smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312978 518299266 /nfs/dbraw/zinc/29/92/66/518299266.db2.gz VVXPOWFURFVDQP-NRFANRHFSA-N 0 1 427.545 2.791 50 30 IFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000013551917 522172112 /nfs/dbraw/zinc/17/21/12/522172112.db2.gz WDVVJBPCYLSYAX-FQEVSTJZSA-N 0 1 438.480 2.622 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000013427490 523560341 /nfs/dbraw/zinc/56/03/41/523560341.db2.gz DLHXKALVOABQMF-JOCHJYFZSA-N 0 1 436.508 2.914 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1 ZINC000013130980 523560977 /nfs/dbraw/zinc/56/09/77/523560977.db2.gz LGBLSSWYTFYYBM-QFIPXVFZSA-N 0 1 436.508 2.914 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000013130979 523561043 /nfs/dbraw/zinc/56/10/43/523561043.db2.gz LGBLSSWYTFYYBM-JOCHJYFZSA-N 0 1 436.508 2.914 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013470741 523795848 /nfs/dbraw/zinc/79/58/48/523795848.db2.gz FIPHLACPFPNFFG-FQEVSTJZSA-N 0 1 427.453 2.937 50 30 IFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000013691635 526484794 /nfs/dbraw/zinc/48/47/94/526484794.db2.gz DIIXIPVCMNJBNY-HXUWFJFHSA-N 0 1 426.517 2.954 50 30 IFEAMN CCCCCCn1c(N=NC(C)c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2C ZINC000005295734 556043846 /nfs/dbraw/zinc/04/38/46/556043846.db2.gz FVUICIQYIXUQBV-QRVIBDJDSA-N 0 1 427.465 2.748 50 30 IFEAMN COc1ccc(S(=O)(=O)Oc2ccc(C)cc2/C=N/N=C2\NC(=O)C(C)S2)cc1 ZINC000008400515 556166222 /nfs/dbraw/zinc/16/62/22/556166222.db2.gz SLVUBFKFXXTVPX-HSWQHBDASA-N 0 1 433.511 2.713 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008744145 556208539 /nfs/dbraw/zinc/20/85/39/556208539.db2.gz WQESOXDJAKVMRN-WOOAAIBNSA-N 0 1 425.441 2.587 50 30 IFEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000008860043 556228053 /nfs/dbraw/zinc/22/80/53/556228053.db2.gz VUWXHLRWPJWFPA-JOCHJYFZSA-N 0 1 449.507 2.557 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c(C)c1 ZINC000017138647 556669479 /nfs/dbraw/zinc/66/94/79/556669479.db2.gz SYTNHIJNDRDRIL-HXUWFJFHSA-N 0 1 442.537 2.976 50 30 IFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(F)c2)cc1 ZINC000011913820 556672452 /nfs/dbraw/zinc/67/24/52/556672452.db2.gz CQEBZHOCTPGBKP-PKOBYXMFSA-N 0 1 429.469 2.900 50 30 IFEAMN N#Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1Br ZINC000253424884 556697241 /nfs/dbraw/zinc/69/72/41/556697241.db2.gz LPKSXEUDNGNYGQ-GOSISDBHSA-N 0 1 448.342 2.790 50 30 IFEAMN N#Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1Br ZINC000253424884 556697246 /nfs/dbraw/zinc/69/72/46/556697246.db2.gz LPKSXEUDNGNYGQ-GOSISDBHSA-N 0 1 448.342 2.790 50 30 IFEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1 ZINC000013733117 556721314 /nfs/dbraw/zinc/72/13/14/556721314.db2.gz HMCSVKCXMABIOK-IBGZPJMESA-N 0 1 444.919 2.590 50 30 IFEAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(C#N)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061997540 556763748 /nfs/dbraw/zinc/76/37/48/556763748.db2.gz YOBKNLPGHFIFPD-LFIKFTOSSA-N 0 1 435.568 2.965 50 30 IFEAMN C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCN(C)C ZINC000019861538 556933746 /nfs/dbraw/zinc/93/37/46/556933746.db2.gz PHLACLYELRURET-RUZDIDTESA-N 0 1 449.482 2.652 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020119900 556987567 /nfs/dbraw/zinc/98/75/67/556987567.db2.gz VHCASVUWSDYUST-NRFANRHFSA-N 0 1 440.496 2.852 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000020228032 557001042 /nfs/dbraw/zinc/00/10/42/557001042.db2.gz QQKXJPWVJDDBQW-NRFANRHFSA-N 0 1 440.496 2.852 50 30 IFEAMN C#CCOc1cccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CCc3cnc[nH]3)c2=O)c1 ZINC000604419328 557251462 /nfs/dbraw/zinc/25/14/62/557251462.db2.gz TUROJCLNNMPNDM-FQEVSTJZSA-N 0 1 435.480 2.535 50 30 IFEAMN CC(=O)NCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101478471 557287791 /nfs/dbraw/zinc/28/77/91/557287791.db2.gz UELKQDQTMCRGHS-SELCWUDQSA-N 0 1 443.843 2.806 50 30 IFEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102483972 557330859 /nfs/dbraw/zinc/33/08/59/557330859.db2.gz MASJPGGXQHEUAN-UYTDBDHRSA-N 0 1 447.241 2.771 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102484709 557331204 /nfs/dbraw/zinc/33/12/04/557331204.db2.gz FKWPYAYRJPBDOU-NHFXJNLRSA-N 0 1 427.453 2.517 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102502509 557339084 /nfs/dbraw/zinc/33/90/84/557339084.db2.gz MYXRYWBKABGANU-GHNGSUTGSA-N 0 1 445.541 2.760 50 30 IFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1C ZINC000102530886 557343100 /nfs/dbraw/zinc/34/31/00/557343100.db2.gz MHDQWSHNQYHBHI-ZMESVYRVSA-N 0 1 443.500 2.693 50 30 IFEAMN CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000102547910 557349054 /nfs/dbraw/zinc/34/90/54/557349054.db2.gz IZZXBESHWKAXOU-NHFXJNLRSA-N 0 1 440.452 2.588 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccnc1 ZINC000102526483 557353757 /nfs/dbraw/zinc/35/37/57/557353757.db2.gz MCLZQHRSRYWXFM-OBVHCKHUSA-N 0 1 442.479 2.746 50 30 IFEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102708051 557367508 /nfs/dbraw/zinc/36/75/08/557367508.db2.gz QEGGFXQSHSSVNG-WOOAAIBNSA-N 0 1 428.460 2.826 50 30 IFEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102746393 557378593 /nfs/dbraw/zinc/37/85/93/557378593.db2.gz VMIXJIPKVKTBRH-MRJHHRETSA-N 0 1 440.496 2.696 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000013724602 557388102 /nfs/dbraw/zinc/38/81/02/557388102.db2.gz HWMHWMGZRDZUEI-NRFANRHFSA-N 0 1 440.471 2.745 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102872659 557395873 /nfs/dbraw/zinc/39/58/73/557395873.db2.gz OJGSLBJCDNYCAQ-OBVHCKHUSA-N 0 1 448.523 2.943 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102877344 557406743 /nfs/dbraw/zinc/40/67/43/557406743.db2.gz YFNPCRIJTXHIDO-WOOAAIBNSA-N 0 1 426.425 2.980 50 30 IFEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(Br)cc1 ZINC000102881177 557407644 /nfs/dbraw/zinc/40/76/44/557407644.db2.gz BACCOOCEQUAPTG-IBOXJLQUSA-N 0 1 447.241 2.771 50 30 IFEAMN C=CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O ZINC000006296666 562946612 /nfs/dbraw/zinc/94/66/12/562946612.db2.gz ZSSRLIZQGUAPPM-UHFFFAOYSA-N 0 1 441.509 2.668 50 30 IFEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000017146355 563021460 /nfs/dbraw/zinc/02/14/60/563021460.db2.gz DODXPMPBKLMDNM-JOCHJYFZSA-N 0 1 436.508 2.914 50 30 IFEAMN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCOC ZINC000102892779 568621786 /nfs/dbraw/zinc/62/17/86/568621786.db2.gz ZELCODJKSKUHNV-ICDFRGRZSA-N 0 1 438.480 2.957 50 30 IFEAMN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000025382126 568655568 /nfs/dbraw/zinc/65/55/68/568655568.db2.gz YYWIJTLYDFINLW-HXUWFJFHSA-N 0 1 445.610 2.863 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000217695296 568883118 /nfs/dbraw/zinc/88/31/18/568883118.db2.gz UWZWMUVFZUQWAW-MSZDEVHKSA-N 0 1 443.503 2.707 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000217695296 568883121 /nfs/dbraw/zinc/88/31/21/568883121.db2.gz UWZWMUVFZUQWAW-MSZDEVHKSA-N 0 1 443.503 2.707 50 30 IFEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006445655 568907648 /nfs/dbraw/zinc/90/76/48/568907648.db2.gz RSYLEQPYDDWENX-INIZCTEOSA-N 0 1 447.241 2.928 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000020229839 569356928 /nfs/dbraw/zinc/35/69/28/569356928.db2.gz BRXAOGZLIXAVDQ-LJQANCHMSA-N 0 1 425.441 2.743 50 30 IFEAMN C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(CC)CC1 ZINC000096279737 569389446 /nfs/dbraw/zinc/38/94/46/569389446.db2.gz QVLLHTRRYQVMTC-NRFANRHFSA-N 0 1 430.524 2.533 50 30 IFEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000254821962 569443621 /nfs/dbraw/zinc/44/36/21/569443621.db2.gz UBNIMSOSEKREKV-UHFFFAOYSA-N 0 1 435.282 2.634 50 30 IFEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000008694952 569470229 /nfs/dbraw/zinc/47/02/29/569470229.db2.gz DILPKGUQBXKISU-FQEVSTJZSA-N 0 1 442.899 2.956 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 ZINC000008826925 569477618 /nfs/dbraw/zinc/47/76/18/569477618.db2.gz ZPZIAOXTNLWMNN-QFIPXVFZSA-N 0 1 446.507 2.553 50 30 IFEAMN COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)CC1 ZINC000008834441 569477862 /nfs/dbraw/zinc/47/78/62/569477862.db2.gz PUKHCRRUJLXFBD-LJQANCHMSA-N 0 1 443.507 2.943 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)c1C ZINC000009123040 569504204 /nfs/dbraw/zinc/50/42/04/569504204.db2.gz GXEJKGRQRAXWDU-HXUWFJFHSA-N 0 1 446.463 2.987 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000009123710 569504230 /nfs/dbraw/zinc/50/42/30/569504230.db2.gz XHFZHIZXGFYNMT-YDJIHCHBSA-N 0 1 428.435 2.719 50 30 IFEAMN COc1ccc([N-]S(=O)(=O)c2ccc(N=NC3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000009183544 569509850 /nfs/dbraw/zinc/50/98/50/569509850.db2.gz TXXXMVRPFZJLNF-UHFFFAOYSA-N 0 1 433.490 2.898 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000009187723 569510409 /nfs/dbraw/zinc/51/04/09/569510409.db2.gz BCOBGJNFVLKDGY-CTDFXDFQSA-N 0 1 426.469 2.836 50 30 IFEAMN COc1cccc([C@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000009187724 569510427 /nfs/dbraw/zinc/51/04/27/569510427.db2.gz BCOBGJNFVLKDGY-CFGKVWFZSA-N 0 1 426.469 2.836 50 30 IFEAMN C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000009310291 569521698 /nfs/dbraw/zinc/52/16/98/569521698.db2.gz OXPVIXCGINDCEZ-UHFFFAOYSA-N 0 1 430.052 2.526 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1C ZINC000009353059 569524892 /nfs/dbraw/zinc/52/48/92/569524892.db2.gz JXBRSKCVPUYDGX-LJQANCHMSA-N 0 1 443.475 2.697 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1C ZINC000009353059 569524893 /nfs/dbraw/zinc/52/48/93/569524893.db2.gz JXBRSKCVPUYDGX-LJQANCHMSA-N 0 1 443.475 2.697 50 30 IFEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Cl)cc1 ZINC000009424024 569532991 /nfs/dbraw/zinc/53/29/91/569532991.db2.gz FIDDSAUUYHELDM-GOSISDBHSA-N 0 1 446.843 2.835 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000009460794 569536975 /nfs/dbraw/zinc/53/69/75/569536975.db2.gz YFAZCKZYRQFIQT-YDJIHCHBSA-N 0 1 440.496 2.696 50 30 IFEAMN Cn1c2nc(NN=Cc3cccs3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000009464763 569537786 /nfs/dbraw/zinc/53/77/86/569537786.db2.gz LXMBIZNJQRGSFC-LSFURLLWSA-N 0 1 446.895 2.782 50 30 IFEAMN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000009492621 569540615 /nfs/dbraw/zinc/54/06/15/569540615.db2.gz VJVDUWLZYLVTQH-UHFFFAOYSA-N 0 1 437.543 2.788 50 30 IFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000009580456 569548774 /nfs/dbraw/zinc/54/87/74/569548774.db2.gz ZAZHEUGFCJDCFA-NCUQJHPUSA-N 0 1 441.534 2.781 50 30 IFEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccc(F)cc2)cc1 ZINC000013127481 520877427 /nfs/dbraw/zinc/87/74/27/520877427.db2.gz VKPFZNOZNKUKLT-FQEVSTJZSA-N 0 1 429.444 2.812 50 30 IFEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013127480 520877968 /nfs/dbraw/zinc/87/79/68/520877968.db2.gz VKPFZNOZNKUKLT-HXUWFJFHSA-N 0 1 429.444 2.812 50 30 IFEAMN COCC/N=C/c1cc(I)cc(I)c1O ZINC000013134645 522828735 /nfs/dbraw/zinc/82/87/35/522828735.db2.gz CJYRASXTYRIQKE-AWNIVKPZSA-N 0 1 431.011 2.667 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c(OC)c1 ZINC000102738652 523374961 /nfs/dbraw/zinc/37/49/61/523374961.db2.gz VMRGNRYFRNDSKL-MRJHHRETSA-N 0 1 440.496 2.696 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c(OC)c1 ZINC000013732506 523556971 /nfs/dbraw/zinc/55/69/71/523556971.db2.gz CJWYFOXWKUQCFP-NRFANRHFSA-N 0 1 440.496 2.852 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000013684442 524110658 /nfs/dbraw/zinc/11/06/58/524110658.db2.gz 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MXRAFKORRYKOIO-MOBKVPTQSA-N 0 1 436.508 2.758 50 30 IFEAMN COc1ccccc1[C@@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CCN(C)C ZINC000102535679 557345116 /nfs/dbraw/zinc/34/51/16/557345116.db2.gz NTLTXGJJQJDUSU-OBVHCKHUSA-N 0 1 448.523 2.943 50 30 IFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C ZINC000102518410 557351123 /nfs/dbraw/zinc/35/11/23/557351123.db2.gz KHVRBAZUTFQDEZ-ASBZNUFUSA-N 0 1 439.512 2.792 50 30 IFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(O)c1 ZINC000102706429 557366417 /nfs/dbraw/zinc/36/64/17/557366417.db2.gz CMPKKJACVUPIKR-QVRGASTFSA-N 0 1 447.896 2.654 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102719495 557375648 /nfs/dbraw/zinc/37/56/48/557375648.db2.gz DTGNHJPUJWDDIT-LFVOPCPISA-N 0 1 427.453 2.781 50 30 IFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000102744048 557377013 /nfs/dbraw/zinc/37/70/13/557377013.db2.gz IRACTMRYKLLXLV-YDJIHCHBSA-N 0 1 426.517 2.797 50 30 IFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102737511 557379815 /nfs/dbraw/zinc/37/98/15/557379815.db2.gz GFYVTANFSDEABA-NHFXJNLRSA-N 0 1 446.463 2.830 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1C ZINC000102861793 557402299 /nfs/dbraw/zinc/40/22/99/557402299.db2.gz YHZPTZNEVRUFTN-WENBPLFZSA-N 0 1 443.475 2.541 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1C ZINC000102861793 557402303 /nfs/dbraw/zinc/40/23/03/557402303.db2.gz YHZPTZNEVRUFTN-WENBPLFZSA-N 0 1 443.475 2.541 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)cc1 ZINC000102890665 557405546 /nfs/dbraw/zinc/40/55/46/557405546.db2.gz JFPJXEZZTYHSDB-YDJIHCHBSA-N 0 1 425.437 2.535 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c1C ZINC000102877882 557407014 /nfs/dbraw/zinc/40/70/14/557407014.db2.gz RMWFFUJFTTUDLS-WENBPLFZSA-N 0 1 443.475 2.541 50 30 IFEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102932291 557413071 /nfs/dbraw/zinc/41/30/71/557413071.db2.gz JOKLXNJHZWPNNE-LFVOPCPISA-N 0 1 444.484 2.597 50 30 IFEAMN C#CCN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000103017864 557416416 /nfs/dbraw/zinc/41/64/16/557416416.db2.gz HBVMINZDGDUTGE-FOYFLNMSSA-N 0 1 435.483 2.812 50 30 IFEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c1 ZINC000006530084 562947037 /nfs/dbraw/zinc/94/70/37/562947037.db2.gz XTGQJXOXPHRYHA-LJQANCHMSA-N 0 1 428.510 2.667 50 30 IFEAMN C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccc3OC)n2CC1 ZINC000014880639 568827462 /nfs/dbraw/zinc/82/74/62/568827462.db2.gz IMHOEVNXUNITMR-UHFFFAOYSA-N 0 1 447.539 2.840 50 30 IFEAMN C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000019743640 568855106 /nfs/dbraw/zinc/85/51/06/568855106.db2.gz NFSOLSWHCNWJDY-UHFFFAOYSA-N 0 1 449.530 2.899 50 30 IFEAMN C#CCN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000217657395 568883405 /nfs/dbraw/zinc/88/34/05/568883405.db2.gz HBVMINZDGDUTGE-PRCZNRJXSA-N 0 1 435.483 2.812 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(CCCC)C(=O)[C@@H]32)C1=O ZINC000248237542 568919151 /nfs/dbraw/zinc/91/91/51/568919151.db2.gz NCNIDYUNYSXZSI-UYCVCSCRSA-N 0 1 427.570 2.541 50 30 IFEAMN COc1ccc(S(=O)(=O)Oc2ccc(C)cc2C=NN=C2NC(=O)C(C)S2)cc1 ZINC000252628254 569203646 /nfs/dbraw/zinc/20/36/46/569203646.db2.gz SLVUBFKFXXTVPX-ZDUSSCGKSA-N 0 1 433.511 2.713 50 30 IFEAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3C#N)N3CCCCC3)ccc21 ZINC000013007936 569306465 /nfs/dbraw/zinc/30/64/65/569306465.db2.gz DGLLEWPFXXLCQV-HSZRJFAPSA-N 0 1 431.540 2.832 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(O)c1 ZINC000020171752 569354418 /nfs/dbraw/zinc/35/44/18/569354418.db2.gz KQQVMJXNBLSFTE-OAQYLSRUSA-N 0 1 440.471 2.832 50 30 IFEAMN O=C(C=Cc1ccco1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000020218888 569356806 /nfs/dbraw/zinc/35/68/06/569356806.db2.gz GDHSOYNKOGIRNA-BXKJMJEDSA-N 0 1 426.444 2.729 50 30 IFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F ZINC000020219243 569356821 /nfs/dbraw/zinc/35/68/21/569356821.db2.gz SDHVIGFJKFCTKZ-FQEVSTJZSA-N 0 1 426.444 2.737 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(CCCC)C(=O)[C@H]32)C1=O ZINC000230036396 569418207 /nfs/dbraw/zinc/41/82/07/569418207.db2.gz NCNIDYUNYSXZSI-NZQNYPKQSA-N 0 1 427.570 2.541 50 30 IFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009241384 569514680 /nfs/dbraw/zinc/51/46/80/569514680.db2.gz CFKWUALGCDTENH-INIZCTEOSA-N 0 1 430.486 2.808 50 30 IFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009487589 569539778 /nfs/dbraw/zinc/53/97/78/569539778.db2.gz NRQXCCORXAWBTA-UULIHBGTSA-N 0 1 437.852 2.874 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000009328207 569522844 /nfs/dbraw/zinc/52/28/44/569522844.db2.gz CLDGAGPETFKPJO-MRJHHRETSA-N 0 1 440.496 2.696 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009334100 569523172 /nfs/dbraw/zinc/52/31/72/569523172.db2.gz MGQVNTQGJIFEQO-OAQYLSRUSA-N 0 1 434.496 2.791 50 30 IFEAMN CC(=O)NCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009370573 569526855 /nfs/dbraw/zinc/52/68/55/569526855.db2.gz QYNUVQAZGPIIFS-SFHVURJKSA-N 0 1 443.843 2.963 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(O)c1 ZINC000009375052 569527200 /nfs/dbraw/zinc/52/72/00/569527200.db2.gz DSYUUQGXLGSBKQ-JBCNATCCSA-N 0 1 440.471 2.675 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)cc1 ZINC000009424358 569533105 /nfs/dbraw/zinc/53/31/05/569533105.db2.gz AHQRIEKJYPJPAA-HXUWFJFHSA-N 0 1 425.437 2.691 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1 ZINC000009460795 569536938 /nfs/dbraw/zinc/53/69/38/569536938.db2.gz YFAZCKZYRQFIQT-NHFXJNLRSA-N 0 1 440.496 2.696 50 30 IFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1 ZINC000009471115 569538890 /nfs/dbraw/zinc/53/88/90/569538890.db2.gz TUPMFZZNMHTJTM-HXUWFJFHSA-N 0 1 425.437 2.778 50 30 IFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000009580788 569548875 /nfs/dbraw/zinc/54/88/75/569548875.db2.gz FVYWXXREUUDIST-NOSOHGNZSA-N 0 1 437.852 2.874 50 30 IFEAMN CCOC(=O)C1C(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000009949335 569574276 /nfs/dbraw/zinc/57/42/76/569574276.db2.gz YKNIZTHJAILBJW-VFNWGFHPSA-N 0 1 449.463 2.740 50 30 IFEAMN CCc1nc(N2CCN(C(=O)CNCc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013609652 132351608 /nfs/dbraw/zinc/35/16/08/132351608.db2.gz AQQMZRFSMGSMMK-UHFFFAOYSA-N 0 1 447.583 2.805 50 30 IFEAMN C#CCOC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146884 518305485 /nfs/dbraw/zinc/30/54/85/518305485.db2.gz OXLXTDJXMUYALJ-JTHBVZDNSA-N 0 1 426.488 2.840 50 30 IFEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O ZINC000013656146 518838392 /nfs/dbraw/zinc/83/83/92/518838392.db2.gz ZMQSPDHLQTTXEL-MOSHPQCFSA-N 0 1 449.463 2.880 50 30 IFEAMN CCCCCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000048523127 520333721 /nfs/dbraw/zinc/33/37/21/520333721.db2.gz DBTJTCGBKVYHBF-JMIUGGIZSA-N 0 1 449.309 2.528 50 30 IFEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCOC)ccc1O ZINC000102932840 520771715 /nfs/dbraw/zinc/77/17/15/520771715.db2.gz PMUUGRCBEYAIGX-YDJIHCHBSA-N 0 1 427.453 2.868 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009370755 523554571 /nfs/dbraw/zinc/55/45/71/523554571.db2.gz CZOYDRVCRMANMK-HXUWFJFHSA-N 0 1 427.453 2.673 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013690941 523556856 /nfs/dbraw/zinc/55/68/56/523556856.db2.gz IXFAAUQDNJYZFS-FQEVSTJZSA-N 0 1 428.460 2.983 50 30 IFEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020503822 523718789 /nfs/dbraw/zinc/71/87/89/523718789.db2.gz LEPNUQHRSFBRGV-MTJSOVHGSA-N 0 1 427.453 2.832 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000009271342 524110768 /nfs/dbraw/zinc/11/07/68/524110768.db2.gz NWGAWUJYSCEKGS-QGZVFWFLSA-N 0 1 445.541 2.917 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000013548993 525221233 /nfs/dbraw/zinc/22/12/33/525221233.db2.gz PNWHZPOBWANDCQ-HXUWFJFHSA-N 0 1 428.460 2.983 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000012758934 525782120 /nfs/dbraw/zinc/78/21/20/525782120.db2.gz ACXPJDXPMVNWMO-LJQANCHMSA-N 0 1 425.441 2.743 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccncc1 ZINC000013127331 527176560 /nfs/dbraw/zinc/17/65/60/527176560.db2.gz ARRXHMFQZZQUKN-OAQYLSRUSA-N 0 1 442.479 2.903 50 30 IFEAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3C#N)N3CCCC3)ccc21 ZINC000009135545 536397245 /nfs/dbraw/zinc/39/72/45/536397245.db2.gz LDLOHFNKAUQRGC-QHCPKHFHSA-N 0 1 431.540 2.832 50 30 IFEAMN CCCCCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000006149705 556078324 /nfs/dbraw/zinc/07/83/24/556078324.db2.gz DBTJTCGBKVYHBF-KEBDBYFISA-N 0 1 449.309 2.528 50 30 IFEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008779813 556214650 /nfs/dbraw/zinc/21/46/50/556214650.db2.gz BOKJBBJIRQHZLL-QFIPXVFZSA-N 0 1 436.508 2.914 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000008817053 556218104 /nfs/dbraw/zinc/21/81/04/556218104.db2.gz WWWDBCUXHGFVRS-GOSISDBHSA-N 0 1 445.541 2.917 50 30 IFEAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC#N ZINC000009057112 556243216 /nfs/dbraw/zinc/24/32/16/556243216.db2.gz HDZAXVFPSLGCEJ-WJDWOHSUSA-N 0 1 425.441 2.958 50 30 IFEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccc(C)cc2)cc1 ZINC000009243610 556267064 /nfs/dbraw/zinc/26/70/64/556267064.db2.gz CEIWCEBCUAPZRE-NRFANRHFSA-N 0 1 425.481 2.981 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c(C)c1 ZINC000017138649 556669487 /nfs/dbraw/zinc/66/94/87/556669487.db2.gz SYTNHIJNDRDRIL-FQEVSTJZSA-N 0 1 442.537 2.976 50 30 IFEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1OC ZINC000013723877 556718959 /nfs/dbraw/zinc/71/89/59/556718959.db2.gz ALTZLRUIPBTYST-FQEVSTJZSA-N 0 1 428.460 2.983 50 30 IFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000013730104 556721475 /nfs/dbraw/zinc/72/14/75/556721475.db2.gz MZQXTGCTYQUPBG-HXUWFJFHSA-N 0 1 446.463 2.987 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCN(C)C ZINC000019861536 556933671 /nfs/dbraw/zinc/93/36/71/556933671.db2.gz PHLACLYELRURET-VWLOTQADSA-N 0 1 449.482 2.652 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019885412 556938162 /nfs/dbraw/zinc/93/81/62/556938162.db2.gz QJPRWFWMMFKTSR-LJQANCHMSA-N 0 1 425.441 2.743 50 30 IFEAMN COCCN=C1Nc2ccccc2CN[C@]12CCN(C(=O)c1cc(-c3ccccc3)[nH]n1)C2 ZINC000097096904 556984649 /nfs/dbraw/zinc/98/46/49/556984649.db2.gz RLWXZRVHXHZLKL-VWLOTQADSA-N 0 1 444.539 2.922 50 30 IFEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCN(C)C ZINC000020219246 556999658 /nfs/dbraw/zinc/99/96/58/556999658.db2.gz SJDFHSZTXHIGKO-OAQYLSRUSA-N 0 1 438.480 2.606 50 30 IFEAMN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(S(N)(=O)=O)cc1 ZINC000014129662 557308114 /nfs/dbraw/zinc/30/81/14/557308114.db2.gz ALJZTLJOXNNOOA-CHWSQXEVSA-N 0 1 432.571 2.681 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000102433047 557322598 /nfs/dbraw/zinc/32/25/98/557322598.db2.gz IOIOGHYDSBNBKB-MRJHHRETSA-N 0 1 440.496 2.701 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102484717 557331214 /nfs/dbraw/zinc/33/12/14/557331214.db2.gz FKWPYAYRJPBDOU-YDJIHCHBSA-N 0 1 427.453 2.517 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102532551 557343798 /nfs/dbraw/zinc/34/37/98/557343798.db2.gz WYAFGJSKXYHIAS-WOOAAIBNSA-N 0 1 426.425 2.980 50 30 IFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(O)c1 ZINC000102707623 557367155 /nfs/dbraw/zinc/36/71/55/557367155.db2.gz CMPKKJACVUPIKR-SASZOBLLSA-N 0 1 447.896 2.654 50 30 IFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000102727417 557370303 /nfs/dbraw/zinc/37/03/03/557370303.db2.gz MJEZRTVICQSSGL-NHFXJNLRSA-N 0 1 426.444 2.580 50 30 IFEAMN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102735460 557373149 /nfs/dbraw/zinc/37/31/49/557373149.db2.gz BGFQGEMVBXJTLQ-NHFXJNLRSA-N 0 1 440.496 2.696 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102735489 557373277 /nfs/dbraw/zinc/37/32/77/557373277.db2.gz RCIWYLSOEOZJQO-NHFXJNLRSA-N 0 1 428.460 2.826 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102735884 557373382 /nfs/dbraw/zinc/37/33/82/557373382.db2.gz KNYYOIVNTWGRKQ-YDJIHCHBSA-N 0 1 428.460 2.826 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102745241 557377635 /nfs/dbraw/zinc/37/76/35/557377635.db2.gz ZHOJHNIEVWNKJL-YDJIHCHBSA-N 0 1 428.460 2.826 50 30 IFEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000102804066 557386056 /nfs/dbraw/zinc/38/60/56/557386056.db2.gz MWFJSXVJTHNREQ-JBCNATCCSA-N 0 1 429.432 2.870 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102872656 557395890 /nfs/dbraw/zinc/39/58/90/557395890.db2.gz OJGSLBJCDNYCAQ-PGVNHDJNSA-N 0 1 448.523 2.943 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102876004 557397265 /nfs/dbraw/zinc/39/72/65/557397265.db2.gz ZKQNGPGKSCMTBH-YDJIHCHBSA-N 0 1 440.496 2.696 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000102864908 557404051 /nfs/dbraw/zinc/40/40/51/557404051.db2.gz WLBNDGDFHJLZME-YDJIHCHBSA-N 0 1 439.468 2.895 50 30 IFEAMN CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000102869595 557405044 /nfs/dbraw/zinc/40/50/44/557405044.db2.gz LCAJIXDJAVIILP-YDJIHCHBSA-N 0 1 440.452 2.588 50 30 IFEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Cl)cc1 ZINC000102895608 557406505 /nfs/dbraw/zinc/40/65/05/557406505.db2.gz KKVIRWWAXCRAKP-SELCWUDQSA-N 0 1 446.843 2.679 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000103880771 557442600 /nfs/dbraw/zinc/44/26/00/557442600.db2.gz RNRLSBKZCQPTKQ-YDJIHCHBSA-N 0 1 427.453 2.781 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020218894 563024108 /nfs/dbraw/zinc/02/41/08/563024108.db2.gz RFFCRMYNEHOUMX-HYGBKTPJSA-N 0 1 438.480 2.598 50 30 IFEAMN COc1ccc(-n2cc(O)c3c2nc(N)c2c(N)nc(N4CCCCC4)c(C#N)c32)cc1 ZINC000034886159 568738576 /nfs/dbraw/zinc/73/85/76/568738576.db2.gz XGGOTYRHWKLSPD-UHFFFAOYSA-N 0 1 429.484 2.999 50 30 IFEAMN COc1ccc(N2CC(=O)c3c2nc(N)c2c(N)nc(N4CCCCC4)c(C#N)c32)cc1 ZINC000034886159 568738577 /nfs/dbraw/zinc/73/85/77/568738577.db2.gz XGGOTYRHWKLSPD-UHFFFAOYSA-N 0 1 429.484 2.999 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000016731260 568792577 /nfs/dbraw/zinc/79/25/77/568792577.db2.gz DLSBAQFZQBJVEV-LJQANCHMSA-N 0 1 443.431 2.882 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(CCCC)C(=O)[C@@H]32)C1=O ZINC000217650944 568883370 /nfs/dbraw/zinc/88/33/70/568883370.db2.gz NCNIDYUNYSXZSI-WEGMGINNSA-N 0 1 427.570 2.541 50 30 IFEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc(Br)cc1 ZINC000006445686 568907687 /nfs/dbraw/zinc/90/76/87/568907687.db2.gz UMQDVRLUAVRRHQ-INIZCTEOSA-N 0 1 447.241 2.928 50 30 IFEAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3C#N)N3CCCCC3)ccc21 ZINC000013007937 569306454 /nfs/dbraw/zinc/30/64/54/569306454.db2.gz DGLLEWPFXXLCQV-QHCPKHFHSA-N 0 1 431.540 2.832 50 30 IFEAMN O=C(C=Cc1ccco1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000020218887 569356814 /nfs/dbraw/zinc/35/68/14/569356814.db2.gz GDHSOYNKOGIRNA-IRUYWQDXSA-N 0 1 426.444 2.729 50 30 IFEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008996882 569495915 /nfs/dbraw/zinc/49/59/15/569495915.db2.gz ORBHBZJOGFSICS-MOBKVPTQSA-N 0 1 436.508 2.839 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1 ZINC000009008514 569496393 /nfs/dbraw/zinc/49/63/93/569496393.db2.gz ZBNAPGJOVDVACU-NRFANRHFSA-N 0 1 440.471 2.745 50 30 IFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009186445 569510158 /nfs/dbraw/zinc/51/01/58/569510158.db2.gz CFKWUALGCDTENH-MRXNPFEDSA-N 0 1 430.486 2.808 50 30 IFEAMN CCOC(=O)C1C(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000009949340 569574283 /nfs/dbraw/zinc/57/42/83/569574283.db2.gz YKNIZTHJAILBJW-BTYIYWSLSA-N 0 1 449.463 2.740 50 30 IFEAMN CCOC(=O)C1C(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000009949331 569574300 /nfs/dbraw/zinc/57/43/00/569574300.db2.gz YKNIZTHJAILBJW-QVKFZJNVSA-N 0 1 449.463 2.740 50 30 IFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1 ZINC000102885596 518051959 /nfs/dbraw/zinc/05/19/59/518051959.db2.gz XNWWNUQYDSZYPQ-NHFXJNLRSA-N 0 1 425.437 2.622 50 30 IFEAMN C#CCOC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146881 518305353 /nfs/dbraw/zinc/30/53/53/518305353.db2.gz OXLXTDJXMUYALJ-GMAHTHKFSA-N 0 1 426.488 2.840 50 30 IFEAMN C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCN(C)CC1 ZINC000035991416 518841515 /nfs/dbraw/zinc/84/15/15/518841515.db2.gz VAVUWKBVAJLPRK-HXUWFJFHSA-N 0 1 432.952 2.657 50 30 IFEAMN CNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc(Br)c3)n[nH]2)c1 ZINC000012890793 522298370 /nfs/dbraw/zinc/29/83/70/522298370.db2.gz WZGOXFHWFDOBNU-UHFFFAOYSA-N 0 1 436.291 2.779 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102525894 523373422 /nfs/dbraw/zinc/37/34/22/523373422.db2.gz NPAVECWUSWWFIA-YDJIHCHBSA-N 0 1 439.468 2.895 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000009328205 525758881 /nfs/dbraw/zinc/75/88/81/525758881.db2.gz CLDGAGPETFKPJO-JBCNATCCSA-N 0 1 440.496 2.696 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000012758940 525783185 /nfs/dbraw/zinc/78/31/85/525783185.db2.gz ACXPJDXPMVNWMO-IBGZPJMESA-N 0 1 425.441 2.743 50 30 IFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC(C)C)c2)c(C)n1 ZINC000102742244 527218623 /nfs/dbraw/zinc/21/86/23/527218623.db2.gz TUMQDJZSBLVRGP-JBCNATCCSA-N 0 1 438.528 2.864 50 30 IFEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000006446128 556088633 /nfs/dbraw/zinc/08/86/33/556088633.db2.gz FSTNCBWXSVZBTQ-INIZCTEOSA-N 0 1 447.241 2.928 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000016737092 556633557 /nfs/dbraw/zinc/63/35/57/556633557.db2.gz QRBSFIPIDNYCCG-LJQANCHMSA-N 0 1 442.424 2.837 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000013721430 556717101 /nfs/dbraw/zinc/71/71/01/556717101.db2.gz ORKAGOLUDOZJAY-FQEVSTJZSA-N 0 1 428.460 2.983 50 30 IFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(OC(C)C)cc1 ZINC000013732317 556720823 /nfs/dbraw/zinc/72/08/23/556720823.db2.gz DLHOXEZHCFAAEH-FQEVSTJZSA-N 0 1 426.517 2.954 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000019333050 556737815 /nfs/dbraw/zinc/73/78/15/556737815.db2.gz JMZUVLUWMKSLRS-HXUWFJFHSA-N 0 1 428.435 2.875 50 30 IFEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000020029647 556968356 /nfs/dbraw/zinc/96/83/56/556968356.db2.gz 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2.983 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000020029183 556968145 /nfs/dbraw/zinc/96/81/45/556968145.db2.gz INNPULHEBQHBNL-FQEVSTJZSA-N 0 1 440.496 2.852 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102433547 557322512 /nfs/dbraw/zinc/32/25/12/557322512.db2.gz GXDOVMPTOGCAGX-MRJHHRETSA-N 0 1 440.471 2.588 50 30 IFEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102498660 557336725 /nfs/dbraw/zinc/33/67/25/557336725.db2.gz NOFGONQWBKSGAW-HOGKFDNTSA-N 0 1 436.508 2.758 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102532999 557343818 /nfs/dbraw/zinc/34/38/18/557343818.db2.gz MXRAFKORRYKOIO-HOGKFDNTSA-N 0 1 436.508 2.758 50 30 IFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102542208 557348309 /nfs/dbraw/zinc/34/83/09/557348309.db2.gz MBYHQFFFABPUDT-IBOXJLQUSA-N 0 1 430.486 2.651 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102510540 557349798 /nfs/dbraw/zinc/34/97/98/557349798.db2.gz UAHPLTZHDCMUCQ-YDJIHCHBSA-N 0 1 439.468 2.895 50 30 IFEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)cc(OC)c1OC ZINC000102707164 557367299 /nfs/dbraw/zinc/36/72/99/557367299.db2.gz ZVPUVFMYNMDRPY-SELCWUDQSA-N 0 1 447.871 2.780 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)c1C ZINC000102876348 557395594 /nfs/dbraw/zinc/39/55/94/557395594.db2.gz GWGAZGZZAIXAMD-QOJBNDRUSA-N 0 1 446.463 2.830 50 30 IFEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102858372 557399173 /nfs/dbraw/zinc/39/91/73/557399173.db2.gz MIODIZCPIQZKNQ-UYTDBDHRSA-N 0 1 447.241 2.771 50 30 IFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc(OC)c2)cc1 ZINC000102894099 557405807 /nfs/dbraw/zinc/40/58/07/557405807.db2.gz BLYGDCUBVWSYCQ-MRJHHRETSA-N 0 1 441.480 2.525 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102877347 557406718 /nfs/dbraw/zinc/40/67/18/557406718.db2.gz YFNPCRIJTXHIDO-LFVOPCPISA-N 0 1 426.425 2.980 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102935088 557413428 /nfs/dbraw/zinc/41/34/28/557413428.db2.gz DAUHZCHEWLDPLX-JBCNATCCSA-N 0 1 440.471 2.588 50 30 IFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000103873603 557442156 /nfs/dbraw/zinc/44/21/56/557442156.db2.gz AIWQQJMPGLBHSL-YDJIHCHBSA-N 0 1 427.453 2.868 50 30 IFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1C ZINC000004039825 562941266 /nfs/dbraw/zinc/94/12/66/562941266.db2.gz DCNVTVDGZBNHNZ-IBGZPJMESA-N 0 1 443.500 2.850 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C ZINC000009240467 562968441 /nfs/dbraw/zinc/96/84/41/562968441.db2.gz VOHDIEKXAIWLGG-KRWDZBQOSA-N 0 1 431.514 2.620 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020218891 563024120 /nfs/dbraw/zinc/02/41/20/563024120.db2.gz JVZDXVRMVIVYFQ-VQKOGROQSA-N 0 1 438.480 2.598 50 30 IFEAMN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCOC ZINC000102892782 568621777 /nfs/dbraw/zinc/62/17/77/568621777.db2.gz ZELCODJKSKUHNV-BOAGOGTPSA-N 0 1 438.480 2.957 50 30 IFEAMN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000025382122 568655590 /nfs/dbraw/zinc/65/55/90/568655590.db2.gz YYWIJTLYDFINLW-FQEVSTJZSA-N 0 1 445.610 2.863 50 30 IFEAMN C#CCOc1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC ZINC000032099567 568780558 /nfs/dbraw/zinc/78/05/58/568780558.db2.gz BEHFJFJCCYEFCN-YBEGLDIGSA-N 0 1 427.254 2.931 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(CCCC)C(=O)[C@H]32)C1=O ZINC000014943544 568827657 /nfs/dbraw/zinc/82/76/57/568827657.db2.gz NCNIDYUNYSXZSI-LDQAXMLRSA-N 0 1 427.570 2.541 50 30 IFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000014944823 568827900 /nfs/dbraw/zinc/82/79/00/568827900.db2.gz UWZWMUVFZUQWAW-YGWSKSRPSA-N 0 1 443.503 2.707 50 30 IFEAMN Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CCN(c4ccccc4)CC3)c2c1C#N ZINC000020029306 569332448 /nfs/dbraw/zinc/33/24/48/569332448.db2.gz LQBQUDVXHYCZOO-OAQYLSRUSA-N 0 1 441.535 2.617 50 30 IFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000020231381 569357070 /nfs/dbraw/zinc/35/70/70/569357070.db2.gz AGZMEWBPBJEBHB-FQEVSTJZSA-N 0 1 426.444 2.737 50 30 IFEAMN CC(=O)O[C@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H](C5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000096113552 569382522 /nfs/dbraw/zinc/38/25/22/569382522.db2.gz SHENECVDVUHQOP-TVQDMORBSA-N 0 1 443.540 2.792 50 30 IFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000008817610 569476900 /nfs/dbraw/zinc/47/69/00/569476900.db2.gz DMBDAPKBCVHERW-INIZCTEOSA-N 0 1 430.486 2.808 50 30 IFEAMN 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COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009186657 569510290 /nfs/dbraw/zinc/51/02/90/569510290.db2.gz UETWEOAEAUBJMO-NHFXJNLRSA-N 0 1 428.460 2.826 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(O)c1 ZINC000009375053 569527181 /nfs/dbraw/zinc/52/71/81/569527181.db2.gz DSYUUQGXLGSBKQ-MRJHHRETSA-N 0 1 440.471 2.675 50 30 IFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1 ZINC000009458068 569536783 /nfs/dbraw/zinc/53/67/83/569536783.db2.gz TUPMFZZNMHTJTM-FQEVSTJZSA-N 0 1 425.437 2.778 50 30 IFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009487591 569539801 /nfs/dbraw/zinc/53/98/01/569539801.db2.gz NRQXCCORXAWBTA-NOSOHGNZSA-N 0 1 437.852 2.874 50 30 IFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000009580479 569548833 /nfs/dbraw/zinc/54/88/33/569548833.db2.gz KQKCHKUQKBXKAB-FWRKBDRZSA-N 0 1 427.507 2.994 50 30 IFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009580640 569548842 /nfs/dbraw/zinc/54/88/42/569548842.db2.gz NRQXCCORXAWBTA-KEBPIHCLSA-N 0 1 437.852 2.874 50 30 IFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000009580791 569548887 /nfs/dbraw/zinc/54/88/87/569548887.db2.gz FVYWXXREUUDIST-KEBPIHCLSA-N 0 1 437.852 2.874 50 30 IFEAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3C#N)N3CCCC3)ccc21 ZINC000009135542 132306254 /nfs/dbraw/zinc/30/62/54/132306254.db2.gz LDLOHFNKAUQRGC-HSZRJFAPSA-N 0 1 431.540 2.832 50 30 IFEAMN C=CCN1C(=O)N[C@@H](c2ccccc2C)C(C(=O)OCC)=C1CN1CCN(CC)CC1 ZINC000035991300 518841245 /nfs/dbraw/zinc/84/12/45/518841245.db2.gz KWNMAPXXPGKVPB-QFIPXVFZSA-N 0 1 426.561 2.702 50 30 IFEAMN CC(=O)NCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101478603 519662797 /nfs/dbraw/zinc/66/27/97/519662797.db2.gz KEEKAIYUIMFDTM-GHNGSUTGSA-N 0 1 443.843 2.806 50 30 IFEAMN 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Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Br)c1 ZINC000102752481 557383147 /nfs/dbraw/zinc/38/31/47/557383147.db2.gz NQPYIXWKRGYBTQ-HVESIFNPSA-N 0 1 447.333 2.772 50 30 IFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102894101 557405825 /nfs/dbraw/zinc/40/58/25/557405825.db2.gz BLYGDCUBVWSYCQ-JBCNATCCSA-N 0 1 441.480 2.525 50 30 IFEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cnn1-c1ccccc1 ZINC000102877330 557406766 /nfs/dbraw/zinc/40/67/66/557406766.db2.gz CPPGGGBOAMAYOS-JBCNATCCSA-N 0 1 431.496 2.559 50 30 IFEAMN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102927529 557410365 /nfs/dbraw/zinc/41/03/65/557410365.db2.gz FQSWEQIHXWYNOB-PGVNHDJNSA-N 0 1 434.496 2.635 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103880775 557442638 /nfs/dbraw/zinc/44/26/38/557442638.db2.gz RNRLSBKZCQPTKQ-NHFXJNLRSA-N 0 1 427.453 2.781 50 30 IFEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1 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/nfs/dbraw/zinc/48/45/96/569484596.db2.gz YTDFTSCHDVKJNS-HXUWFJFHSA-N 0 1 439.512 2.948 50 30 IFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000008996507 569495783 /nfs/dbraw/zinc/49/57/83/569495783.db2.gz FBAWBFANRQWSDW-LFVOPCPISA-N 0 1 425.441 2.587 50 30 IFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009007819 569496240 /nfs/dbraw/zinc/49/62/40/569496240.db2.gz QTFHUOXFEWJEJW-SFHVURJKSA-N 0 1 445.541 2.917 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009066951 569499921 /nfs/dbraw/zinc/49/99/21/569499921.db2.gz QDYJSDZVYYHTEK-MRJHHRETSA-N 0 1 440.496 2.696 50 30 IFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009271385 569517746 /nfs/dbraw/zinc/51/77/46/569517746.db2.gz WIASMTXECIWFKV-KRWDZBQOSA-N 0 1 443.525 2.686 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c1C ZINC000009334170 569523174 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VVXPOWFURFVDQP-OAQYLSRUSA-N 0 1 427.545 2.791 50 30 IFEAMN C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1OC ZINC000020728463 518331261 /nfs/dbraw/zinc/33/12/61/518331261.db2.gz QYLCTSQPCFCGKD-CQSZACIVSA-N 0 1 429.440 2.991 50 30 IFEAMN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C)CC1 ZINC000035991753 518838129 /nfs/dbraw/zinc/83/81/29/518838129.db2.gz BHHDCRAMNIADOT-FQEVSTJZSA-N 0 1 432.952 2.657 50 30 IFEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1OC ZINC000102738683 524296125 /nfs/dbraw/zinc/29/61/25/524296125.db2.gz VZWMBZYXQJUWFQ-NHFXJNLRSA-N 0 1 428.460 2.826 50 30 IFEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=C3C(=O)CC(C)(C)CC3=O)cc2)n1 ZINC000000672230 555532009 /nfs/dbraw/zinc/53/20/09/555532009.db2.gz BREZAQZRPGFTCW-UHFFFAOYSA-N 0 1 429.502 2.620 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000008738410 556205009 /nfs/dbraw/zinc/20/50/09/556205009.db2.gz FHWAVXZREVXMDN-HXUWFJFHSA-N 0 1 427.453 2.937 50 30 IFEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000008837497 556226074 /nfs/dbraw/zinc/22/60/74/556226074.db2.gz VXOYTDJTKIPFPF-QFIPXVFZSA-N 0 1 449.507 2.557 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000009370471 556286175 /nfs/dbraw/zinc/28/61/75/556286175.db2.gz OLOWPCQQIOWHFM-QFIPXVFZSA-N 0 1 436.508 2.996 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)c1 ZINC000013721769 556717385 /nfs/dbraw/zinc/71/73/85/556717385.db2.gz XYXANWOWWGOAPF-HXUWFJFHSA-N 0 1 428.460 2.983 50 30 IFEAMN COc1ccc(F)cc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 ZINC000013727242 556718635 /nfs/dbraw/zinc/71/86/35/556718635.db2.gz HFBRJSJYCCEECT-NRFANRHFSA-N 0 1 440.471 2.745 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cc1F ZINC000013726157 556719332 /nfs/dbraw/zinc/71/93/32/556719332.db2.gz RNENADPGJJAQSR-LJQANCHMSA-N 0 1 446.500 2.806 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c(OC)c1 ZINC000013731413 556720905 /nfs/dbraw/zinc/72/09/05/556720905.db2.gz JSSHRIOZKVLJIH-FQEVSTJZSA-N 0 1 428.460 2.983 50 30 IFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000013729729 556721519 /nfs/dbraw/zinc/72/15/19/556721519.db2.gz PIOZJQMMWIBFOC-OAQYLSRUSA-N 0 1 440.544 2.964 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000013734413 556722424 /nfs/dbraw/zinc/72/24/24/556722424.db2.gz VWQLEGLQVPWRRK-HXUWFJFHSA-N 0 1 428.460 2.983 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000019956933 556954979 /nfs/dbraw/zinc/95/49/79/556954979.db2.gz IWAGJXWGWFCJOC-LJQANCHMSA-N 0 1 428.460 2.983 50 30 IFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1 ZINC000020079577 556978613 /nfs/dbraw/zinc/97/86/13/556978613.db2.gz NAIYQJQKOIZVKR-HXUWFJFHSA-N 0 1 442.899 2.956 50 30 IFEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCN(C)C ZINC000020219245 556999496 /nfs/dbraw/zinc/99/94/96/556999496.db2.gz SJDFHSZTXHIGKO-NRFANRHFSA-N 0 1 438.480 2.606 50 30 IFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 ZINC000020228207 557001365 /nfs/dbraw/zinc/00/13/65/557001365.db2.gz VMXLGDKPULMNMP-FQEVSTJZSA-N 0 1 426.444 2.737 50 30 IFEAMN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(S(N)(=O)=O)cc1 ZINC000014129661 557308198 /nfs/dbraw/zinc/30/81/98/557308198.db2.gz ALJZTLJOXNNOOA-STQMWFEESA-N 0 1 432.571 2.681 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000102438563 557322906 /nfs/dbraw/zinc/32/29/06/557322906.db2.gz BOKRSOQLMLCJBU-MOBKVPTQSA-N 0 1 436.508 2.839 50 30 IFEAMN CCOC(=O)C1C(COc2ccc(C#N)cc2OC)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000014249396 557330165 /nfs/dbraw/zinc/33/01/65/557330165.db2.gz RQORYPBJMXNNLY-NRFANRHFSA-N 0 1 437.452 2.826 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccncc1 ZINC000102495399 557335624 /nfs/dbraw/zinc/33/56/24/557335624.db2.gz 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O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102858369 557399207 /nfs/dbraw/zinc/39/92/07/557399207.db2.gz MIODIZCPIQZKNQ-IBOXJLQUSA-N 0 1 447.241 2.771 50 30 IFEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102929427 557410831 /nfs/dbraw/zinc/41/08/31/557410831.db2.gz LHSQAEPYOGJIOF-IBOXJLQUSA-N 0 1 447.241 2.771 50 30 IFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000104210287 557453453 /nfs/dbraw/zinc/45/34/53/557453453.db2.gz NFXUQNFKGKWLBG-YDJIHCHBSA-N 0 1 428.460 2.826 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102883038 568621796 /nfs/dbraw/zinc/62/17/96/568621796.db2.gz JJSFATASBRUFCQ-WOOAAIBNSA-N 0 1 426.425 2.980 50 30 IFEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C1=O ZINC000033545145 568866621 /nfs/dbraw/zinc/86/66/21/568866621.db2.gz ABZUWVHBMIXIBM-PDGQHHTCSA-N 0 1 449.463 2.669 50 30 IFEAMN 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ZINC000004042201 555955275 /nfs/dbraw/zinc/95/52/75/555955275.db2.gz YLYAJUZWERFFBP-OAQYLSRUSA-N 0 1 431.496 2.716 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009334137 556283068 /nfs/dbraw/zinc/28/30/68/556283068.db2.gz UAOHXBOSFHVUFC-FQEVSTJZSA-N 0 1 427.453 2.943 50 30 IFEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)cc(OC)c1OC ZINC000009410802 556288535 /nfs/dbraw/zinc/28/85/35/556288535.db2.gz MAIXGRXBRMYNCH-SFHVURJKSA-N 0 1 447.871 2.936 50 30 IFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc(OC)c2)cc1 ZINC000009425084 556289858 /nfs/dbraw/zinc/28/98/58/556289858.db2.gz HDIDUBIKWYITRQ-NRFANRHFSA-N 0 1 441.480 2.681 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000016732030 556631608 /nfs/dbraw/zinc/63/16/08/556631608.db2.gz QQQZOBGSVUUNAT-SFHVURJKSA-N 0 1 430.388 2.967 50 30 IFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(F)c2)cc1 ZINC000011913822 556672532 /nfs/dbraw/zinc/67/25/32/556672532.db2.gz CQEBZHOCTPGBKP-HKUYNNGSSA-N 0 1 429.469 2.900 50 30 IFEAMN N#Cc1cccc(COc2cccc(NC(=O)CNC(=O)c3ccc4[nH]nnc4c3)c2)c1 ZINC000072314253 556696724 /nfs/dbraw/zinc/69/67/24/556696724.db2.gz RIFSFEGWOALZJD-UHFFFAOYSA-N 0 1 426.436 2.777 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000013729070 556721224 /nfs/dbraw/zinc/72/12/24/556721224.db2.gz FIZPWLNBMHOGJF-NRFANRHFSA-N 0 1 440.496 2.852 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020057389 556974996 /nfs/dbraw/zinc/97/49/96/556974996.db2.gz WJFAHCGEFXIFKR-OAQYLSRUSA-N 0 1 440.471 2.745 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000020218969 556999621 /nfs/dbraw/zinc/99/96/21/556999621.db2.gz VQVYBSXLXLIVAH-RAHUZWEBSA-N 0 1 426.469 2.836 50 30 IFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102488269 557331678 /nfs/dbraw/zinc/33/16/78/557331678.db2.gz 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IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cc1F ZINC000102743617 557376785 /nfs/dbraw/zinc/37/67/85/557376785.db2.gz RMXCGHSOMLNOQZ-LFVOPCPISA-N 0 1 446.500 2.650 50 30 IFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(OC(C)C)c1 ZINC000102744044 557377128 /nfs/dbraw/zinc/37/71/28/557377128.db2.gz IRACTMRYKLLXLV-NHFXJNLRSA-N 0 1 426.517 2.797 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c(OC)c1 ZINC000102745276 557377721 /nfs/dbraw/zinc/37/77/21/557377721.db2.gz SFYLHMDHHBMCRV-YDJIHCHBSA-N 0 1 428.460 2.826 50 30 IFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000102737269 557379483 /nfs/dbraw/zinc/37/94/83/557379483.db2.gz YJEMUYKNQZPHEA-JBCNATCCSA-N 0 1 440.544 2.807 50 30 IFEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c1 ZINC000102884413 557408988 /nfs/dbraw/zinc/40/89/88/557408988.db2.gz WECVGJBDRCMEMY-MRJHHRETSA-N 0 1 439.464 2.925 50 30 IFEAMN 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COc1cccc([C@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020218889 563024148 /nfs/dbraw/zinc/02/41/48/563024148.db2.gz JVZDXVRMVIVYFQ-DORXLWPQSA-N 0 1 438.480 2.598 50 30 IFEAMN COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccco3)cc2)nc(OC)n1 ZINC000211002675 568644392 /nfs/dbraw/zinc/64/43/92/568644392.db2.gz ROAJNWAHPAFSRX-KTKRTIGZSA-N 0 1 430.442 2.696 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1C ZINC000006812745 569000606 /nfs/dbraw/zinc/00/06/06/569000606.db2.gz GAZLKTMKSPVKQW-LJQANCHMSA-N 0 1 425.485 2.558 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1C ZINC000006812745 569000608 /nfs/dbraw/zinc/00/06/08/569000608.db2.gz GAZLKTMKSPVKQW-LJQANCHMSA-N 0 1 425.485 2.558 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C ZINC000006812744 569000627 /nfs/dbraw/zinc/00/06/27/569000627.db2.gz GAZLKTMKSPVKQW-IBGZPJMESA-N 0 1 425.485 2.558 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C ZINC000006812744 569000629 /nfs/dbraw/zinc/00/06/29/569000629.db2.gz GAZLKTMKSPVKQW-IBGZPJMESA-N 0 1 425.485 2.558 50 30 IFEAMN Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CCN(c4ccccc4)CC3)c2c1C#N ZINC000020029304 569332450 /nfs/dbraw/zinc/33/24/50/569332450.db2.gz LQBQUDVXHYCZOO-NRFANRHFSA-N 0 1 441.535 2.617 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000020190400 569355670 /nfs/dbraw/zinc/35/56/70/569355670.db2.gz AHSIGFCQMCWQGT-NRFANRHFSA-N 0 1 440.471 2.832 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000020307998 569359445 /nfs/dbraw/zinc/35/94/45/569359445.db2.gz VSNOZGALKHYERD-NRFANRHFSA-N 0 1 440.496 2.852 50 30 IFEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000008694951 569470172 /nfs/dbraw/zinc/47/01/72/569470172.db2.gz DILPKGUQBXKISU-HXUWFJFHSA-N 0 1 442.899 2.956 50 30 IFEAMN 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102488278 557331717 /nfs/dbraw/zinc/33/17/17/557331717.db2.gz YTSRJTWZZUHVPC-YDJIHCHBSA-N 0 1 427.453 2.868 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000102543022 557348361 /nfs/dbraw/zinc/34/83/61/557348361.db2.gz BBYZTMUNTLJABO-NHFXJNLRSA-N 0 1 439.468 2.895 50 30 IFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000102543029 557348466 /nfs/dbraw/zinc/34/84/66/557348466.db2.gz BBYZTMUNTLJABO-YDJIHCHBSA-N 0 1 439.468 2.895 50 30 IFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102512492 557350277 /nfs/dbraw/zinc/35/02/77/557350277.db2.gz REGFQRGYKZYISQ-UYTDBDHRSA-N 0 1 430.486 2.651 50 30 IFEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000102515594 557350540 /nfs/dbraw/zinc/35/05/40/557350540.db2.gz NIXKYQCHOQVAFA-MRJHHRETSA-N 0 1 431.496 2.559 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c1C ZINC000102528909 557354335 /nfs/dbraw/zinc/35/43/35/557354335.db2.gz BKFVZTVMMCPPNB-WENBPLFZSA-N 0 1 443.475 2.541 50 30 IFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(O)c1 ZINC000102707627 557367135 /nfs/dbraw/zinc/36/71/35/557367135.db2.gz CMPKKJACVUPIKR-ASBLKLPYSA-N 0 1 447.896 2.654 50 30 IFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1 ZINC000102718743 557375251 /nfs/dbraw/zinc/37/52/51/557375251.db2.gz QYXJXJPYWLPRFV-YDJIHCHBSA-N 0 1 426.444 2.580 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102719499 557375685 /nfs/dbraw/zinc/37/56/85/557375685.db2.gz DTGNHJPUJWDDIT-WOOAAIBNSA-N 0 1 427.453 2.781 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1F ZINC000102743614 557376736 /nfs/dbraw/zinc/37/67/36/557376736.db2.gz RMXCGHSOMLNOQZ-WOOAAIBNSA-N 0 1 446.500 2.650 50 30 IFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102746337 557378426 /nfs/dbraw/zinc/37/84/26/557378426.db2.gz YWVSTSAWISUWDQ-JBCNATCCSA-N 0 1 447.491 2.938 50 30 IFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000102750518 557382864 /nfs/dbraw/zinc/38/28/64/557382864.db2.gz LEBKCDZRUDQKRS-MRJHHRETSA-N 0 1 440.471 2.588 50 30 IFEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000102804069 557385997 /nfs/dbraw/zinc/38/59/97/557385997.db2.gz MWFJSXVJTHNREQ-MRJHHRETSA-N 0 1 429.432 2.870 50 30 IFEAMN CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000102869599 557405085 /nfs/dbraw/zinc/40/50/85/557405085.db2.gz LCAJIXDJAVIILP-NHFXJNLRSA-N 0 1 440.452 2.588 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)cc1 ZINC000102890670 557405497 /nfs/dbraw/zinc/40/54/97/557405497.db2.gz JFPJXEZZTYHSDB-NHFXJNLRSA-N 0 1 425.437 2.535 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102876862 557406379 /nfs/dbraw/zinc/40/63/79/557406379.db2.gz LCTBXBZCYRJTMU-MRJHHRETSA-N 0 1 440.496 2.696 50 30 IFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102883040 557408794 /nfs/dbraw/zinc/40/87/94/557408794.db2.gz JJSFATASBRUFCQ-LFVOPCPISA-N 0 1 426.425 2.980 50 30 IFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102931350 557412677 /nfs/dbraw/zinc/41/26/77/557412677.db2.gz BCCVOQYGVCSTBJ-GROYHEBESA-N 0 1 443.525 2.530 50 30 IFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1C ZINC000004038774 562941193 /nfs/dbraw/zinc/94/11/93/562941193.db2.gz HISKNWJJBDLBMH-GOSISDBHSA-N 0 1 429.473 2.541 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccncc1 ZINC000006498883 562946954 /nfs/dbraw/zinc/94/69/54/562946954.db2.gz ARRXHMFQZZQUKN-NRFANRHFSA-N 0 1 442.479 2.903 50 30 IFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020219743 563024113 /nfs/dbraw/zinc/02/41/13/563024113.db2.gz QSTWZVHIJRHFNG-OAQYLSRUSA-N 0 1 438.480 2.606 50 30 IFEAMN COc1ccc([C@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020218892 563024139 /nfs/dbraw/zinc/02/41/39/563024139.db2.gz RFFCRMYNEHOUMX-UVIRAJKCSA-N 0 1 438.480 2.598 50 30 IFEAMN CCCCCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000253531894 569283967 /nfs/dbraw/zinc/28/39/67/569283967.db2.gz DBTJTCGBKVYHBF-UHFFFAOYSA-N 0 1 449.309 2.940 50 30 IFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(O)c1 ZINC000020171754 569354430 /nfs/dbraw/zinc/35/44/30/569354430.db2.gz KQQVMJXNBLSFTE-NRFANRHFSA-N 0 1 440.471 2.832 50 30 IFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000020231383 569357031 /nfs/dbraw/zinc/35/70/31/569357031.db2.gz AGZMEWBPBJEBHB-HXUWFJFHSA-N 0 1 426.444 2.737 50 30 IFEAMN N#Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 ZINC000096122409 569385245 /nfs/dbraw/zinc/38/52/45/569385245.db2.gz FNHQBDKIPQYVEA-UHFFFAOYSA-N 0 1 432.571 2.711 50 30 IFEAMN C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(CC)CC1 ZINC000096279738 569389491 /nfs/dbraw/zinc/38/94/91/569389491.db2.gz QVLLHTRRYQVMTC-OAQYLSRUSA-N 0 1 430.524 2.533 50 30 IFEAMN COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccco3)cc2)nc(OC)n1 ZINC000096576579 569401428 /nfs/dbraw/zinc/40/14/28/569401428.db2.gz ROAJNWAHPAFSRX-MDZDMXLPSA-N 0 1 430.442 2.696 50 30 IFEAMN COc1ccc(CNC(=O)[C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000058512695 569455694 /nfs/dbraw/zinc/45/56/94/569455694.db2.gz HHTDJJYZPPHXFG-IBGZPJMESA-N 0 1 436.556 2.788 50 30 IFEAMN C#CCOc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c1 ZINC000031807505 569457598 /nfs/dbraw/zinc/45/75/98/569457598.db2.gz LNPALUHALOTUGM-GOSISDBHSA-N 0 1 431.481 2.634 50 30 IFEAMN C=CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)ccc1OC ZINC000031809287 569457723 /nfs/dbraw/zinc/45/77/23/569457723.db2.gz KQTQFZWKIRRJJU-AWEZNQCLSA-N 0 1 431.456 2.895 50 30 IFEAMN Oc1ccc(Br)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1 ZINC000004113508 569459556 /nfs/dbraw/zinc/45/95/56/569459556.db2.gz PLGBBPJHUHNBSR-UDWIEESQSA-N 0 1 432.326 2.986 50 30 IFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008818030 569476977 /nfs/dbraw/zinc/47/69/77/569476977.db2.gz XJKKCVJVMCEOED-HSZRJFAPSA-N 0 1 449.551 2.972 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000008826924 569477629 /nfs/dbraw/zinc/47/76/29/569477629.db2.gz ZPZIAOXTNLWMNN-JOCHJYFZSA-N 0 1 446.507 2.553 50 30 IFEAMN CCN1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008871165 569480738 /nfs/dbraw/zinc/48/07/38/569480738.db2.gz QULNJCVSEDSANK-FQEVSTJZSA-N 0 1 439.516 2.949 50 30 IFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008921961 569486872 /nfs/dbraw/zinc/48/68/72/569486872.db2.gz ILQHVXQKHGKIQS-HXUWFJFHSA-N 0 1 449.467 2.691 50 30 IFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)c1C ZINC000009123038 569504190 /nfs/dbraw/zinc/50/41/90/569504190.db2.gz GXEJKGRQRAXWDU-FQEVSTJZSA-N 0 1 446.463 2.987 50 30 IFEAMN Cn1c2nc(NN=Cc3cccs3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000009190677 569510571 /nfs/dbraw/zinc/51/05/71/569510571.db2.gz CBVODOWHWRZXAD-UFFVCSGVSA-N 0 1 428.905 2.643 50 30 IFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccncc1 ZINC000009409694 569531118 /nfs/dbraw/zinc/53/11/18/569531118.db2.gz QCFOVWZVEYEZFG-WBVHZDCISA-N 0 1 432.885 2.500 50 30 IFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000009451673 569536475 /nfs/dbraw/zinc/53/64/75/569536475.db2.gz ZAZHEUGFCJDCFA-NPWLIUPYSA-N 0 1 441.534 2.781 50 30 IFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000009452478 569536499 /nfs/dbraw/zinc/53/64/99/569536499.db2.gz KQKCHKUQKBXKAB-IOGQSSPCSA-N 0 1 427.507 2.994 50 30 IFEAMN C=CCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(OC)c(OC)c3)N(c3ccccc3)N2)C1=O ZINC000009488242 569539883 /nfs/dbraw/zinc/53/98/83/569539883.db2.gz LMWVMYFKPSBHDE-QUWSGOTNSA-N 0 1 448.479 2.678 50 30 IFEAMN