gz QMRUAKLBAMXTRB-AFUMVMLFSA-N 0 1 446.532 5.077 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C ZINC000409008578 556714120 /nfs/dbraw/zinc/71/41/20/556714120.db2.gz YDVLLMBEAPXBHO-QFEZKATASA-N 0 1 446.532 5.077 40 30 IKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C ZINC000409008578 556714123 /nfs/dbraw/zinc/71/41/23/556714123.db2.gz YDVLLMBEAPXBHO-QFEZKATASA-N 0 1 446.532 5.077 40 30 IKEBMN CCOc1cc(Cl)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409066762 556769801 /nfs/dbraw/zinc/76/98/01/556769801.db2.gz PLIHUZVVFHTSHM-AUEPDCJTSA-N 0 1 431.798 5.510 40 30 IKEBMN CC[C@H](C)Oc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409096555 556794832 /nfs/dbraw/zinc/79/48/32/556794832.db2.gz KLYACAHTXUJZEJ-QPDIMOPTSA-N 0 1 445.825 5.899 40 30 IKEBMN CC[C@@H](C)Oc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409097674 556795128 /nfs/dbraw/zinc/79/51/28/556795128.db2.gz NTTNQMHDNOGXFK-PTGPUUDJSA-N 0 1 446.267 5.495 40 30 IKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409098579 556795641 /nfs/dbraw/zinc/79/56/41/556795641.db2.gz QSMKOMCXTCRHBN-IPBVOBEMSA-N 0 1 449.860 6.096 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 ZINC000409102762 556796179 /nfs/dbraw/zinc/79/61/79/556796179.db2.gz UAQBRZAGVZUQCD-KVSWJAHQSA-N 0 1 449.860 6.178 40 30 IKEBMN C#CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409106087 556797332 /nfs/dbraw/zinc/79/73/32/556797332.db2.gz LZDIHJBDYXRSJG-BHGWPJFGSA-N 0 1 441.793 5.124 40 30 IKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409105055 556798061 /nfs/dbraw/zinc/79/80/61/556798061.db2.gz IFWCMLRTWBIPFY-KBKYJPHKSA-N 0 1 446.385 5.042 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O ZINC000008935080 556852780 /nfs/dbraw/zinc/85/27/80/556852780.db2.gz MSVZVFYBFZUNLH-DHRITJCHSA-N 0 1 431.448 5.875 40 30 IKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408945934 556897443 /nfs/dbraw/zinc/89/74/43/556897443.db2.gz XSLBOQDZPZXFRQ-BGXAXVOZSA-N 0 1 445.360 6.732 40 30 IKEBMN Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccc(C)cc5[nH]4)o3)S2)cc1 ZINC000408963292 556901746 /nfs/dbraw/zinc/90/17/46/556901746.db2.gz BIDPIOHJSOAQND-XDHOZWIPSA-N 0 1 446.557 5.816 40 30 IKEBMN CC(C)c1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 ZINC000409096721 556953236 /nfs/dbraw/zinc/95/32/36/556953236.db2.gz KKFQXXINAQBPIG-DJKKODMXSA-N 0 1 444.110 5.633 40 30 IKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C ZINC000409096851 556953228 /nfs/dbraw/zinc/95/32/28/556953228.db2.gz KVBWXUMFRNAENU-PGGKNCGUSA-N 0 1 446.267 5.495 40 30 IKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000409101738 556956065 /nfs/dbraw/zinc/95/60/65/556956065.db2.gz QXPTYLJKFWISGL-AUEPDCJTSA-N 0 1 447.398 5.680 40 30 IKEBMN O=[N+]([O-])c1cc(C=Nc2ccc(Cl)cc2)ccc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000409194987 556993627 /nfs/dbraw/zinc/99/36/27/556993627.db2.gz RUJILCFIKDYCRT-YDZHTSKRSA-N 0 1 435.896 5.935 40 30 IKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1 ZINC000408659100 557095061 /nfs/dbraw/zinc/09/50/61/557095061.db2.gz OTCTZUOILBUQLZ-CVKSISIWSA-N 0 1 434.927 5.650 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408692250 557103165 /nfs/dbraw/zinc/10/31/65/557103165.db2.gz ILLHXHGJNPXAOU-VULFUBBASA-N 0 1 439.346 6.388 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408692874 557103722 /nfs/dbraw/zinc/10/37/22/557103722.db2.gz XIUJTHUBAHBLOD-UXHLAJHPSA-N 0 1 443.554 6.658 40 30 IKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Br)cc1 ZINC000408692873 557103884 /nfs/dbraw/zinc/10/38/84/557103884.db2.gz XHVMBHVXMZTHAF-MFKUBSTISA-N 0 1 449.352 5.844 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408692873 557103888 /nfs/dbraw/zinc/10/38/88/557103888.db2.gz XHVMBHVXMZTHAF-MFKUBSTISA-N 0 1 449.352 5.844 40 30 IKEBMN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1 ZINC000003139415 557115772 /nfs/dbraw/zinc/11/57/72/557115772.db2.gz ZZUDPWAVPADLNF-DHRITJCHSA-N 0 1 441.468 6.187 40 30 IKEBMN O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000408726427 557137324 /nfs/dbraw/zinc/13/73/24/557137324.db2.gz NQTDPDHNUJGPRZ-TVNBHEQGSA-N 0 1 447.387 6.636 40 30 IKEBMN COc1ccc(N=C(Nc2ccc(I)cc2)c2ccccc2)cc1 ZINC000016216891 557153715 /nfs/dbraw/zinc/15/37/15/557153715.db2.gz HJQZDVJAVFNKDN-UHFFFAOYSA-N 0 1 428.273 5.490 40 30 IKEBMN O=C(C1CCCCC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100115646 557240940 /nfs/dbraw/zinc/24/09/40/557240940.db2.gz ZSCSEYRTJFTOQR-RXMQYKEDSA-N 0 1 444.187 5.054 40 30 IKEBMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Br)cc1 ZINC000100442310 557261378 /nfs/dbraw/zinc/26/13/78/557261378.db2.gz CVXMCWODKNBQFO-REZTVBANSA-N 0 1 433.925 5.430 40 30 IKEBMN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000101573468 557294128 /nfs/dbraw/zinc/29/41/28/557294128.db2.gz RTQUVIKQMWQVQF-UOODYVSWSA-N 0 1 435.936 5.505 40 30 IKEBMN Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1 ZINC000102896297 557309403 /nfs/dbraw/zinc/30/94/03/557309403.db2.gz ORXNONNFHLAHLN-KZSQTELISA-N 0 1 439.471 5.583 40 30 IKEBMN C=C([NH+]=C1C=CC(=NNc2ccccc2)C(C)=C1C)c1c([O-])c2ccccc2n(CC)c1=O ZINC000103462022 557315714 /nfs/dbraw/zinc/31/57/14/557315714.db2.gz GEZLFVYKPYVREM-DOJSKZQGSA-N 0 1 438.531 6.900 40 30 IKEBMN O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693174 557318031 /nfs/dbraw/zinc/31/80/31/557318031.db2.gz DKTMGOWAHFWZTD-IPQOISQHSA-N 0 1 428.702 5.998 40 30 IKEBMN Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2 ZINC000104214039 557322204 /nfs/dbraw/zinc/32/22/04/557322204.db2.gz ZXGVFQHHLQGPAQ-VLQKAMOESA-N 0 1 448.353 7.064 40 30 IKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000104213856 557322240 /nfs/dbraw/zinc/32/22/40/557322240.db2.gz LJFCTAIRZSFJMR-KVSWJAHQSA-N 0 1 439.264 7.081 40 30 IKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)cc3)nc2c1 ZINC000017096464 557476650 /nfs/dbraw/zinc/47/66/50/557476650.db2.gz HGFJBZOXMMGFNC-IXORVSQSSA-N 0 1 429.476 6.681 40 30 IKEBMN CCN1c2cc(C)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223572400 557487767 /nfs/dbraw/zinc/48/77/67/557487767.db2.gz BRPFAJXIVMIAOT-LUILSVGHSA-N 0 1 425.489 5.370 40 30 IKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 ZINC000017103136 557491962 /nfs/dbraw/zinc/49/19/62/557491962.db2.gz KHHZDOALFTVXOL-ZKJHFGPLSA-N 0 1 439.342 7.771 40 30 IKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020228642 557518199 /nfs/dbraw/zinc/51/81/99/557518199.db2.gz MAFIBKQOCLKYDH-YDZHTSKRSA-N 0 1 434.477 5.238 40 30 IKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020228642 557518201 /nfs/dbraw/zinc/51/82/01/557518201.db2.gz MAFIBKQOCLKYDH-YDZHTSKRSA-N 0 1 434.477 5.238 40 30 IKEBMN CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000059194455 557818290 /nfs/dbraw/zinc/81/82/90/557818290.db2.gz AYDOEDYCJWLNIF-WGOQTCKBSA-N 0 1 429.545 6.259 40 30 IKEBMN CC(C)(C)c1ccc(C(=O)Oc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000059194455 557818293 /nfs/dbraw/zinc/81/82/93/557818293.db2.gz AYDOEDYCJWLNIF-WGOQTCKBSA-N 0 1 429.545 6.259 40 30 IKEBMN Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1Cl ZINC000059194507 557818297 /nfs/dbraw/zinc/81/82/97/557818297.db2.gz RFVDXASQPCUYEK-WYMPLXKRSA-N 0 1 428.344 6.628 40 30 IKEBMN Clc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1Cl ZINC000059194507 557818300 /nfs/dbraw/zinc/81/83/00/557818300.db2.gz RFVDXASQPCUYEK-WYMPLXKRSA-N 0 1 428.344 6.628 40 30 IKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459250 557821132 /nfs/dbraw/zinc/82/11/32/557821132.db2.gz CSJZAHFCBSKOJE-LUOAPIJWSA-N 0 1 440.248 7.047 40 30 IKEBMN Clc1ccc(COc2ccc3ccccc3c2C=NNc2nc3ccccc3[nH]2)cc1 ZINC000059417076 557822745 /nfs/dbraw/zinc/82/27/45/557822745.db2.gz FWTDAAQQISERSB-JFLMPSFJSA-N 0 1 426.907 6.395 40 30 IKEBMN Oc1c(Cl)cccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475473 557824853 /nfs/dbraw/zinc/82/48/53/557824853.db2.gz ZLZZVSPDBXVBGH-IOXBOXJCSA-N 0 1 429.719 6.094 40 30 IKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000059483116 557825092 /nfs/dbraw/zinc/82/50/92/557825092.db2.gz AKCBLWWUFCPPPD-RPPGKUMJSA-N 0 1 442.733 6.956 40 30 IKEBMN O=[N+]([O-])c1ccc(Oc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c([N+](=O)[O-])c1 ZINC000059514294 557826837 /nfs/dbraw/zinc/82/68/37/557826837.db2.gz HDCJWEHABPPKOL-CIAFOILYSA-N 0 1 435.421 5.351 40 30 IKEBMN Cc1c2ccccc2[nH]c1CN1CCCC[C@@H]1c1cc(Nc2ccc(C#N)nc2)nc(C)n1 ZINC000585295086 568633011 /nfs/dbraw/zinc/63/30/11/568633011.db2.gz ZPNHYEPCIOGBQE-RUZDIDTESA-N 0 1 437.551 5.312 40 30 IKEBMN CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)c2ccccc12 ZINC000033712143 569261851 /nfs/dbraw/zinc/26/18/51/569261851.db2.gz GVTYRXPFNWUZFB-OBDXBSDPSA-N 0 1 437.590 5.850 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(C)c1 ZINC000035132548 569262009 /nfs/dbraw/zinc/26/20/09/569262009.db2.gz XONUIYXPPCBQFA-FJNOFKGGSA-N 0 1 443.597 6.181 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)SC2=N)s1 ZINC000034878054 569262012 /nfs/dbraw/zinc/26/20/12/569262012.db2.gz WTAFIAOERBNUDQ-VKGFHSIMSA-N 0 1 442.997 5.579 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(C)c1 ZINC000034718168 569262021 /nfs/dbraw/zinc/26/20/21/569262021.db2.gz RPSVBMORLRTSLT-XYJKTABCSA-N 0 1 436.558 5.457 40 30 IKEBMN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c(Cl)c1 ZINC000038162569 569262135 /nfs/dbraw/zinc/26/21/35/569262135.db2.gz KJSNIGFXBLTMMU-KIBLKLHPSA-N 0 1 445.689 5.904 40 30 IKEBMN COc1cc(COc2ccc(Br)cc2/C=N\O)ccc1OCc1ccccc1 ZINC000107842128 569262366 /nfs/dbraw/zinc/26/23/66/569262366.db2.gz JQACGPSHFLNPGY-CFRMEGHHSA-N 0 1 442.309 5.424 40 30 IKEBMN N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(O)=C1c1nccs1 ZINC000108087397 569262388 /nfs/dbraw/zinc/26/23/88/569262388.db2.gz PRUIOZILTKEDFV-PLXYEHFVSA-N 0 1 442.565 6.293 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(F)c1 ZINC000107735066 569262396 /nfs/dbraw/zinc/26/23/96/569262396.db2.gz FTPXLSCKJZDFHU-OKYLLYMWSA-N 0 1 440.521 5.288 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)SC2=N)s1 ZINC000107895083 569262409 /nfs/dbraw/zinc/26/24/09/569262409.db2.gz ITBAVBBDPGOBRV-JXMVDPOESA-N 0 1 444.585 5.521 40 30 IKEBMN Oc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1Br ZINC000109502492 569262540 /nfs/dbraw/zinc/26/25/40/569262540.db2.gz BFHGJTOLMYNKJX-AUEPDCJTSA-N 0 1 443.684 6.073 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(C)C)c4ccccc34)SC2=N)s1 ZINC000138162137 569262588 /nfs/dbraw/zinc/26/25/88/569262588.db2.gz IMDSMROLARKMDM-IXPXTECGSA-N 0 1 437.590 5.706 40 30 IKEBMN Oc1c(Br)cc(Br)cc1/C=N\c1nc(-c2ccccc2)cs1 ZINC000104188975 518203610 /nfs/dbraw/zinc/20/36/10/518203610.db2.gz ZSQVWGNKELPHOV-UWVJOHFNSA-N 0 1 438.144 5.791 40 30 IKEBMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000012466371 523176084 /nfs/dbraw/zinc/17/60/84/523176084.db2.gz PXBFEAZUEIFSCE-MYYYXRDXSA-N 0 1 446.532 5.086 40 30 IKEBMN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1Sc1ccc(Cl)cc1 ZINC000032116859 527326506 /nfs/dbraw/zinc/32/65/06/527326506.db2.gz PFOIQZHRODKDDQ-UUYOSTAYSA-N 0 1 440.937 6.455 40 30 IKEBMN O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cl)cc(Br)c2O)c(Cl)c1 ZINC000016385806 527364437 /nfs/dbraw/zinc/36/44/37/527364437.db2.gz IANUQNUGASGKDB-AWQFTUOYSA-N 0 1 447.116 5.291 40 30 IKEBMN CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000005065304 556030914 /nfs/dbraw/zinc/03/09/14/556030914.db2.gz PCAIZXFSAQUOMS-JUCPORTRSA-N 0 1 427.269 5.841 40 30 IKEBMN Cc1cccc(Cn2cc(C=C3SC(=N)C(c4nccs4)=C3O)c3ccccc32)c1 ZINC000035352352 556081004 /nfs/dbraw/zinc/08/10/04/556081004.db2.gz UKVDJUXDOGAWBA-YFPORYOGSA-N 0 1 429.570 5.872 40 30 IKEBMN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1 ZINC000035352135 556081022 /nfs/dbraw/zinc/08/10/22/556081022.db2.gz DVFRERMNILFVNZ-MUNQKHPHSA-N 0 1 436.558 5.539 40 30 IKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O ZINC000016194960 556589488 /nfs/dbraw/zinc/58/94/88/556589488.db2.gz DFONAAYJLBXDIR-FOKLQQMPSA-N 0 1 439.880 5.990 40 30 IKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1O ZINC000016269533 556596251 /nfs/dbraw/zinc/59/62/51/556596251.db2.gz MQGLXKZONDACEC-RPPGKUMJSA-N 0 1 443.381 5.631 40 30 IKEBMN Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccccc1 ZINC000016282662 556596737 /nfs/dbraw/zinc/59/67/37/556596737.db2.gz YNBRIQFDURCBGP-WYMPLXKRSA-N 0 1 443.728 6.119 40 30 IKEBMN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1cc(F)ccc1O)c1ccccc1 ZINC000018207012 556686858 /nfs/dbraw/zinc/68/68/58/556686858.db2.gz BRTBFLOXOZZEKE-FOKLQQMPSA-N 0 1 439.295 5.390 40 30 IKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000170414906 556692590 /nfs/dbraw/zinc/69/25/90/556692590.db2.gz FHJJNUQUONLMAD-QHCPKHFHSA-N 0 1 435.564 5.378 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccc(F)cc1 ZINC000136048286 556721972 /nfs/dbraw/zinc/72/19/72/556721972.db2.gz QRJBCIDGWWQNKY-YEWWOHFJSA-N 0 1 440.521 5.288 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)SC2=N)s1 ZINC000136444800 556722659 /nfs/dbraw/zinc/72/26/59/556722659.db2.gz HMBJRYXRASHMAK-ZQJMEWMBSA-N 0 1 436.606 5.543 40 30 IKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(C)c1 ZINC000137472247 556724014 /nfs/dbraw/zinc/72/40/14/556724014.db2.gz RPSVBMORLRTSLT-GQNWJCCQSA-N 0 1 436.558 5.457 40 30 IKEBMN Clc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1Cl ZINC000409074260 556776122 /nfs/dbraw/zinc/77/61/22/556776122.db2.gz SREAWXVQWPQCSY-WYMPLXKRSA-N 0 1 428.344 6.628 40 30 IKEBMN FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 ZINC000409076073 556776914 /nfs/dbraw/zinc/77/69/14/556776914.db2.gz XKSAINONQQVRMD-YPXUMCKCSA-N 0 1 440.252 6.432 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1 ZINC000409095237 556794286 /nfs/dbraw/zinc/79/42/86/556794286.db2.gz HCKDSZGWFVMLHV-KVSWJAHQSA-N 0 1 433.405 5.663 40 30 IKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)nc1 ZINC000409096501 556794726 /nfs/dbraw/zinc/79/47/26/556794726.db2.gz KIXHJYCIOJMATM-YPXUMCKCSA-N 0 1 440.252 6.432 40 30 IKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1 ZINC000409105189 556798067 /nfs/dbraw/zinc/79/80/67/556798067.db2.gz JPXBNAVYSDPBNT-XODNFHPESA-N 0 1 429.442 5.833 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O ZINC000008935278 556852749 /nfs/dbraw/zinc/85/27/49/556852749.db2.gz KCEXIVWNDDRQJQ-AFUMVMLFSA-N 0 1 446.463 5.324 40 30 IKEBMN Oc1c(Br)cc(Br)cc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000408931313 556894767 /nfs/dbraw/zinc/89/47/67/556894767.db2.gz JWRYBWQKZQKUDY-SCDVKCJHSA-N 0 1 438.041 5.382 40 30 IKEBMN Cc1nn(-c2cccc3ccccc32)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000408994770 556913291 /nfs/dbraw/zinc/91/32/91/556913291.db2.gz IXSGSLGMYPNCGW-ZRGSRPPYSA-N 0 1 443.765 7.049 40 30 IKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 ZINC000409094950 556950276 /nfs/dbraw/zinc/95/02/76/556950276.db2.gz GPQLBSQFJUDSDO-LUOAPIJWSA-N 0 1 435.833 5.787 40 30 IKEBMN Oc1c(I)cc(Br)cc1/C=N/c1cccc(Cl)c1 ZINC000409101440 556955829 /nfs/dbraw/zinc/95/58/29/556955829.db2.gz UABFXKYFAQRLTI-REZTVBANSA-N 0 1 436.474 5.163 40 30 IKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 ZINC000409101880 556956009 /nfs/dbraw/zinc/95/60/09/556956009.db2.gz ZIMYLYQAAFAREZ-PGGKNCGUSA-N 0 1 444.638 6.222 40 30 IKEBMN Cc1ccc(/N=C2/SC(Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000409149343 556974375 /nfs/dbraw/zinc/97/43/75/556974375.db2.gz CAZWPTZKOPMNOL-KXYXFYQNSA-N 0 1 441.556 5.250 40 30 IKEBMN Cc1ccc(/N=C2/SC(Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000409149342 556974432 /nfs/dbraw/zinc/97/44/32/556974432.db2.gz CAZWPTZKOPMNOL-HZNCDDNJSA-N 0 1 441.556 5.250 40 30 IKEBMN C=C1C(C)=C(O)C(=Nc2cccc(C(F)(F)F)c2)C=C1Nc1cccc(C(F)(F)F)c1 ZINC000096835762 556980766 /nfs/dbraw/zinc/98/07/66/556980766.db2.gz LFZJSFASMKAPFA-MIXAMLLLSA-N 0 1 438.371 6.712 40 30 IKEBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 ZINC000208247208 557080124 /nfs/dbraw/zinc/08/01/24/557080124.db2.gz VWVLDCHQXCLOTH-JHAVZTMOSA-N 0 1 431.880 5.324 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000408692022 557102771 /nfs/dbraw/zinc/10/27/71/557102771.db2.gz BOAZAKFSNKRQGE-LQKURTRISA-N 0 1 441.966 6.467 40 30 IKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccccc1Cl ZINC000408692278 557103206 /nfs/dbraw/zinc/10/32/06/557103206.db2.gz JABDSFNNSZORFJ-JVWAILMASA-N 0 1 448.954 6.133 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2C(=O)OC(C)C)c1C ZINC000408692550 557103841 /nfs/dbraw/zinc/10/38/41/557103841.db2.gz PAFLZRRAUHCJKH-JVWAILMASA-N 0 1 443.551 5.475 40 30 IKEBMN CCOC(=O)c1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)cc1 ZINC000408692542 557103860 /nfs/dbraw/zinc/10/38/60/557103860.db2.gz OWNKFWCVIVXYQM-WGOQTCKBSA-N 0 1 429.524 5.086 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408692682 557103876 /nfs/dbraw/zinc/10/38/76/557103876.db2.gz SCRZTOLWQCKRQJ-DHRITJCHSA-N 0 1 426.351 6.217 40 30 IKEBMN CCOC(=O)c1ccccc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3n2CC)c1C ZINC000408692815 557103902 /nfs/dbraw/zinc/10/39/02/557103902.db2.gz WBPRQLOJRFMYDE-WGOQTCKBSA-N 0 1 429.524 5.086 40 30 IKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000408692963 557104063 /nfs/dbraw/zinc/10/40/63/557104063.db2.gz ZLBXDNVWJLFZQW-ZMOGYAJESA-N 0 1 436.903 5.471 40 30 IKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000408702968 557120664 /nfs/dbraw/zinc/12/06/64/557120664.db2.gz WYUVBLOTASZFOR-FQEVSTJZSA-N 0 1 448.346 5.387 40 30 IKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000408702969 557121003 /nfs/dbraw/zinc/12/10/03/557121003.db2.gz WYUVBLOTASZFOR-HXUWFJFHSA-N 0 1 448.346 5.387 40 30 IKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(Br)cc2)cc1 ZINC000100389851 557259424 /nfs/dbraw/zinc/25/94/24/557259424.db2.gz XWCSFRGVLNKEAW-HYARGMPZSA-N 0 1 429.339 5.309 40 30 IKEBMN Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1 ZINC000102896292 557309413 /nfs/dbraw/zinc/30/94/13/557309413.db2.gz ORXNONNFHLAHLN-OZEVPFDHSA-N 0 1 439.471 5.583 40 30 IKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc(Br)ccc2O)cc1 ZINC000104099748 557320406 /nfs/dbraw/zinc/32/04/06/557320406.db2.gz ONAQJBBIODTJEW-XKZIYDEJSA-N 0 1 445.338 5.015 40 30 IKEBMN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1cc(F)ccc1O)c1ccccc1 ZINC000104116016 557320630 /nfs/dbraw/zinc/32/06/30/557320630.db2.gz BRTBFLOXOZZEKE-KSEXSDGBSA-N 0 1 439.295 5.390 40 30 IKEBMN N#Cc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1C#N ZINC000000844116 557402340 /nfs/dbraw/zinc/40/23/40/557402340.db2.gz WSPWEOHQQSZEMX-UHFFFAOYSA-N 0 1 425.289 5.917 40 30 IKEBMN Cc1c(C=NNc2nc3ccccc3s2)c2ccccc2n1Cc1ccccc1Cl ZINC000014408462 557444026 /nfs/dbraw/zinc/44/40/26/557444026.db2.gz WQFHOQRDZAPCKI-VULFUBBASA-N 0 1 430.964 6.707 40 30 IKEBMN Clc1cccc(COc2ccc(Cl)cc2C=NNc2nc3ccccc3s2)c1 ZINC000014408406 557444150 /nfs/dbraw/zinc/44/41/50/557444150.db2.gz QDKIBTLKTFCUNR-WYMPLXKRSA-N 0 1 428.344 6.628 40 30 IKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000015931473 557466955 /nfs/dbraw/zinc/46/69/55/557466955.db2.gz IUHIZDWNXGMFNF-AFUMVMLFSA-N 0 1 437.952 6.373 40 30 IKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000015931473 557466959 /nfs/dbraw/zinc/46/69/59/557466959.db2.gz IUHIZDWNXGMFNF-AFUMVMLFSA-N 0 1 437.952 6.373 40 30 IKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccc(Cl)cc1Cl ZINC000017101970 557490731 /nfs/dbraw/zinc/49/07/31/557490731.db2.gz AMIUUJYTQBRGGW-JCQPUDPBSA-N 0 1 438.358 6.433 40 30 IKEBMN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 ZINC000017103134 557492034 /nfs/dbraw/zinc/49/20/34/557492034.db2.gz KHHZDOALFTVXOL-HWDKICEFSA-N 0 1 439.342 7.771 40 30 IKEBMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059484239 557825293 /nfs/dbraw/zinc/82/52/93/557825293.db2.gz AEWCZIQRHXWGLF-DHRITJCHSA-N 0 1 440.355 6.936 40 30 IKEBMN Oc1c(Br)cc(I)cc1/C=N/c1ccc(Cl)cc1 ZINC000032121267 568866223 /nfs/dbraw/zinc/86/62/23/568866223.db2.gz LQVFCGXDCNZIAQ-REZTVBANSA-N 0 1 436.474 5.163 40 30 IKEBMN CCCCCCCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000097980696 568899788 /nfs/dbraw/zinc/89/97/88/568899788.db2.gz WWKIKNAEGWPEJA-MFKUBSTISA-N 0 1 427.803 7.832 40 30 IKEBMN CCOc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000057622567 569249530 /nfs/dbraw/zinc/24/95/30/569249530.db2.gz SBXVKUKNWLNMAT-PCLIKHOPSA-N 0 1 430.533 5.468 40 30 IKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000033768303 569261847 /nfs/dbraw/zinc/26/18/47/569261847.db2.gz PJEDWEMBGXMQMM-XTFHTREESA-N 0 1 427.982 5.930 40 30 IKEBMN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000105606098 569262250 /nfs/dbraw/zinc/26/22/50/569262250.db2.gz PHQZRCYWTBDRKQ-PYCFMQQDSA-N 0 1 436.577 5.257 40 30 IKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)SC2=N)s1 ZINC000107543392 569262261 /nfs/dbraw/zinc/26/22/61/569262261.db2.gz FQQPVXOSDRGSML-PYXFXZIOSA-N 0 1 436.606 5.543 40 30 IKEBMN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Cl)cc(Cl)c1O)CCCC2 ZINC000106775942 569262285 /nfs/dbraw/zinc/26/22/85/569262285.db2.gz UDXGDKWDIJDQJR-MRUKODCESA-N 0 1 449.359 5.913 40 30 IKEBMN COc1cccc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109502584 569262551 /nfs/dbraw/zinc/26/25/51/569262551.db2.gz QZPAZLBFBUDUMA-FOKLQQMPSA-N 0 1 439.265 5.428 40 30 IKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(Cl)c1C ZINC000137888762 569262600 /nfs/dbraw/zinc/26/26/00/569262600.db2.gz WHDRFNUQYCELMY-HOMFIKRPSA-N 0 1 427.982 5.930 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccccc1 ZINC000137831598 569262613 /nfs/dbraw/zinc/26/26/13/569262613.db2.gz MEKVIHQEISFVFX-ZVSSNCFVSA-N 0 1 429.570 5.872 40 30 IKEBMN Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000137811265 569262626 /nfs/dbraw/zinc/26/26/26/569262626.db2.gz YJSFJYWCIIBBIS-ZDYYVWHCSA-N 0 1 447.560 6.011 40 30 IKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O ZINC000003035785 569437941 /nfs/dbraw/zinc/43/79/41/569437941.db2.gz VQXHLYXACXISBL-ZMOGYAJESA-N 0 1 433.489 6.035 40 30 IKEBMN