smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 ZINC000001482734 561675741 /nfs/dbraw/zinc/67/57/41/561675741.db2.gz VQAVBHLGXVZOKM-ATEJDMMGSA-N 0 0 510.704 3.573 1 0 KHAFRN COC(=O)NC(=O)C[C@@H]1c2cc(F)ccc2C(=O)N(Cc2nc3cc(C(F)(F)F)ccc3s2)C1=O ZINC000001483039 561675798 /nfs/dbraw/zinc/67/57/98/561675798.db2.gz PMSLFEONEVCHNT-CQSZACIVSA-N 0 0 509.437 3.993 1 0 KHAFRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486491 561675921 /nfs/dbraw/zinc/67/59/21/561675921.db2.gz BCIRMEUQBLKOEQ-VOIUYBSRSA-N 0 0 500.937 3.719 1 0 KHAFRN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000001490515 561676255 /nfs/dbraw/zinc/67/62/55/561676255.db2.gz YFKQDXLMNXUUCE-IZZNHLLZSA-N 0 0 511.626 3.525 1 0 KHAFRN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000001490516 561676229 /nfs/dbraw/zinc/67/62/29/561676229.db2.gz YMGUIYGNPNHCSA-IZZNHLLZSA-N 0 0 513.617 3.958 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)nc2c(=O)n(CCC)c1=O ZINC000001490518 561676288 /nfs/dbraw/zinc/67/62/88/561676288.db2.gz SZTYGIVWLSLJRO-UHFFFAOYSA-N 0 0 503.559 3.593 1 0 KHAFRN CCCn1c2cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000001491198 561676233 /nfs/dbraw/zinc/67/62/33/561676233.db2.gz QGKDRDIIMCNPMP-UHFFFAOYSA-N 0 0 500.599 3.942 1 0 KHAFRN NC(=O)c1nn(-c2cccc(-c3n[nH]c(=O)[n-]3)c2)c2c1CCN(c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1)C2=O ZINC000001494457 561676557 /nfs/dbraw/zinc/67/65/57/561676557.db2.gz BDKLFZCQLLSCKU-UHFFFAOYSA-N 0 0 574.645 3.515 1 0 KHAFRN CN1c2ccccc2C(c2ccc(C(N)=O)cc2)=N[C@@H](NC(=O)CCc2cccc(Cl)c2Cl)C1=O ZINC000001494837 561676605 /nfs/dbraw/zinc/67/66/05/561676605.db2.gz GPVUAXRCPLBPOE-RUZDIDTESA-N 0 0 509.393 3.981 1 0 KHAFRN CN1c2ccccc2C(c2ccc(C(N)=O)cc2)=N[C@@H](NC(=O)CCc2cc(Cl)cc(Cl)c2)C1=O ZINC000001494838 561676623 /nfs/dbraw/zinc/67/66/23/561676623.db2.gz VAPCARTYFYJTPW-RUZDIDTESA-N 0 0 509.393 3.981 1 0 KHAFRN CN1c2ccccc2C(c2ccc(C(N)=O)cc2)=N[C@@H](NC(=O)CCc2cc(Cl)ccc2Cl)C1=O ZINC000001494839 561676652 /nfs/dbraw/zinc/67/66/52/561676652.db2.gz VZCAXGVVTWOWOM-RUZDIDTESA-N 0 0 509.393 3.981 1 0 KHAFRN C[C@@H](n1cnc2cc(-c3ccc(S(C)(=O)=O)cc3)sc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001545181 561677202 /nfs/dbraw/zinc/67/72/02/561677202.db2.gz NNNPFIIPSHWMIR-SGANQWHYSA-N 0 0 557.604 3.547 1 0 KHAFRN COc1cc(C[C@@H]2C(=O)OC[C@@H]2[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)c(Br)c(OC)c1OC ZINC000001630762 561677920 /nfs/dbraw/zinc/67/79/20/561677920.db2.gz CBTVCGYSYFVYRN-QYWGDWMGSA-N 0 0 537.359 3.840 1 0 KHAFRN COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)c(Br)c(OC)c1OC ZINC000001630763 561677935 /nfs/dbraw/zinc/67/79/35/561677935.db2.gz CBTVCGYSYFVYRN-XFQAVAEZSA-N 0 0 537.359 3.840 1 0 KHAFRN Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1NC(=O)CNc1ccc(Cl)cc1 ZINC000001651073 561678510 /nfs/dbraw/zinc/67/85/10/561678510.db2.gz YXAIXYSXEQHINM-UHFFFAOYSA-N 0 0 532.409 3.995 1 0 KHAFRN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)N(c2ccccc2)c2ccccc2)c(Cl)c1Cl ZINC000001655058 561678732 /nfs/dbraw/zinc/67/87/32/561678732.db2.gz GHHTWAQXOJERPY-UHFFFAOYSA-N 0 0 515.400 3.658 1 0 KHAFRN Cc1cc(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)OCCCO2)c(C)c1 ZINC000001656749 561678839 /nfs/dbraw/zinc/67/88/39/561678839.db2.gz IJDFHHUKCZWKGH-UHFFFAOYSA-N 0 0 510.678 3.876 1 0 KHAFRN COc1ccc(Oc2cnn(C(Br)(Br)C(C)=O)c(=O)c2Br)cc1 ZINC000001658220 561678956 /nfs/dbraw/zinc/67/89/56/561678956.db2.gz JUBVGAJBDTUOTF-UHFFFAOYSA-N 0 0 510.964 3.796 1 0 KHAFRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1Nc2ccncc2S(=O)(=O)N1c1cccc(OC(C)C)c1 ZINC000001658711 561678947 /nfs/dbraw/zinc/67/89/47/561678947.db2.gz XAWCDKPXEJBXGH-XMMPIXPASA-N 0 0 533.610 3.920 1 0 KHAFRN COc1cc(C(N)=O)cc(NC(=O)c2cc(NC(=O)/C=C/c3ccccc3)c(OC)c(OC)c2)c1OC ZINC000001662006 561679160 /nfs/dbraw/zinc/67/91/60/561679160.db2.gz BEZPODAEPWMKDG-ZHACJKMWSA-N 0 0 505.527 3.724 1 0 KHAFRN Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN(C)C)c3Cl)cccn2c1Br ZINC000001886829 561679962 /nfs/dbraw/zinc/67/99/62/561679962.db2.gz YLNASYHTPOFYSX-UHFFFAOYSA-N 0 0 557.276 3.932 1 0 KHAFRN CCCCS(=O)(=O)Nc1cccc(-c2nnc(=O)n3c(Br)c(Br)[nH]c23)c1 ZINC000001893689 561680124 /nfs/dbraw/zinc/68/01/24/561680124.db2.gz CAXQFRKUUBOXBI-UHFFFAOYSA-N 0 0 505.192 3.564 1 0 KHAFRN O=C(CCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1I ZINC000002559957 561681075 /nfs/dbraw/zinc/68/10/75/561681075.db2.gz WNZBTQBAZJTZST-UHFFFAOYSA-N 0 0 521.374 3.822 1 0 KHAFRN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724805 561681049 /nfs/dbraw/zinc/68/10/49/561681049.db2.gz ZQNZPHRCNMWYMS-VWLOTQADSA-N 0 0 511.550 3.933 1 0 KHAFRN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002724806 561680993 /nfs/dbraw/zinc/68/09/93/561680993.db2.gz ZQNZPHRCNMWYMS-RUZDIDTESA-N 0 0 511.550 3.933 1 0 KHAFRN CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)c21 ZINC000002927944 561681200 /nfs/dbraw/zinc/68/12/00/561681200.db2.gz GEAANJLTCDWEFN-UHFFFAOYSA-N 0 0 550.475 3.796 1 0 KHAFRN CCOc1ccc(CCNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1OCC ZINC000002928130 561681166 /nfs/dbraw/zinc/68/11/66/561681166.db2.gz BTFNHIPYKIYJKO-UHFFFAOYSA-N 0 0 511.438 3.677 1 0 KHAFRN CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCc3ccc(C)cc3)c21 ZINC000002928169 561681216 /nfs/dbraw/zinc/68/12/16/561681216.db2.gz GYGQYMMKMABEEX-UHFFFAOYSA-N 0 0 507.450 3.579 1 0 KHAFRN CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCc3cccc(C)c3)c21 ZINC000002928171 561681160 /nfs/dbraw/zinc/68/11/60/561681160.db2.gz RRXTWUDYTBVVBX-UHFFFAOYSA-N 0 0 507.450 3.579 1 0 KHAFRN COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21 ZINC000002968161 561681288 /nfs/dbraw/zinc/68/12/88/561681288.db2.gz XPTRZRQJXKPFBT-QFIPXVFZSA-N 0 0 527.606 3.732 1 0 KHAFRN COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21 ZINC000002968163 561681269 /nfs/dbraw/zinc/68/12/69/561681269.db2.gz XPTRZRQJXKPFBT-JOCHJYFZSA-N 0 0 527.606 3.732 1 0 KHAFRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003168329 561681609 /nfs/dbraw/zinc/68/16/09/561681609.db2.gz CBNRUPJALRENIF-UHFFFAOYSA-N 0 0 506.559 3.952 1 0 KHAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1c(OC(F)(F)F)ccc2Br ZINC000003591425 561682102 /nfs/dbraw/zinc/68/21/02/561682102.db2.gz AAQNOENKTHJXFV-UHFFFAOYSA-N 0 0 524.293 3.996 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](C(Cl)(Cl)Cl)O3)O2)c(=O)[nH]c1=O ZINC000003641411 561682265 /nfs/dbraw/zinc/68/22/65/561682265.db2.gz MEEHEKJQPQGIBQ-NQOWUHRUSA-N 0 0 509.666 3.944 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@@H](C(Cl)(Cl)Cl)O3)O2)c(=O)[nH]c1=O ZINC000003641413 561682251 /nfs/dbraw/zinc/68/22/51/561682251.db2.gz MEEHEKJQPQGIBQ-ULBAKLICSA-N 0 0 509.666 3.944 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@H](C(Cl)(Cl)Cl)O3)O2)c(=O)[nH]c1=O ZINC000003641414 561682287 /nfs/dbraw/zinc/68/22/87/561682287.db2.gz MEEHEKJQPQGIBQ-SCOCBRCNSA-N 0 0 509.666 3.944 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@H](C(Cl)(Cl)Cl)O3)O2)c(=O)[nH]c1=O ZINC000003641417 561682224 /nfs/dbraw/zinc/68/22/24/561682224.db2.gz MEEHEKJQPQGIBQ-ARSDNISSSA-N 0 0 509.666 3.944 1 0 KHAFRN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c32)CC1 ZINC000003650286 561682256 /nfs/dbraw/zinc/68/22/56/561682256.db2.gz WHIXWPFMBRCMCI-UHFFFAOYSA-N 0 0 588.111 3.578 1 0 KHAFRN CC(C)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C1CCCC1)C(=O)C(F)(F)F ZINC000003776436 561682283 /nfs/dbraw/zinc/68/22/83/561682283.db2.gz JGFRTWUNQNCPOP-YADHBBJMSA-N 0 0 527.584 3.981 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 ZINC000003777438 561682212 /nfs/dbraw/zinc/68/22/12/561682212.db2.gz VQAVBHLGXVZOKM-RASJMTDNSA-N 0 0 510.704 3.573 1 0 in-vitro KHAFRN O=c1nc2[nH]c3ccc(OCCCCS(=O)(=O)C4CCN(Cc5ccc(F)cc5)CC4)cc3cc-2[nH]1 ZINC000003783604 561682324 /nfs/dbraw/zinc/68/23/24/561682324.db2.gz RNACRTSDBBQYMX-UHFFFAOYSA-N 0 0 512.607 3.782 1 0 KHAFRN O=S(=O)(N[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003784026 561682336 /nfs/dbraw/zinc/68/23/36/561682336.db2.gz IKASFGAIJDOSDK-QHCPKHFHSA-N 0 0 505.566 3.516 1 0 KHAFRN COC(=O)NC(=O)C[C@H]1c2cc(F)ccc2C(=O)N(Cc2nc3cc(C(F)(F)F)ccc3s2)C1=O ZINC000003788622 561682381 /nfs/dbraw/zinc/68/23/81/561682381.db2.gz PMSLFEONEVCHNT-AWEZNQCLSA-N 0 0 509.437 3.993 1 0 KHAFRN CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO ZINC000003794147 561682361 /nfs/dbraw/zinc/68/23/61/561682361.db2.gz WXIDMVGKJBAEFP-RTBURBONSA-N 0 0 510.605 3.869 1 0 KHAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCCc1ccccc1 ZINC000003801694 561682534 /nfs/dbraw/zinc/68/25/34/561682534.db2.gz YSOWDIROXDYGJM-FTJBHMTQSA-N 0 0 515.610 3.642 1 0 KHAFRN CCN1C(=O)C[C@]2(C1=O)c1cc(F)ccc1C(=O)N(Cc1nc3cc(C(F)(F)F)ccc3s1)C2=O ZINC000003802076 561682523 /nfs/dbraw/zinc/68/25/23/561682523.db2.gz HBJAOZRTZCKOOB-JOCHJYFZSA-N 0 0 505.449 3.653 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000003803638 561682679 /nfs/dbraw/zinc/68/26/79/561682679.db2.gz QJHLCFORMVYMNZ-RRPNLBNLSA-N 0 0 510.656 3.744 1 0 KHAFRN O=C([O-])[C@H](CNC(=O)c1cc2sc(CCC3CC[NH2+]CC3)cc2s1)NC(=O)NCc1ccccc1 ZINC000003810475 561682710 /nfs/dbraw/zinc/68/27/10/561682710.db2.gz GHYNVACIIWFLHJ-IBGZPJMESA-N 0 0 514.673 3.577 1 0 KHAFRN O=C([O-])[C@H](CNC(=O)c1cc2cc(CCC3CC[NH2+]CC3)sc2s1)NC(=O)NCc1ccccc1 ZINC000003810477 561682717 /nfs/dbraw/zinc/68/27/17/561682717.db2.gz IBZKBIFFIWJGNV-FQEVSTJZSA-N 0 0 514.673 3.577 1 0 KHAFRN CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCOCC1 ZINC000003818573 561683161 /nfs/dbraw/zinc/68/31/61/561683161.db2.gz VRBTYGBBFHOEHU-HOYKHHGWSA-N 0 0 509.594 3.559 1 0 KHAFRN CC1(C)OC[C@H]([C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 ZINC000003820858 561683349 /nfs/dbraw/zinc/68/33/49/561683349.db2.gz IVPPTWCRAFCOFJ-RTBURBONSA-N 0 0 505.467 3.519 1 0 KHAFRN Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000003824287 561683344 /nfs/dbraw/zinc/68/33/44/561683344.db2.gz CHEUONHPKBJUCB-XMMPIXPASA-N 0 0 521.618 3.595 1 0 KHAFRN Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000003824288 561683254 /nfs/dbraw/zinc/68/32/54/561683254.db2.gz SNYZWGJVKSJMGZ-XMMPIXPASA-N 0 0 506.603 3.839 1 0 KHAFRN CCCCc1nc(C)c(CC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003825625 561683369 /nfs/dbraw/zinc/68/33/69/561683369.db2.gz XYSKNVGAYIZBCK-UHFFFAOYSA-N 0 0 511.630 3.955 1 0 KHAFRN CC(C)(C)OC(=O)Nc1cnccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(N)cc3c2N(CC3)C1=O ZINC000003827876 561683395 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PYVWMBHGWIEVTH-UHFFFAOYSA-N 0 0 517.586 3.954 1 0 KHAFRN CCCn1c2cc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c(=O)n(C)c1=O ZINC000013678843 561724398 /nfs/dbraw/zinc/72/43/98/561724398.db2.gz CGUCUSIMRYITTD-UHFFFAOYSA-N 0 0 511.376 3.885 1 0 KHAFRN CCCn1c2cc(-c3ccc(N(C=O)CC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678926 561724531 /nfs/dbraw/zinc/72/45/31/561724531.db2.gz ASGKXUKJKLBRDS-UHFFFAOYSA-N 0 0 505.550 3.719 1 0 KHAFRN CCCn1c2cc(-c3ccc(OCC(=O)N[C@H](C)[C@H](O)c4ccccc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678934 561724541 /nfs/dbraw/zinc/72/45/41/561724541.db2.gz GROZENRGZLTRFU-WINIVTDRSA-N 0 0 518.614 3.595 1 0 KHAFRN COc1cc(OC)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c1 ZINC000013679764 561724522 /nfs/dbraw/zinc/72/45/22/561724522.db2.gz DSYIOLJCYYJVBT-UHFFFAOYSA-N 0 0 518.975 3.562 1 0 KHAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1nc(C(=O)Nc2ccc(F)cc2)c[nH]1 ZINC000013680347 561724592 /nfs/dbraw/zinc/72/45/92/561724592.db2.gz CZWFMNGZVXFFDM-UHFFFAOYSA-N 0 0 521.553 3.598 1 0 KHAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ncc(CC(=O)NCCC(C)C)s1 ZINC000013680349 561724610 /nfs/dbraw/zinc/72/46/10/561724610.db2.gz HBNGNYDOGUNIOV-UHFFFAOYSA-N 0 0 528.679 3.644 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1cccc(Br)c1 ZINC000013681388 581100206 /nfs/dbraw/zinc/10/02/06/581100206.db2.gz YMBYLURKHCJQCQ-JQVVWYNYSA-N 0 0 521.433 3.518 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1cccc(Br)c1 ZINC000013681390 581100171 /nfs/dbraw/zinc/10/01/71/581100171.db2.gz YMBYLURKHCJQCQ-NNMXDRDESA-N 0 0 521.433 3.518 1 0 KHAFRN CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@]12C ZINC000013718672 561725033 /nfs/dbraw/zinc/72/50/33/561725033.db2.gz ILKJAFIWWBXGDU-MPNCHMSFSA-N 0 0 502.579 3.524 1 0 KHAFRN O=C(CCCOc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013725872 561724997 /nfs/dbraw/zinc/72/49/97/561724997.db2.gz IABORSLPWCIDSR-UHFFFAOYSA-N 0 0 513.520 3.927 1 0 KHAFRN O=C(CCCOc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1)N1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC000013725885 561724984 /nfs/dbraw/zinc/72/49/84/561724984.db2.gz FWGPLDBDKRMGLL-UHFFFAOYSA-N 0 0 527.547 3.969 1 0 KHAFRN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 ZINC000013731690 561725150 /nfs/dbraw/zinc/72/51/50/561725150.db2.gz VQAVBHLGXVZOKM-YBZFOXLFSA-N 0 0 510.704 3.573 1 0 KHAFRN CCOC(=O)CCN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(OC)c2)C1=O ZINC000013732607 561725324 /nfs/dbraw/zinc/72/53/24/561725324.db2.gz WUFKOEJNDDCQJA-AREMUKBSSA-N 0 0 500.555 3.980 1 0 KHAFRN CCOC(=O)CCN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(OC)c2)C1=O ZINC000013732610 561725309 /nfs/dbraw/zinc/72/53/09/561725309.db2.gz WUFKOEJNDDCQJA-SANMLTNESA-N 0 0 500.555 3.980 1 0 KHAFRN CCN(CC)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(OC)c2)C1=O ZINC000013732659 561725381 /nfs/dbraw/zinc/72/53/81/561725381.db2.gz UIANHUVQDDTIHO-HHHXNRCGSA-N 0 0 513.598 3.895 1 0 KHAFRN CCN(CC)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(OC)c2)C1=O ZINC000013732662 561725408 /nfs/dbraw/zinc/72/54/08/561725408.db2.gz UIANHUVQDDTIHO-MHZLTWQESA-N 0 0 513.598 3.895 1 0 KHAFRN COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 ZINC000013732665 561725421 /nfs/dbraw/zinc/72/54/21/561725421.db2.gz UOARATSGTNKNBO-MHZLTWQESA-N 0 0 511.582 3.649 1 0 KHAFRN COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 ZINC000013732668 561725399 /nfs/dbraw/zinc/72/53/99/561725399.db2.gz UOARATSGTNKNBO-HHHXNRCGSA-N 0 0 511.582 3.649 1 0 KHAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCc1ccccc1 ZINC000013734707 561725604 /nfs/dbraw/zinc/72/56/04/561725604.db2.gz OEVLRZHPDAKFSL-RPBOFIJWSA-N 0 0 501.583 3.600 1 0 KHAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCc1cccc(F)c1 ZINC000013734713 561725595 /nfs/dbraw/zinc/72/55/95/561725595.db2.gz ZPYLLHLHJRMHKM-RPBOFIJWSA-N 0 0 519.573 3.739 1 0 KHAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N(C)Cc1ccccc1 ZINC000013734716 561725553 /nfs/dbraw/zinc/72/55/53/561725553.db2.gz PCKJJBIMKAITOP-FTJBHMTQSA-N 0 0 515.610 3.942 1 0 KHAFRN CCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013736767 561725539 /nfs/dbraw/zinc/72/55/39/561725539.db2.gz SYQCYTQBFYWWPW-UHFFFAOYSA-N 0 0 510.602 3.524 1 0 KHAFRN CCc1nc2ccn(CC(=O)N3CCCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013736769 561725597 /nfs/dbraw/zinc/72/55/97/561725597.db2.gz SPUPGKSCQBKDNS-UHFFFAOYSA-N 0 0 522.613 3.668 1 0 KHAFRN CCCc1nc(C)n2nc(NCC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737989 561725680 /nfs/dbraw/zinc/72/56/80/561725680.db2.gz PKOKTPHRCIAYRT-UHFFFAOYSA-N 0 0 511.590 3.798 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000013738718 561725821 /nfs/dbraw/zinc/72/58/21/561725821.db2.gz KNJHZLJXKQOZRU-XMMPIXPASA-N 0 0 513.516 3.969 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000013738719 561725826 /nfs/dbraw/zinc/72/58/26/561725826.db2.gz KNJHZLJXKQOZRU-DEOSSOPVSA-N 0 0 513.516 3.969 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1ccccc1 ZINC000013740109 561725926 /nfs/dbraw/zinc/72/59/26/561725926.db2.gz RWJCTDUZULKDFP-SDHOMARFSA-N 0 0 507.631 3.952 1 0 KHAFRN CCCCc1nc(-c2ccc(C(=O)OC)[n+]([O-])n2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742411 561726359 /nfs/dbraw/zinc/72/63/59/561726359.db2.gz ZTSDJDPZKGONPN-UHFFFAOYSA-N 0 0 510.558 3.603 1 0 KHAFRN COc1cc2c(c(C(C)C)c1)C(=O)N(COc1nc3ccccn3c(=O)c1Cc1ccccc1)S2(=O)=O ZINC000013744359 561726580 /nfs/dbraw/zinc/72/65/80/561726580.db2.gz RNEACDAXDAZWKB-UHFFFAOYSA-N 0 0 519.579 3.598 1 0 KHAFRN CCOC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC000013744835 561726563 /nfs/dbraw/zinc/72/65/63/561726563.db2.gz DUTVARPABFMMHK-YTFSRNRJSA-N 0 0 507.027 3.867 1 0 KHAFRN COc1ccccc1CN(C[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000013746544 561726674 /nfs/dbraw/zinc/72/66/74/561726674.db2.gz IBWUZTJASHTQDR-MUUNZHRXSA-N 0 0 514.670 3.593 1 0 KHAFRN COc1ccccc1CN(C[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000013746547 561726745 /nfs/dbraw/zinc/72/67/45/561726745.db2.gz IBWUZTJASHTQDR-NDEPHWFRSA-N 0 0 514.670 3.593 1 0 KHAFRN COc1ccccc1CN(C[C@@H](NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1)C(C)=O ZINC000013746549 561726729 /nfs/dbraw/zinc/72/67/29/561726729.db2.gz ZARWJSGCHUURQL-MUUNZHRXSA-N 0 0 500.643 3.723 1 0 KHAFRN COc1ccccc1CN(C[C@H](NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1)C(C)=O ZINC000013746551 561726681 /nfs/dbraw/zinc/72/66/81/561726681.db2.gz ZARWJSGCHUURQL-NDEPHWFRSA-N 0 0 500.643 3.723 1 0 KHAFRN Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1 ZINC000013746714 561726667 /nfs/dbraw/zinc/72/66/67/561726667.db2.gz BIOMOYOMCAMNGH-QHCPKHFHSA-N 0 0 501.595 3.770 1 0 KHAFRN COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)N(C)Cc2ccccc2)cc1 ZINC000013746935 561726887 /nfs/dbraw/zinc/72/68/87/561726887.db2.gz QPPFTTIHCGSDAS-MXSCXNJPSA-N 0 0 502.567 3.924 1 0 KHAFRN O=C(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1c(O)ccc(Br)c1[O-] ZINC000013747160 561726968 /nfs/dbraw/zinc/72/69/68/561726968.db2.gz YQHSWEOSWHNZLJ-UHFFFAOYSA-N 0 0 505.438 3.802 1 0 KHAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1C[C@@H](O)CSc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000013756963 561727263 /nfs/dbraw/zinc/72/72/63/561727263.db2.gz FMAMKDNQKWPDMG-JOCHJYFZSA-N 0 0 530.731 3.848 1 0 KHAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1C[C@H](O)CSc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000013756965 561727303 /nfs/dbraw/zinc/72/73/03/561727303.db2.gz FMAMKDNQKWPDMG-QFIPXVFZSA-N 0 0 530.731 3.848 1 0 KHAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000013756967 561727284 /nfs/dbraw/zinc/72/72/84/561727284.db2.gz CDTQEMUZKZHHAU-XMMPIXPASA-N 0 0 512.691 3.689 1 0 KHAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000013756968 561727312 /nfs/dbraw/zinc/72/73/12/561727312.db2.gz CDTQEMUZKZHHAU-DEOSSOPVSA-N 0 0 512.691 3.689 1 0 KHAFRN CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3ccc(OCCOCCOCCO)cc3[nH]2)CC1 ZINC000013758733 561727370 /nfs/dbraw/zinc/72/73/70/561727370.db2.gz MAHKICLCUFADJL-UHFFFAOYSA-N 0 0 539.677 3.529 1 0 KHAFRN CCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NC(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000013758785 561727415 /nfs/dbraw/zinc/72/74/15/561727415.db2.gz ZICISMADASVWBX-UHFFFAOYSA-N 0 0 532.693 3.905 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000013759577 561727514 /nfs/dbraw/zinc/72/75/14/561727514.db2.gz WNSZSZRXSNLYSL-ZCYQVOJMSA-N 0 0 520.630 3.632 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000013759579 561727507 /nfs/dbraw/zinc/72/75/07/561727507.db2.gz LWZDBQBMLCPSSM-ZCYQVOJMSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc21 ZINC000013759580 561727541 /nfs/dbraw/zinc/72/75/41/561727541.db2.gz SFOHMHDPSOPFJL-ZEQRLZLVSA-N 0 0 518.614 3.656 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000013761511 561727797 /nfs/dbraw/zinc/72/77/97/561727797.db2.gz NUGYAMLAUIVHKL-MUUNZHRXSA-N 0 0 506.507 3.848 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000013761512 561727823 /nfs/dbraw/zinc/72/78/23/561727823.db2.gz NUGYAMLAUIVHKL-NDEPHWFRSA-N 0 0 506.507 3.848 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000013761513 561727800 /nfs/dbraw/zinc/72/78/00/561727800.db2.gz ARCCNAPMMHWOCU-MUUNZHRXSA-N 0 0 506.507 3.848 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000013761514 561727792 /nfs/dbraw/zinc/72/77/92/561727792.db2.gz ARCCNAPMMHWOCU-NDEPHWFRSA-N 0 0 506.507 3.848 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)C(F)(F)F ZINC000013762586 561728316 /nfs/dbraw/zinc/72/83/16/561728316.db2.gz DNOTVFIHOOSWKH-BDTNDASRSA-N 0 0 519.564 3.857 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000013762588 561728260 /nfs/dbraw/zinc/72/82/60/561728260.db2.gz DNOTVFIHOOSWKH-FKBYEOEOSA-N 0 0 519.564 3.857 1 0 KHAFRN CC(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C ZINC000013763666 561728308 /nfs/dbraw/zinc/72/83/08/561728308.db2.gz LZNQWTXLCBDEDL-CCDWMCETSA-N 0 0 511.663 3.578 1 0 KHAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)CCC ZINC000013765586 561728423 /nfs/dbraw/zinc/72/84/23/561728423.db2.gz ACFKURGLCFFKSZ-RCXJIHSJSA-N 0 0 532.659 3.717 1 0 KHAFRN NC(=[NH2+])c1ccc2oc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2c1 ZINC000013776160 561728531 /nfs/dbraw/zinc/72/85/31/561728531.db2.gz JGHDTJHHRBLCCP-XZOQPEGZSA-N 0 0 510.550 3.616 1 0 KHAFRN NC(=[NH2+])c1ccc2oc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2c1 ZINC000013776162 561728557 /nfs/dbraw/zinc/72/85/57/561728557.db2.gz JGHDTJHHRBLCCP-GOTSBHOMSA-N 0 0 510.550 3.616 1 0 KHAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)N(C)C ZINC000013776647 561728650 /nfs/dbraw/zinc/72/86/50/561728650.db2.gz QWRZFPWDMNOMCA-UHFFFAOYSA-N 0 0 509.566 3.849 1 0 KHAFRN COC(=O)c1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C ZINC000013776680 561728661 /nfs/dbraw/zinc/72/86/61/561728661.db2.gz GYOXBIRWEXESML-UHFFFAOYSA-N 0 0 502.575 3.531 1 0 KHAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)cc1)cn2C(=O)N(C)C ZINC000013776686 561728648 /nfs/dbraw/zinc/72/86/48/561728648.db2.gz UKXMFNVZCBCQEC-UHFFFAOYSA-N 0 0 511.538 3.528 1 0 KHAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c3cc[nH]c4=O)cc1)cn2C(=O)N(C)C ZINC000013776688 561728643 /nfs/dbraw/zinc/72/86/43/561728643.db2.gz CJZRHJYAMUYAKM-UHFFFAOYSA-N 0 0 511.538 3.583 1 0 KHAFRN COc1ccccc1N1CCN(CCN2C(=O)CC[C@@H]2c2ccc(I)cc2)CC1 ZINC000013776821 561728621 /nfs/dbraw/zinc/72/86/21/561728621.db2.gz KEQNIHXKRPJYPV-HXUWFJFHSA-N 0 0 505.400 3.786 1 0 KHAFRN COc1ccccc1N1CCN(CCN2C(=O)CC[C@H]2c2ccc(I)cc2)CC1 ZINC000013776823 561728624 /nfs/dbraw/zinc/72/86/24/561728624.db2.gz KEQNIHXKRPJYPV-FQEVSTJZSA-N 0 0 505.400 3.786 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1 ZINC000013780786 561729173 /nfs/dbraw/zinc/72/91/73/561729173.db2.gz UILHYIWDZUYMGB-SVBPBHIXSA-N 0 0 514.695 3.912 1 0 KHAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1OCCCO1 ZINC000013780898 561729286 /nfs/dbraw/zinc/72/92/86/561729286.db2.gz VFGAMOVSTAXQPU-UMTXDNHDSA-N 0 0 518.651 3.856 1 0 KHAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCC1OCCO1 ZINC000013780899 561729334 /nfs/dbraw/zinc/72/93/34/561729334.db2.gz XTWOCKNOYHCLDP-UMTXDNHDSA-N 0 0 518.651 3.856 1 0 KHAFRN COc1cc2nc(N3CCN(C(=O)C(C)(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC ZINC000013782859 561729844 /nfs/dbraw/zinc/72/98/44/561729844.db2.gz RAMKRNRAZRVJGG-UHFFFAOYSA-N 0 0 523.634 3.867 1 0 KHAFRN COC(=O)[C@H](O)[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000013783570 560220407 /nfs/dbraw/zinc/22/04/07/560220407.db2.gz LUDUHKJIKKLONS-AYOXSWCUSA-N 0 0 528.598 3.697 1 0 in-vitro KHAFRN COC(=O)c1c(C(=O)N2CCOCC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000013796701 561730112 /nfs/dbraw/zinc/73/01/12/561730112.db2.gz GSPAOPRKEJDWGO-UHFFFAOYSA-N 0 0 525.554 3.809 1 0 KHAFRN Cc1ccc(-c2cncc([C@@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)cc1 ZINC000013803213 561731110 /nfs/dbraw/zinc/73/11/10/561731110.db2.gz MPFIWYKBZYJEQO-ZEQKJWHPSA-N 0 0 506.647 3.707 1 0 KHAFRN Cc1ccc(-c2cncc([C@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)cc1 ZINC000013803215 561731036 /nfs/dbraw/zinc/73/10/36/561731036.db2.gz MPFIWYKBZYJEQO-BVAGGSTKSA-N 0 0 506.647 3.707 1 0 KHAFRN Cc1ccc(-c2cncc([C@@H](CC(=O)[O-])NC(=O)[C@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)cc1 ZINC000013803217 561731048 /nfs/dbraw/zinc/73/10/48/561731048.db2.gz MPFIWYKBZYJEQO-JYFHCDHNSA-N 0 0 506.647 3.707 1 0 KHAFRN Cc1ccc(-c2cncc([C@H](CC(=O)[O-])NC(=O)[C@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)cc1 ZINC000013803219 561731050 /nfs/dbraw/zinc/73/10/50/561731050.db2.gz MPFIWYKBZYJEQO-OZXSUGGESA-N 0 0 506.647 3.707 1 0 KHAFRN O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(CCc2ccccc2)c1 ZINC000013803240 561731043 /nfs/dbraw/zinc/73/10/43/561731043.db2.gz HIASMCVWLMTBEO-VPUSJEBWSA-N 0 0 520.674 3.517 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)nc2c(=O)n(CCC)c1=O ZINC000013806284 561731473 /nfs/dbraw/zinc/73/14/73/561731473.db2.gz DSQNPGQGZQBMQL-UHFFFAOYSA-N 0 0 503.559 3.593 1 0 KHAFRN C=CC(=O)N(C)c1nc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000013806974 561731454 /nfs/dbraw/zinc/73/14/54/561731454.db2.gz FHHOEGKZVIYWLM-UHFFFAOYSA-N 0 0 500.962 3.811 1 0 KHAFRN CCOC(=O)C(CCCCn1cnc2c1NC=NC[C@@H]2O)(Cc1ccccc1C(F)(F)F)C(=O)OCC ZINC000013807833 561731505 /nfs/dbraw/zinc/73/15/05/561731505.db2.gz JCFLAQSWFIJKIG-IBGZPJMESA-N 0 0 524.540 3.915 1 0 KHAFRN CCOC(=O)C(CCCCn1cnc2c1NC=NC[C@H]2O)(Cc1ccccc1C(F)(F)F)C(=O)OCC ZINC000013807835 561731450 /nfs/dbraw/zinc/73/14/50/561731450.db2.gz JCFLAQSWFIJKIG-LJQANCHMSA-N 0 0 524.540 3.915 1 0 KHAFRN COc1ccc(C[C@@H]2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 ZINC000013813400 561731882 /nfs/dbraw/zinc/73/18/82/561731882.db2.gz KFKANIQRRNPYNQ-HXUWFJFHSA-N 0 0 505.438 3.574 1 0 KHAFRN COc1ccc(C[C@H]2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 ZINC000013813403 561731827 /nfs/dbraw/zinc/73/18/27/561731827.db2.gz KFKANIQRRNPYNQ-FQEVSTJZSA-N 0 0 505.438 3.574 1 0 KHAFRN C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc2c(c1)OCCN2C)CC3 ZINC000013817444 561732126 /nfs/dbraw/zinc/73/21/26/561732126.db2.gz VKECWVYRTADNNY-IBGZPJMESA-N 0 0 521.639 3.697 1 0 KHAFRN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(COc4ccccc4)c4c(c3C2)CO[C@@H](C)C4)cc1 ZINC000013817601 561732216 /nfs/dbraw/zinc/73/22/16/561732216.db2.gz JHLQAFKRXZRDIZ-SFHVURJKSA-N 0 0 507.612 3.827 1 0 KHAFRN Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1 ZINC000013818835 561732360 /nfs/dbraw/zinc/73/23/60/561732360.db2.gz LIUGGZHXGKBWCW-UHFFFAOYSA-N 0 0 508.582 3.836 1 0 KHAFRN CCN(CC)C(=O)COC(=O)CN(C(=O)OC)C(=O)c1c(F)ccc2c1ccc(OC)c2C(F)(F)F ZINC000013823627 561732808 /nfs/dbraw/zinc/73/28/08/561732808.db2.gz OWIKHZIJTSVROX-UHFFFAOYSA-N 0 0 516.444 3.627 1 0 KHAFRN Cn1c(/C=C/c2cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013826951 561733001 /nfs/dbraw/zinc/73/30/01/561733001.db2.gz DIXVBPRYKDJULM-BUHFOSPRSA-N 0 0 511.579 3.818 1 0 KHAFRN CCOC(=O)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000013833739 561733933 /nfs/dbraw/zinc/73/39/33/561733933.db2.gz NRIVSUPNDJUWHY-YADHBBJMSA-N 0 0 502.995 3.841 1 0 KHAFRN CCOC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000013833740 561733994 /nfs/dbraw/zinc/73/39/94/561733994.db2.gz NRIVSUPNDJUWHY-VXKWHMMOSA-N 0 0 502.995 3.841 1 0 KHAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1 ZINC000013833763 561733895 /nfs/dbraw/zinc/73/38/95/561733895.db2.gz NDHXUSGFCSYNLZ-RPBOFIJWSA-N 0 0 509.647 3.931 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1 ZINC000013833764 561733914 /nfs/dbraw/zinc/73/39/14/561733914.db2.gz NDHXUSGFCSYNLZ-DQEYMECFSA-N 0 0 509.647 3.931 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 ZINC000013833772 561733955 /nfs/dbraw/zinc/73/39/55/561733955.db2.gz OMRMJPJSXPRGHA-SVBPBHIXSA-N 0 0 529.637 3.941 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 ZINC000013833773 561733996 /nfs/dbraw/zinc/73/39/96/561733996.db2.gz OMRMJPJSXPRGHA-SXOMAYOGSA-N 0 0 529.637 3.941 1 0 KHAFRN O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 ZINC000013859896 561734417 /nfs/dbraw/zinc/73/44/17/561734417.db2.gz KLHSXAZZKUOFFG-FQEVSTJZSA-N 0 0 507.450 3.864 1 0 KHAFRN CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)c(Br)c3)c2c(=O)n(CC)c1=O ZINC000013860290 561734619 /nfs/dbraw/zinc/73/46/19/561734619.db2.gz ONQSPLISPVBGKL-UHFFFAOYSA-N 0 0 504.429 3.964 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(=O)ccnc1-c1ccc(F)cc1)C(=O)c1nnc(C(C)(C)c2ccccc2)o1 ZINC000013862578 561734820 /nfs/dbraw/zinc/73/48/20/561734820.db2.gz XISLFGSGXNDPIU-QHCPKHFHSA-N 0 0 517.561 3.782 1 0 KHAFRN C[C@H]([NH2+]CCc1cc(Br)c(NCC(=O)[O-])c(Br)c1)[C@H](O)c1ccc(O)cc1 ZINC000013862641 561734898 /nfs/dbraw/zinc/73/48/98/561734898.db2.gz MBSXHCBRJMLUOW-WLRWDXFRSA-N 0 0 502.203 3.668 1 0 KHAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1N1CCCCC1 ZINC000013863105 561735006 /nfs/dbraw/zinc/73/50/06/561735006.db2.gz XJMIBJPTNHWENJ-UHFFFAOYSA-N 0 0 512.559 3.620 1 0 KHAFRN COc1ccc(Cl)cc1N1CCN(CCCNc2c(=O)n(C)nc(-c3ccccc3)c2C(C)=O)CC1 ZINC000013863386 561735011 /nfs/dbraw/zinc/73/50/11/561735011.db2.gz NRYJUVLALBJESR-UHFFFAOYSA-N 0 0 510.038 3.936 1 0 KHAFRN O=S(=O)(N[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013890116 561735478 /nfs/dbraw/zinc/73/54/78/561735478.db2.gz IKASFGAIJDOSDK-HSZRJFAPSA-N 0 0 505.566 3.516 1 0 KHAFRN O=C1OC(=CCn2cc(C(F)(F)F)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000013913725 561735725 /nfs/dbraw/zinc/73/57/25/561735725.db2.gz CNDOSXSVVXIDRN-ODLFYWEKSA-N 0 0 500.429 3.641 1 0 KHAFRN Cc1ccc(Oc2ncccc2C(=O)NC[C@H](O)CN2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000013913932 561735694 /nfs/dbraw/zinc/73/56/94/561735694.db2.gz IVNUKWQMKLKFEF-QHCPKHFHSA-N 0 0 504.631 3.882 1 0 KHAFRN CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(N5CCOCC5)c4)ccc3C)c2c1C ZINC000013983253 561736054 /nfs/dbraw/zinc/73/60/54/561736054.db2.gz GGNLSZIPFKRCBF-UHFFFAOYSA-N 0 0 513.602 3.928 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O ZINC000014096696 561736525 /nfs/dbraw/zinc/73/65/25/561736525.db2.gz GXENQLUSOCKXDN-GMQQYTKMSA-N 0 0 594.709 3.565 1 0 in-vivo KHAFRN COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1O ZINC000014113395 561736537 /nfs/dbraw/zinc/73/65/37/561736537.db2.gz WLMWXPVAHPISEZ-HHHXNRCGSA-N 0 0 608.644 3.562 1 0 KHAFRN COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000014140394 561737101 /nfs/dbraw/zinc/73/71/01/561737101.db2.gz KUZBKIYSYFCFOT-QPLCGJKRSA-N 0 0 534.638 3.733 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccc(N4CCCC4)cc3)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000014164537 561737156 /nfs/dbraw/zinc/73/71/56/561737156.db2.gz APJVOWJJCXAZNW-VCTRWQRLSA-N 0 0 621.756 3.679 1 0 KHAFRN Nc1ncnc2nc(-c3ccc(N4CCC(O)([C@H]5CCOC5=O)CC4)nc3)cc(-c3cccc(Br)c3)c12 ZINC000014175611 561737300 /nfs/dbraw/zinc/73/73/00/561737300.db2.gz CCOADJMPSXNLSS-FQEVSTJZSA-N 0 0 561.440 3.993 1 0 KHAFRN CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O ZINC000014191332 561737405 /nfs/dbraw/zinc/73/74/05/561737405.db2.gz XMTYQIRCWZBVAL-URLMMPGGSA-N 0 0 638.234 3.607 1 0 KHAFRN CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O ZINC000014210461 561737827 /nfs/dbraw/zinc/73/78/27/561737827.db2.gz ZWFDZDQFUCUABT-IWVFXYMLSA-N 0 0 578.779 3.969 1 0 KHAFRN C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000014211120 561738106 /nfs/dbraw/zinc/73/81/06/561738106.db2.gz BQYPKXDCTROOHB-AWEZNQCLSA-N 0 0 532.036 3.755 1 0 in-vivo KHAFRN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)sc2n1 ZINC000014211124 561738110 /nfs/dbraw/zinc/73/81/10/561738110.db2.gz GMGMDWSPSKXMJH-NRFANRHFSA-N 0 0 543.715 3.939 1 0 KHAFRN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)sc2n1 ZINC000014211126 561738045 /nfs/dbraw/zinc/73/80/45/561738045.db2.gz GMGMDWSPSKXMJH-OAQYLSRUSA-N 0 0 543.715 3.939 1 0 in-vitro KHAFRN COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)cn2C)cn1C ZINC000014211274 561738080 /nfs/dbraw/zinc/73/80/80/561738080.db2.gz AYJUTKQNHHVYAL-FQEVSTJZSA-N 0 0 590.637 3.529 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000014234538 561738193 /nfs/dbraw/zinc/73/81/93/561738193.db2.gz LJBDZBPRKRUUJF-MTKOPPBXSA-N 0 0 525.690 3.749 1 0 KHAFRN CCC(CC)C(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243284 561738192 /nfs/dbraw/zinc/73/81/92/561738192.db2.gz ZBRLGJYJSHQDOY-JOCHJYFZSA-N 0 0 602.681 3.684 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)C3CCCCC3)C2)cc(OC)c1OC ZINC000014243285 561738201 /nfs/dbraw/zinc/73/82/01/561738201.db2.gz BLDZWCUVWBMDLL-HSZRJFAPSA-N 0 0 614.692 3.829 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)CC(C)(C)C)C2)cc(OC)c1OC ZINC000014243291 561738180 /nfs/dbraw/zinc/73/81/80/561738180.db2.gz ZVGSBMSQLRSOHN-OAQYLSRUSA-N 0 0 602.681 3.684 1 0 KHAFRN CCC(CC)NC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243292 561738184 /nfs/dbraw/zinc/73/81/84/561738184.db2.gz SBHBWISDHLCEJR-JOCHJYFZSA-N 0 0 617.696 3.620 1 0 KHAFRN CCC[C@H](C)NC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243294 561738196 /nfs/dbraw/zinc/73/81/96/561738196.db2.gz SGVUFQYRNRMBDS-UGKGYDQZSA-N 0 0 617.696 3.620 1 0 KHAFRN CCC[C@@H](C)NC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243295 561738317 /nfs/dbraw/zinc/73/83/17/561738317.db2.gz SGVUFQYRNRMBDS-DENIHFKCSA-N 0 0 617.696 3.620 1 0 KHAFRN CCC[C@H](C)NC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014243296 561738268 /nfs/dbraw/zinc/73/82/68/561738268.db2.gz SGVUFQYRNRMBDS-SIKLNZKXSA-N 0 0 617.696 3.620 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)N[C@@H](C)C(C)(C)C)C2)cc(OC)c1OC ZINC000014243297 561738338 /nfs/dbraw/zinc/73/83/38/561738338.db2.gz VYEAAAIUPVSYGH-SIKLNZKXSA-N 0 0 631.723 3.866 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](COC(=O)N[C@@H](C)C(C)(C)C)C2)cc(OC)c1OC ZINC000014243298 561738312 /nfs/dbraw/zinc/73/83/12/561738312.db2.gz VYEAAAIUPVSYGH-UGKGYDQZSA-N 0 0 631.723 3.866 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)N[C@H](C)C(C)(C)C)C2)cc(OC)c1OC ZINC000014243299 561738333 /nfs/dbraw/zinc/73/83/33/561738333.db2.gz VYEAAAIUPVSYGH-DENIHFKCSA-N 0 0 631.723 3.866 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)N[C@@H](C)CC(C)C)C2)cc(OC)c1OC ZINC000014243301 561738328 /nfs/dbraw/zinc/73/83/28/561738328.db2.gz VJAMGEUEUBUVCW-NZQKXSOJSA-N 0 0 631.723 3.866 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](COC(=O)N[C@@H](C)CC(C)C)C2)cc(OC)c1OC ZINC000014243302 561738304 /nfs/dbraw/zinc/73/83/04/561738304.db2.gz VJAMGEUEUBUVCW-REWPJTCUSA-N 0 0 631.723 3.866 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)N[C@H](C)CC(C)C)C2)cc(OC)c1OC ZINC000014243303 561738306 /nfs/dbraw/zinc/73/83/06/561738306.db2.gz VJAMGEUEUBUVCW-NFBKMPQASA-N 0 0 631.723 3.866 1 0 KHAFRN COC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000014243506 561738310 /nfs/dbraw/zinc/73/83/10/561738310.db2.gz QEVLWPXEGNYRMI-GCXHJFECSA-N 0 0 591.749 3.774 1 0 KHAFRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2=O)cc1 ZINC000014277524 561739068 /nfs/dbraw/zinc/73/90/68/561739068.db2.gz JALUSMFQYPVKFS-DEOSSOPVSA-N 0 0 592.596 3.547 1 0 KHAFRN CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3C(=O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]12 ZINC000014299884 561739586 /nfs/dbraw/zinc/73/95/86/561739586.db2.gz KNVGPYKVIULWLB-KQMWBWNXSA-N 0 0 581.618 3.905 1 0 KHAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4C(=O)[C@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000014299885 561739553 /nfs/dbraw/zinc/73/95/53/561739553.db2.gz KNVGPYKVIULWLB-FROQCPOMSA-N 0 0 581.618 3.905 1 0 KHAFRN CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3C(=O)[C@@H]21 ZINC000014299886 561739584 /nfs/dbraw/zinc/73/95/84/561739584.db2.gz KNVGPYKVIULWLB-KUCIYCLDSA-N 0 0 581.618 3.905 1 0 KHAFRN COc1cc(C[C@H](COC(C)=O)[C@@H](COC(C)=O)Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 ZINC000014616705 560223268 /nfs/dbraw/zinc/22/32/68/560223268.db2.gz GDCMUMBNRKFFLI-NHCUHLMSSA-N 0 0 518.559 3.594 1 0 biogenic,in-vitro KHAFRN COC(=O)[C@H]1[C@@H](O)[C@@]2(OC)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000014687581 561739807 /nfs/dbraw/zinc/73/98/07/561739807.db2.gz OAKWLIZTUWAJDM-IDAMAFBJSA-N 0 0 506.551 3.790 1 0 KHAFRN COC(=O)CC[C@@]1(C)[C@@H](C(C)(C)O)[C@H](OC(C)=O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]12)C(=O)OC4 ZINC000014858258 571726625 /nfs/dbraw/zinc/72/66/25/571726625.db2.gz ZOYRWINBLNBGCP-VTCLXJHFSA-N 0 0 518.603 3.666 1 0 endogenous,in-man KHAFRN COC(=O)CC[C@@]1(C)[C@H]2Cc3c(OC)c4c(c(C)c3O[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]1C(C)(C)O)COC4=O ZINC000014858259 571726508 /nfs/dbraw/zinc/72/65/08/571726508.db2.gz ZOYRWINBLNBGCP-HCEVCGSESA-N 0 0 518.603 3.666 1 0 endogenous,in-man KHAFRN COC(=O)CC[C@]1(C)[C@H]2Cc3c(OC)c4c(c(C)c3O[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]1C(C)(C)O)COC4=O ZINC000014858260 571726537 /nfs/dbraw/zinc/72/65/37/571726537.db2.gz ZOYRWINBLNBGCP-DNWFYVLWSA-N 0 0 518.603 3.666 1 0 endogenous,in-man KHAFRN O=C1N(CCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCO ZINC000014907377 561740189 /nfs/dbraw/zinc/74/01/89/561740189.db2.gz LUWZWPBFBGGXGY-XAZDILKDSA-N 0 0 526.718 3.774 1 0 KHAFRN CNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000014908079 561740202 /nfs/dbraw/zinc/74/02/02/561740202.db2.gz LTVYROXJAPCACF-WZJLIZBTSA-N 0 0 620.750 3.788 1 0 KHAFRN CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942858 561740346 /nfs/dbraw/zinc/74/03/46/561740346.db2.gz DYRQCFKJNPXYSL-QXWHLYFESA-N 0 0 605.842 3.692 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)O[C@H]1CCCOC1 ZINC000014942893 561740444 /nfs/dbraw/zinc/74/04/44/561740444.db2.gz WHEAOWNCXPCPCE-QWELAOBGSA-N 0 0 572.702 3.887 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)O[C@@H]1CCCOC1 ZINC000014942894 561740460 /nfs/dbraw/zinc/74/04/60/561740460.db2.gz WHEAOWNCXPCPCE-LOOYLFGLSA-N 0 0 572.702 3.887 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)OC1CCOCC1 ZINC000014942895 561740459 /nfs/dbraw/zinc/74/04/59/561740459.db2.gz PFYXADIWLAQFKJ-KHQGQIEXSA-N 0 0 572.702 3.887 1 0 KHAFRN CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)CC1CCCCC1 ZINC000014943016 561740658 /nfs/dbraw/zinc/74/06/58/561740658.db2.gz IJBPAVCQGVFAKL-YTCPBCGMSA-N 0 0 623.795 3.636 1 0 KHAFRN CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1 ZINC000014943017 561740605 /nfs/dbraw/zinc/74/06/05/561740605.db2.gz LDOHVDYPFKGCAF-RWSKJCERSA-N 0 0 644.817 3.687 1 0 KHAFRN C[C@H](c1ccccc1)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C ZINC000014943020 561740651 /nfs/dbraw/zinc/74/06/51/561740651.db2.gz JWZDCFNILWOTAP-QVDUQQMDSA-N 0 0 631.774 3.817 1 0 KHAFRN C[C@@H](c1ccccc1)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C ZINC000014943021 561740555 /nfs/dbraw/zinc/74/05/55/561740555.db2.gz JWZDCFNILWOTAP-DNEFNOKRSA-N 0 0 631.774 3.817 1 0 KHAFRN CCC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943048 561740607 /nfs/dbraw/zinc/74/06/07/561740607.db2.gz RHMWHSCIEZRMHZ-QXWHLYFESA-N 0 0 605.842 3.836 1 0 KHAFRN CCC[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943049 561740564 /nfs/dbraw/zinc/74/05/64/561740564.db2.gz RHMWHSCIEZRMHZ-XHTFZTLQSA-N 0 0 605.842 3.836 1 0 KHAFRN C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943100 561740757 /nfs/dbraw/zinc/74/07/57/561740757.db2.gz QTNAAUNGPVSOQG-UTRCQKEQSA-N 0 0 558.748 3.587 1 0 KHAFRN C[C@H](Cc1ccccc1)NC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943101 561740723 /nfs/dbraw/zinc/74/07/23/561740723.db2.gz QTNAAUNGPVSOQG-JZJGJFRJSA-N 0 0 558.748 3.587 1 0 KHAFRN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000014943156 561741055 /nfs/dbraw/zinc/74/10/55/561741055.db2.gz FACAUYLYCYUNSS-ZJSPYRCASA-N 0 0 525.690 3.749 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000014943157 561741076 /nfs/dbraw/zinc/74/10/76/561741076.db2.gz FACAUYLYCYUNSS-RSYZFUPGSA-N 0 0 525.690 3.749 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943218 561741135 /nfs/dbraw/zinc/74/11/35/561741135.db2.gz OZGPXSDVWSRZFO-QSHKSBDLSA-N 0 0 576.690 3.918 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943281 561741238 /nfs/dbraw/zinc/74/12/38/561741238.db2.gz BJSDYSQDZIOQOY-QQUXCFAXSA-N 0 0 622.784 3.910 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(CO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943284 561741248 /nfs/dbraw/zinc/74/12/48/561741248.db2.gz VGMPZEPIRBEORD-RWUKFNQSSA-N 0 0 574.718 3.999 1 0 KHAFRN CCOc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943363 561741425 /nfs/dbraw/zinc/74/14/25/561741425.db2.gz QLWYZVLNCWQIIO-JWXZHISWSA-N 0 0 589.733 3.815 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000014943369 561741628 /nfs/dbraw/zinc/74/16/28/561741628.db2.gz UBEGCQHZVJEZFE-RLXMVLCYSA-N 0 0 622.807 3.863 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000014943370 561741626 /nfs/dbraw/zinc/74/16/26/561741626.db2.gz UBEGCQHZVJEZFE-PCPRHZMTSA-N 0 0 622.807 3.863 1 0 KHAFRN CC(C)(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C ZINC000014943377 561741592 /nfs/dbraw/zinc/74/15/92/561741592.db2.gz NLFFAUCKMYMCIL-CCDWMCETSA-N 0 0 525.690 3.968 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000014943388 561741594 /nfs/dbraw/zinc/74/15/94/561741594.db2.gz USDNQYXWJMPGMR-VVZGZWEYSA-N 0 0 559.707 3.945 1 0 KHAFRN CCN(c1ncccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943757 561742032 /nfs/dbraw/zinc/74/20/32/561742032.db2.gz CJVSAUCGCNOXQW-UHFFFAOYSA-N 0 0 596.802 3.809 1 0 KHAFRN CCN(c1nc(F)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943767 561742023 /nfs/dbraw/zinc/74/20/23/561742023.db2.gz JGKDWWQATLKFHB-UHFFFAOYSA-N 0 0 614.792 3.948 1 0 KHAFRN O=C1N(Cc2ccccc2)[C@H](Cc2ccncc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccncc2)N1Cc1ccccc1 ZINC000014945767 561743261 /nfs/dbraw/zinc/74/32/61/561743261.db2.gz IJMLLSKOKKJLBX-XAZDILKDSA-N 0 0 508.622 3.859 1 0 KHAFRN COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)cc(OC)c1 ZINC000014945769 561743253 /nfs/dbraw/zinc/74/32/53/561743253.db2.gz CUTWMGRMTNRFHO-XAZDILKDSA-N 0 0 554.684 3.523 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NC1CCCCC1 ZINC000014945928 561743330 /nfs/dbraw/zinc/74/33/30/561743330.db2.gz YVXJTOJAKZGMGP-KLJDGLGGSA-N 0 0 603.558 3.500 1 0 KHAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC(C)C)cc1 ZINC000014946330 561743488 /nfs/dbraw/zinc/74/34/88/561743488.db2.gz HPMPARPJICICTB-XZOQPEGZSA-N 0 0 508.637 3.523 1 0 KHAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OCC(C)C)cc1 ZINC000014946332 561743626 /nfs/dbraw/zinc/74/36/26/561743626.db2.gz ZMTSUDMDVPYUFD-BJKOFHAPSA-N 0 0 522.664 3.770 1 0 KHAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)CC[C@@H]1Cc1ccccc1 ZINC000014946357 561743611 /nfs/dbraw/zinc/74/36/11/561743611.db2.gz VFXWXTTYUYUQCX-ZSVDEAFPSA-N 0 0 512.650 3.605 1 0 KHAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@@H](O)CN1C(=O)CC[C@@H]1Cc1ccccc1 ZINC000014946358 561743564 /nfs/dbraw/zinc/74/35/64/561743564.db2.gz VFXWXTTYUYUQCX-KJGTVYTNSA-N 0 0 512.650 3.605 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2CCCC/C=C\COc3c(O)cccc3C(=O)N2)cc1 ZINC000014946390 561743677 /nfs/dbraw/zinc/74/36/77/561743677.db2.gz VLCHKLWDNXNIPB-BJGOYNQQSA-N 0 0 546.686 3.716 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2CCCCCCCOc3c(O)cccc3C(=O)N2)cc1 ZINC000014946392 561743681 /nfs/dbraw/zinc/74/36/81/561743681.db2.gz FTEGNCQZPKADDA-AZGAKELHSA-N 0 0 548.702 3.940 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCSC2)cc1 ZINC000014946399 561743673 /nfs/dbraw/zinc/74/36/73/561743673.db2.gz WIJFQBUVCHIMHL-ZKMPZPQNSA-N 0 0 536.716 3.546 1 0 KHAFRN CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@@]1(C)C(=O)Nc2ccccc21 ZINC000014946408 561743670 /nfs/dbraw/zinc/74/36/70/561743670.db2.gz NUVAAKOSCBUFEQ-FEZKEUTHSA-N 0 0 551.684 3.662 1 0 KHAFRN CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@]1(C)C(=O)Nc2ccccc21 ZINC000014946409 561743667 /nfs/dbraw/zinc/74/36/67/561743667.db2.gz NUVAAKOSCBUFEQ-LAPAADASSA-N 0 0 551.684 3.662 1 0 KHAFRN C[C@@]1(N(Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21 ZINC000014946410 561743859 /nfs/dbraw/zinc/74/38/59/561743859.db2.gz WJNUCRCRECFEDH-VJPBLZNCSA-N 0 0 571.674 3.816 1 0 KHAFRN C[C@]1(N(Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21 ZINC000014946411 561743828 /nfs/dbraw/zinc/74/38/28/561743828.db2.gz WJNUCRCRECFEDH-NERNPWRGSA-N 0 0 571.674 3.816 1 0 KHAFRN O=C1N(Cc2ccccn2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccn1 ZINC000014946431 561743803 /nfs/dbraw/zinc/74/38/03/561743803.db2.gz LEQMLOFBCWZPIR-XAZDILKDSA-N 0 0 508.622 3.859 1 0 KHAFRN O=C1N(Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccnc1 ZINC000014946432 561743869 /nfs/dbraw/zinc/74/38/69/561743869.db2.gz GMQJLAMTPFFOGB-XAZDILKDSA-N 0 0 508.622 3.859 1 0 KHAFRN O=C1N(Cc2ccncc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccncc1 ZINC000014946433 561743806 /nfs/dbraw/zinc/74/38/06/561743806.db2.gz DPLHSSKHQGEHNY-XAZDILKDSA-N 0 0 508.622 3.859 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(N)c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946737 561744267 /nfs/dbraw/zinc/74/42/67/561744267.db2.gz BJSAKQUILVNYIK-LJAQVGFWSA-N 0 0 581.783 3.852 1 0 KHAFRN COC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000014947130 581100635 /nfs/dbraw/zinc/10/06/35/581100635.db2.gz XLHVKOYUGQVAOC-WNJJXGMVSA-N 0 0 598.766 3.683 1 0 KHAFRN COC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000014947131 581100709 /nfs/dbraw/zinc/10/07/09/581100709.db2.gz XLHVKOYUGQVAOC-UHSQPCAPSA-N 0 0 598.766 3.683 1 0 KHAFRN COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000014947132 581100745 /nfs/dbraw/zinc/10/07/45/581100745.db2.gz DRDQKOKQQIVXRZ-YTMVLYRLSA-N 0 0 598.766 3.683 1 0 KHAFRN COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000014947133 581100721 /nfs/dbraw/zinc/10/07/21/581100721.db2.gz DRDQKOKQQIVXRZ-PXJZQJOASA-N 0 0 598.766 3.683 1 0 KHAFRN CC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000014947142 561744478 /nfs/dbraw/zinc/74/44/78/561744478.db2.gz VFQDSZVKVROZAT-NYDCQLBNSA-N 0 0 608.805 3.900 1 0 KHAFRN CC(=O)Oc1ccc(CN2c3ccc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)cc3C(=O)C2=O)cc1 ZINC000014947177 561744499 /nfs/dbraw/zinc/74/44/99/561744499.db2.gz BSDZXTVQJICEPK-NRFANRHFSA-N 0 0 534.590 3.574 1 0 KHAFRN CC(=O)OCCN1C(=O)c2c(c3cc(S(=O)(=O)N4CCOCC4)ccc3nc2/C=C/c2ccc(C(F)(F)F)cc2)C1=O ZINC000014947184 561744502 /nfs/dbraw/zinc/74/45/02/561744502.db2.gz DJVDXXZVNUTONY-XBXARRHUSA-N 0 0 603.575 3.604 1 0 KHAFRN CC(=O)N1CCN(CCOc2cc3ncnc(Nc4c5c(ccc4F)OCO5)c3c(OC(C)C)c2)CC1 ZINC000014949466 561745045 /nfs/dbraw/zinc/74/50/45/561745045.db2.gz ODKPHHJCMRKOPX-UHFFFAOYSA-N 0 0 511.554 3.571 1 0 KHAFRN CCCCNC(=O)C(=O)[C@@H](CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C ZINC000014949509 561744997 /nfs/dbraw/zinc/74/49/97/561744997.db2.gz XGGBSZRZECTRLM-HTUFRPJOSA-N 0 0 576.779 3.713 1 0 KHAFRN CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C ZINC000014949512 561744995 /nfs/dbraw/zinc/74/49/95/561744995.db2.gz XGGBSZRZECTRLM-LSBAASHUSA-N 0 0 576.779 3.713 1 0 KHAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccccc2)nc1 ZINC000014949893 561745305 /nfs/dbraw/zinc/74/53/05/561745305.db2.gz LYDTZBUSUCDSRL-UHFFFAOYSA-N 0 0 515.574 3.525 1 0 KHAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ncc(NC(=O)c2ccccc2)cn1 ZINC000014949896 561745281 /nfs/dbraw/zinc/74/52/81/561745281.db2.gz UNJOGPMWYNVEAP-UHFFFAOYSA-N 0 0 515.574 3.525 1 0 KHAFRN CC(C)N(Cc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949981 561745326 /nfs/dbraw/zinc/74/53/26/561745326.db2.gz QVQZHWGMGSPGNN-UUOWRZLLSA-N 0 0 529.062 3.593 1 0 KHAFRN CC(C)N(Cc1cccnc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949984 561745319 /nfs/dbraw/zinc/74/53/19/561745319.db2.gz QQLOMOCVBWOICY-UUOWRZLLSA-N 0 0 529.062 3.593 1 0 KHAFRN CC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949989 561745321 /nfs/dbraw/zinc/74/53/21/561745321.db2.gz WDWBAVTWZNDXDI-UUOWRZLLSA-N 0 0 529.062 3.593 1 0 KHAFRN CC(C)N(CCc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949993 561745351 /nfs/dbraw/zinc/74/53/51/561745351.db2.gz DMXBLIZKSSZALH-DFBJGRDBSA-N 0 0 543.089 3.636 1 0 KHAFRN CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950047 561745476 /nfs/dbraw/zinc/74/54/76/561745476.db2.gz IWGAIPIVZUEJCP-LVXARBLLSA-N 0 0 557.116 3.897 1 0 KHAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccncc4S(N)(=O)=O)cc3F)cc12 ZINC000014950380 561745506 /nfs/dbraw/zinc/74/55/06/561745506.db2.gz SIRYBZWAPDLBNE-UHFFFAOYSA-N 0 0 561.477 3.715 1 0 KHAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4S(N)(=O)=O)c3C2=O)cc1 ZINC000014950610 561745645 /nfs/dbraw/zinc/74/56/45/561745645.db2.gz VOJVOHLWWXOWOA-UHFFFAOYSA-N 0 0 590.605 3.812 1 0 KHAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(S(N)(=O)=O)c1 ZINC000014950627 561745634 /nfs/dbraw/zinc/74/56/34/561745634.db2.gz XZGQFOLYJWIPPP-UHFFFAOYSA-N 0 0 620.631 3.821 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cccc(F)c3)C(=O)O2)cc1 ZINC000014951322 561745988 /nfs/dbraw/zinc/74/59/88/561745988.db2.gz ZMGRSVYTEJGXPC-NHKHRBQYSA-N 0 0 613.708 3.595 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccc(F)c(F)c3)C(=O)O2)cc1 ZINC000014951327 561746003 /nfs/dbraw/zinc/74/60/03/561746003.db2.gz LAEBWIYUPGQNFS-NHKHRBQYSA-N 0 0 631.698 3.734 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cccc(F)c3)C(=O)O2)cc1F ZINC000014951407 561746145 /nfs/dbraw/zinc/74/61/45/561746145.db2.gz ZNYKWJFUQGHVRX-GKRYNVPLSA-N 0 0 631.698 3.734 1 0 KHAFRN Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(Br)cc2)Cc2ccccc2)c1 ZINC000014952247 561746246 /nfs/dbraw/zinc/74/62/46/561746246.db2.gz IJCDWDJDJPZXSX-UHFFFAOYSA-N 0 0 543.491 3.814 1 0 KHAFRN CCn1c2cc(Oc3cccc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954314 561746900 /nfs/dbraw/zinc/74/69/00/561746900.db2.gz RVNULYPXBDRAQO-UHFFFAOYSA-N 0 0 526.557 3.965 1 0 KHAFRN CCn1c2cc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954326 561746918 /nfs/dbraw/zinc/74/69/18/561746918.db2.gz KVIMVKMFYDMNIY-UHFFFAOYSA-N 0 0 540.584 3.960 1 0 KHAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(F)c32)CC1 ZINC000014955852 561747452 /nfs/dbraw/zinc/74/74/52/561747452.db2.gz JOCGRWHRWNIISC-RUZDIDTESA-N 0 0 545.840 3.845 1 0 KHAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(F)c32)CC1 ZINC000014955856 561747507 /nfs/dbraw/zinc/74/75/07/561747507.db2.gz JOCGRWHRWNIISC-VWLOTQADSA-N 0 0 545.840 3.845 1 0 KHAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)c(F)c3CCc3cc(Br)cnc32)CC1 ZINC000014955864 561747456 /nfs/dbraw/zinc/74/74/56/561747456.db2.gz LOABUZOKOOMJLS-RUZDIDTESA-N 0 0 545.840 3.845 1 0 KHAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)c(F)c3CCc3cc(Br)cnc32)CC1 ZINC000014955868 561747437 /nfs/dbraw/zinc/74/74/37/561747437.db2.gz LOABUZOKOOMJLS-VWLOTQADSA-N 0 0 545.840 3.845 1 0 KHAFRN CCCc1cc(-c2ccccc2)cc(CCC)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956367 561747590 /nfs/dbraw/zinc/74/75/90/561747590.db2.gz NTSDFQBCKBKNJW-UHFFFAOYSA-N 0 0 558.731 3.835 1 0 KHAFRN Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956376 561747606 /nfs/dbraw/zinc/74/76/06/561747606.db2.gz XLKOPUNLSAOKDW-UHFFFAOYSA-N 0 0 564.694 3.905 1 0 KHAFRN Cc1cc(-c2ccccc2)[n+](-c2ccc(S(=O)(=O)[N-]c3nnc(S(N)(=O)=O)s3)cc2)c(-c2ccccc2)c1 ZINC000014956399 561747609 /nfs/dbraw/zinc/74/76/09/561747609.db2.gz HFSQGUSWDXVGSO-UHFFFAOYSA-N 0 0 564.694 3.905 1 0 KHAFRN NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc(-[n+]3c(-c4ccccc4)cccc3-c3ccccc3)cc2)s1 ZINC000014956403 561747631 /nfs/dbraw/zinc/74/76/31/561747631.db2.gz OZFRFGQPSWWRFN-UHFFFAOYSA-N 0 0 550.667 3.597 1 0 KHAFRN C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014960453 561748350 /nfs/dbraw/zinc/74/83/50/561748350.db2.gz PTQRJCCBUDSHTQ-WHLCRQNOSA-N 0 0 541.645 3.716 1 0 in-vitro KHAFRN CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000014961833 561748462 /nfs/dbraw/zinc/74/84/62/561748462.db2.gz NGFARXMOSBGKMH-IHJXWSBQSA-N 0 0 538.661 3.716 1 0 KHAFRN COCCCN1C(=O)COc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000014966576 561749981 /nfs/dbraw/zinc/74/99/81/561749981.db2.gz WKNXTOXSVTVKNH-HHHXNRCGSA-N 0 0 619.715 3.827 1 0 KHAFRN COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(=O)[O-])C(C)C)C(C)C)ccc1OC ZINC000014967738 561750242 /nfs/dbraw/zinc/75/02/42/561750242.db2.gz LRZFGPAQWQGXCX-QORCZRPOSA-N 0 0 552.753 3.893 1 0 KHAFRN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2)cc1 ZINC000014969552 561750702 /nfs/dbraw/zinc/75/07/02/561750702.db2.gz MJEWRMPWUXPMDB-UHFFFAOYSA-N 0 0 522.549 3.702 1 0 KHAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000014971417 561751180 /nfs/dbraw/zinc/75/11/80/561751180.db2.gz ZUPMPYFEIHADDD-MHZLTWQESA-N 0 0 508.663 3.829 1 0 KHAFRN COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CO)CN2CCc3cc(F)ccc32)c1 ZINC000014971522 561751194 /nfs/dbraw/zinc/75/11/94/561751194.db2.gz MVXHEBDPHVJIEJ-RSXGOPAZSA-N 0 0 511.638 3.833 1 0 KHAFRN CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000014971703 561751318 /nfs/dbraw/zinc/75/13/18/561751318.db2.gz BVNIEHLGKBDVDH-GGAORHGYSA-N 0 0 591.693 3.752 1 0 KHAFRN CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000014971707 561751293 /nfs/dbraw/zinc/75/12/93/561751293.db2.gz BVNIEHLGKBDVDH-FYYLOGMGSA-N 0 0 591.693 3.752 1 0 KHAFRN C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000014971894 561751407 /nfs/dbraw/zinc/75/14/07/561751407.db2.gz ZRSFBDGSGFINTI-CYFREDJKSA-N 0 0 537.698 3.634 1 0 KHAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 ZINC000014971974 561751411 /nfs/dbraw/zinc/75/14/11/561751411.db2.gz DITGRIWHUBIIMM-UWJYYQICSA-N 0 0 500.562 3.883 1 0 KHAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1 ZINC000014972008 561751412 /nfs/dbraw/zinc/75/14/12/561751412.db2.gz RFIOGZCCMRDOHV-AVRDEDQJSA-N 0 0 540.608 3.846 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O ZINC000014972286 561751454 /nfs/dbraw/zinc/75/14/54/561751454.db2.gz GOTZNCLHSRNFBO-IARZGTGTSA-N 0 0 608.736 3.907 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O ZINC000014972291 561751451 /nfs/dbraw/zinc/75/14/51/561751451.db2.gz GOTZNCLHSRNFBO-KCHLEUMXSA-N 0 0 608.736 3.907 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O ZINC000014972306 561751468 /nfs/dbraw/zinc/75/14/68/561751468.db2.gz XGOULJOKRIZKRT-PKTNWEFCSA-N 0 0 608.736 3.955 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O ZINC000014972311 561751503 /nfs/dbraw/zinc/75/15/03/561751503.db2.gz XGOULJOKRIZKRT-KCHLEUMXSA-N 0 0 608.736 3.955 1 0 KHAFRN Cc1ccc(C[C@@H](CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973195 561751889 /nfs/dbraw/zinc/75/18/89/561751889.db2.gz RMOKHHQCLRLRLE-NRFANRHFSA-N 0 0 506.640 3.921 1 0 KHAFRN Cc1ccc(C[C@H](CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973199 561751901 /nfs/dbraw/zinc/75/19/01/561751901.db2.gz RMOKHHQCLRLRLE-OAQYLSRUSA-N 0 0 506.640 3.921 1 0 KHAFRN CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S(=O)(=O)[C@@H]3CC[C@H](O)C3)c2c(=O)n(C)c1=O ZINC000014977680 561752490 /nfs/dbraw/zinc/75/24/90/561752490.db2.gz KLVPSHRCXIALKY-JKSUJKDBSA-N 0 0 544.617 3.714 1 0 KHAFRN CCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1 ZINC000014978232 561752651 /nfs/dbraw/zinc/75/26/51/561752651.db2.gz LFSMDCYQBOCYQC-UHFFFAOYSA-N 0 0 503.694 3.608 1 0 KHAFRN CCCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1 ZINC000014978235 561752686 /nfs/dbraw/zinc/75/26/86/561752686.db2.gz XOMUQLAAMXZNKY-UHFFFAOYSA-N 0 0 517.721 3.999 1 0 KHAFRN COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000014978247 561752668 /nfs/dbraw/zinc/75/26/68/561752668.db2.gz HUFDTAOWQFDPCG-UHFFFAOYSA-N 0 0 517.655 3.951 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(F)(F)c1cc(OC)c(OC)c(OC)c1 ZINC000014980526 581099988 /nfs/dbraw/zinc/09/99/88/581099988.db2.gz OTVHRIZLQYAOCD-GLDPYIMESA-N 0 0 546.567 3.711 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(F)(F)c1cc(OC)c(OC)c(OC)c1 ZINC000014980529 581099884 /nfs/dbraw/zinc/09/98/84/581099884.db2.gz OTVHRIZLQYAOCD-XLNZFTOWSA-N 0 0 546.567 3.711 1 0 KHAFRN COc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2 ZINC000016051696 561753709 /nfs/dbraw/zinc/75/37/09/561753709.db2.gz PTPZSJCARURTEJ-KSRBKZBZSA-N 0 0 562.660 3.567 1 0 KHAFRN Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(O)c1CC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000016051814 561753730 /nfs/dbraw/zinc/75/37/30/561753730.db2.gz KWJVADNYZMUTJY-UHFFFAOYSA-N 0 0 502.596 3.798 1 0 in-vitro KHAFRN COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC2CCCCC2)CN3c2ccccc2)cc1 ZINC000016647001 561754184 /nfs/dbraw/zinc/75/41/84/561754184.db2.gz RWRNVMNTBPIOAQ-UHFFFAOYSA-N 0 0 518.658 3.673 1 0 KHAFRN COc1cc(C=C2CN(C)CC3C2=NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000016958654 561754121 /nfs/dbraw/zinc/75/41/21/561754121.db2.gz XTIAFHJEZZRZLA-NYRBYKDPSA-N 0 0 527.643 3.540 1 0 KHAFRN Cc1cn([C@@H]2C[C@@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O ZINC000017176238 561754149 /nfs/dbraw/zinc/75/41/49/561754149.db2.gz ZAKKKLNPSKOUDL-AQNXPRMDSA-N 0 0 519.337 3.522 1 0 KHAFRN Cc1cn([C@@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O ZINC000017176240 561754290 /nfs/dbraw/zinc/75/42/90/561754290.db2.gz ZAKKKLNPSKOUDL-ZCNNSNEGSA-N 0 0 519.337 3.522 1 0 KHAFRN CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000017217051 561754409 /nfs/dbraw/zinc/75/44/09/561754409.db2.gz SJEOLIGCEZZSJQ-MUGJNUQGSA-N 0 0 500.400 3.576 1 0 KHAFRN Cc1ccc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000020576163 561758675 /nfs/dbraw/zinc/75/86/75/561758675.db2.gz GFYQPXSUGSSZHL-UHFFFAOYSA-N 0 0 511.667 3.666 1 0 KHAFRN COc1ccccc1-c1ccc(C(=O)N(C)C[C@@H]2COCCO2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020598859 561758730 /nfs/dbraw/zinc/75/87/30/561758730.db2.gz CUACAPNCAREWDQ-OAQYLSRUSA-N 0 0 520.605 3.710 1 0 KHAFRN COc1ccccc1-c1ccc(C(=O)N(C)C[C@H]2COCCO2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020598860 561758767 /nfs/dbraw/zinc/75/87/67/561758767.db2.gz CUACAPNCAREWDQ-NRFANRHFSA-N 0 0 520.605 3.710 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(Cl)c(OC)c(OC)c1 ZINC000021290020 561758941 /nfs/dbraw/zinc/75/89/41/561758941.db2.gz JSRBLTDXTLVOCZ-UHFFFAOYSA-N 0 0 573.042 3.731 1 0 KHAFRN O[C@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022449007 561759232 /nfs/dbraw/zinc/75/92/32/561759232.db2.gz DDHVXIXIAVLSIM-IZZNHLLZSA-N 0 0 564.637 3.951 1 0 KHAFRN COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCN(C)CC3)o2)ccc1-c1cnco1 ZINC000022925764 561759747 /nfs/dbraw/zinc/75/97/47/561759747.db2.gz KFYZDFDWDAHEME-UHFFFAOYSA-N 0 0 502.575 3.959 1 0 KHAFRN O=C([O-])CCC(=O)N(CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000022930591 561760213 /nfs/dbraw/zinc/76/02/13/561760213.db2.gz PUSYKFULBVBEBE-UHFFFAOYSA-N 0 0 516.086 3.801 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@@H](C)c4cccc5ccccc54)CC3)ccc2s1 ZINC000022932385 561760262 /nfs/dbraw/zinc/76/02/62/561760262.db2.gz VVBWFPHSMNKWQI-NZQKXSOJSA-N 0 0 518.683 3.993 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@H](C)c4ccc5ccccc5c4)CC3)ccc2s1 ZINC000022932389 561760330 /nfs/dbraw/zinc/76/03/30/561760330.db2.gz ZFBBPHDPDPYJOR-CJFMBICVSA-N 0 0 518.683 3.993 1 0 KHAFRN Cn1cnc2c1ncnc2SC[C@@H](O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022935785 561760660 /nfs/dbraw/zinc/76/06/60/561760660.db2.gz SDZJCFAZEVSVNM-QFIPXVFZSA-N 0 0 510.614 3.502 1 0 KHAFRN Cn1cnc2c1ncnc2SC[C@H](O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022935788 561760589 /nfs/dbraw/zinc/76/05/89/561760589.db2.gz SDZJCFAZEVSVNM-JOCHJYFZSA-N 0 0 510.614 3.502 1 0 KHAFRN Nc1nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc(N)c1Cc1ccccc1O ZINC000022941224 561761032 /nfs/dbraw/zinc/76/10/32/561761032.db2.gz MGMQIFVAAJMROY-UHFFFAOYSA-N 0 0 518.609 3.866 1 0 KHAFRN O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1C(=O)NCc1ccccc1 ZINC000022941532 561761046 /nfs/dbraw/zinc/76/10/46/561761046.db2.gz WNYJACXWJDHSMQ-MHZLTWQESA-N 0 0 503.046 3.732 1 0 KHAFRN Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941910 561761255 /nfs/dbraw/zinc/76/12/55/561761255.db2.gz DCQTZTFWQIEXHS-VXKWHMMOSA-N 0 0 513.704 3.866 1 0 KHAFRN O[C@@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257029 561761659 /nfs/dbraw/zinc/76/16/59/561761659.db2.gz DDHVXIXIAVLSIM-FTJBHMTQSA-N 0 0 564.637 3.951 1 0 KHAFRN O[C@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257033 561761577 /nfs/dbraw/zinc/76/15/77/561761577.db2.gz DDHVXIXIAVLSIM-UIOOFZCWSA-N 0 0 564.637 3.951 1 0 KHAFRN O[C@@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257036 561761675 /nfs/dbraw/zinc/76/16/75/561761675.db2.gz DDHVXIXIAVLSIM-CLJLJLNGSA-N 0 0 564.637 3.951 1 0 KHAFRN CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NC(C)C)C(C)C ZINC000024819086 561762491 /nfs/dbraw/zinc/76/24/91/561762491.db2.gz BJOCXJJVELLFKM-LLWRDSBASA-N 0 0 701.931 3.770 1 0 in-vivo KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccc(C(C)=O)cc3)C(=O)O2)cc1 ZINC000024832394 561762424 /nfs/dbraw/zinc/76/24/24/561762424.db2.gz BUJKGFQFFGUYEM-YPKYBTACSA-N 0 0 637.755 3.658 1 0 in-vitro KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cccc(C(C)=O)c3)C(=O)O2)cc1 ZINC000024832443 561762457 /nfs/dbraw/zinc/76/24/57/561762457.db2.gz SLMZIXVIEWNEAM-YPKYBTACSA-N 0 0 637.755 3.658 1 0 in-vitro KHAFRN CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(C)=O)c2)C(=O)O1)C(C)C ZINC000024909856 561762580 /nfs/dbraw/zinc/76/25/80/561762580.db2.gz CZPLKLADANMGQQ-JUZBSFEJSA-N 0 0 656.780 3.581 1 0 in-vitro KHAFRN CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)N1CCCNC1=O ZINC000024909912 561762612 /nfs/dbraw/zinc/76/26/12/561762612.db2.gz YTEURAFEAFHROU-FLIXOAOSSA-N 0 0 655.796 3.658 1 0 in-vitro KHAFRN CCC(C)(C)NC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025962802 561762860 /nfs/dbraw/zinc/76/28/60/561762860.db2.gz LKBCROIQZFFNCS-NRFANRHFSA-N 0 0 617.696 3.620 1 0 KHAFRN CCC(C)(C)NC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025962807 561762840 /nfs/dbraw/zinc/76/28/40/561762840.db2.gz LKBCROIQZFFNCS-OAQYLSRUSA-N 0 0 617.696 3.620 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)COc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000025962813 561762841 /nfs/dbraw/zinc/76/28/41/561762841.db2.gz XESVLIGJOTXWMD-HSZRJFAPSA-N 0 0 673.115 3.981 1 0 KHAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](COC(=O)COc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000025962818 561762868 /nfs/dbraw/zinc/76/28/68/561762868.db2.gz XESVLIGJOTXWMD-QHCPKHFHSA-N 0 0 673.115 3.981 1 0 KHAFRN CCCN(CCC)C(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025963764 561763007 /nfs/dbraw/zinc/76/30/07/561763007.db2.gz HZWQZAAOTLGOMR-QHCPKHFHSA-N 0 0 631.723 3.964 1 0 KHAFRN CCCN(CCC)C(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025963770 561763013 /nfs/dbraw/zinc/76/30/13/561763013.db2.gz HZWQZAAOTLGOMR-HSZRJFAPSA-N 0 0 631.723 3.964 1 0 KHAFRN COc1cc(NC(=O)OC[C@@H]2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000025964017 561763045 /nfs/dbraw/zinc/76/30/45/561763045.db2.gz WKNNLSGOPCKNBX-QHCPKHFHSA-N 0 0 713.737 3.980 1 0 KHAFRN COc1cc(NC(=O)OC[C@H]2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000025964023 561763009 /nfs/dbraw/zinc/76/30/09/561763009.db2.gz WKNNLSGOPCKNBX-HSZRJFAPSA-N 0 0 713.737 3.980 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(Br)cc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000025995609 561765019 /nfs/dbraw/zinc/76/50/19/561765019.db2.gz YTCORRDZXGSXAP-UHFFFAOYSA-N 0 0 642.580 3.617 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(NC(=O)OC(C)(C)C)cc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000025996027 561765061 /nfs/dbraw/zinc/76/50/61/561765061.db2.gz DHGYAUGPPYWCAV-UHFFFAOYSA-N 0 0 661.760 3.574 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4c(F)c(F)c(F)c(F)c4F)cc3)nc2c(=O)n(CCC)c1=O ZINC000026001325 561765396 /nfs/dbraw/zinc/76/53/96/561765396.db2.gz FDKYNFWPKTZWCB-UHFFFAOYSA-N 0 0 653.634 3.550 1 0 KHAFRN CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C)C(=O)OCc1ccccc1 ZINC000026010942 561765813 /nfs/dbraw/zinc/76/58/13/561765813.db2.gz ISARCZZWLUXAEL-HKBQPEDESA-N 0 0 539.588 3.891 1 0 KHAFRN CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C)C(=O)OCc1ccccc1 ZINC000026010949 561765818 /nfs/dbraw/zinc/76/58/18/561765818.db2.gz ISARCZZWLUXAEL-WJOKGBTCSA-N 0 0 539.588 3.891 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3cc4c(c(OC)c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000026011430 561765809 /nfs/dbraw/zinc/76/58/09/561765809.db2.gz ABTJDYUDDLHWCG-GDLZYMKVSA-N 0 0 536.533 3.857 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3cc4c(c(OC)c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000026011437 561765826 /nfs/dbraw/zinc/76/58/26/561765826.db2.gz ABTJDYUDDLHWCG-LJAQVGFWSA-N 0 0 536.533 3.857 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cccs1)C(=O)C(F)(F)F ZINC000026011882 561765911 /nfs/dbraw/zinc/76/59/11/561765911.db2.gz NDYHIYRSABAECL-LJQANCHMSA-N 0 0 536.532 3.993 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cccs1)C(=O)C(F)(F)F ZINC000026011891 561765951 /nfs/dbraw/zinc/76/59/51/561765951.db2.gz NDYHIYRSABAECL-IBGZPJMESA-N 0 0 536.532 3.993 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1ccccc1)NS(C)(=O)=O ZINC000026014559 561766160 /nfs/dbraw/zinc/76/61/60/561766160.db2.gz MHLMKDJQHGBBGA-YTCPBCGMSA-N 0 0 611.830 3.697 1 0 KHAFRN CC(=O)N[C@@H](C[S@@](=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000026015127 561766119 /nfs/dbraw/zinc/76/61/19/561766119.db2.gz PRXUMCUDESSVFA-GRURLQSASA-N 0 0 628.795 3.707 1 0 KHAFRN CC(=O)N[C@@H](C[S@](=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000026015133 561766125 /nfs/dbraw/zinc/76/61/25/561766125.db2.gz PRXUMCUDESSVFA-BIIRPHAJSA-N 0 0 628.795 3.707 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@@](=O)c1cccc2ccccc21)NS(C)(=O)=O ZINC000026015505 561766193 /nfs/dbraw/zinc/76/61/93/561766193.db2.gz SZMMNWFCIRPMAP-GRURLQSASA-N 0 0 663.862 3.725 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@](=O)c1cccc2ccccc21)NS(C)(=O)=O ZINC000026015512 561766185 /nfs/dbraw/zinc/76/61/85/561766185.db2.gz SZMMNWFCIRPMAP-BIIRPHAJSA-N 0 0 663.862 3.725 1 0 KHAFRN CCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000026015930 561766361 /nfs/dbraw/zinc/76/63/61/561766361.db2.gz MWTLGNMPHNFVEX-OIFRRMEBSA-N 0 0 601.744 3.874 1 0 KHAFRN CC(=O)N[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000026016173 561766360 /nfs/dbraw/zinc/76/63/60/561766360.db2.gz FOPJEVCXMWTXGE-XFCANUNOSA-N 0 0 643.806 3.978 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccccc1)NS(C)(=O)=O ZINC000026016556 561766346 /nfs/dbraw/zinc/76/63/46/561766346.db2.gz DJJZZILHCJBKNQ-HZFUHODCSA-N 0 0 597.803 3.556 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccccc1)C(=O)C(F)(F)F ZINC000026016828 561766354 /nfs/dbraw/zinc/76/63/54/561766354.db2.gz BFNZFBYPMNQUED-OAQYLSRUSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccccc1)C(=O)C(F)(F)F ZINC000026016836 561766351 /nfs/dbraw/zinc/76/63/51/561766351.db2.gz BFNZFBYPMNQUED-NRFANRHFSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@@](=O)c1ccc(C(F)(F)F)cc1)NS(C)(=O)=O ZINC000026018026 561766445 /nfs/dbraw/zinc/76/64/45/561766445.db2.gz NPLFNBJIFTVVCM-BVNZWBLDSA-N 0 0 681.799 3.590 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@](=O)c1ccc(C(F)(F)F)cc1)NS(C)(=O)=O ZINC000026018034 561766421 /nfs/dbraw/zinc/76/64/21/561766421.db2.gz NPLFNBJIFTVVCM-QZHLKIOFSA-N 0 0 681.799 3.590 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccc(N)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026018357 561766543 /nfs/dbraw/zinc/76/65/43/561766543.db2.gz NYZPUCRKHRLWBT-OAQYLSRUSA-N 0 0 545.518 3.513 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccc(N)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026018364 561766536 /nfs/dbraw/zinc/76/65/36/561766536.db2.gz NYZPUCRKHRLWBT-NRFANRHFSA-N 0 0 545.518 3.513 1 0 KHAFRN COC(=O)Nc1nc2cc(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)c5ccc6[nH]c(NC(=O)OC)nc6c5)cc4)cc3)ccc2[nH]1 ZINC000026018390 561766551 /nfs/dbraw/zinc/76/65/51/561766551.db2.gz QCJXRKCVQMESGY-UHFFFAOYSA-N 0 0 682.675 3.977 1 0 KHAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccc(F)cc1)NS(C)(=O)=O ZINC000026018432 561766532 /nfs/dbraw/zinc/76/65/32/561766532.db2.gz BEPIELKYWZFGIL-HZFUHODCSA-N 0 0 615.793 3.695 1 0 KHAFRN COc1ccc(SC[C@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)Cc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000026018692 561766545 /nfs/dbraw/zinc/76/65/45/561766545.db2.gz JZFOEBZUSWFYSE-YTCPBCGMSA-N 0 0 627.829 3.565 1 0 KHAFRN COc1ccc(-c2ncc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1 ZINC000026018881 561766524 /nfs/dbraw/zinc/76/65/24/561766524.db2.gz LIZZXCKWHYAOJO-QFIPXVFZSA-N 0 0 560.529 3.940 1 0 KHAFRN COc1ccc(-c2ncc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)cc1 ZINC000026018889 561766525 /nfs/dbraw/zinc/76/65/25/561766525.db2.gz LIZZXCKWHYAOJO-JOCHJYFZSA-N 0 0 560.529 3.940 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OC(C)(C)C)cnc1-c1cccs1)C(=O)C(F)(F)F ZINC000026019277 561766651 /nfs/dbraw/zinc/76/66/51/561766651.db2.gz LITRZMIXQVPVKF-OAHLLOKOSA-N 0 0 502.515 3.591 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OC(C)(C)C)cnc1-c1cccs1)C(=O)C(F)(F)F ZINC000026019284 561766631 /nfs/dbraw/zinc/76/66/31/561766631.db2.gz LITRZMIXQVPVKF-HNNXBMFYSA-N 0 0 502.515 3.591 1 0 KHAFRN CC(C)Cn1c2[nH]c(Cc3ccc(Br)cc3)nc2c(=O)n(Cc2cccc3c2OCO3)c1=O ZINC000026143378 561766932 /nfs/dbraw/zinc/76/69/32/561766932.db2.gz DFVIYNIJTWNYCG-UHFFFAOYSA-N 0 0 511.376 3.673 1 0 KHAFRN COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC)O1)OC ZINC000026143485 561766912 /nfs/dbraw/zinc/76/69/12/561766912.db2.gz BQCVETMJXUHQQP-PCZLDFFVSA-N 0 0 605.769 3.955 1 0 KHAFRN CC(C)CCNC(=O)[C@@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026146649 561767311 /nfs/dbraw/zinc/76/73/11/561767311.db2.gz COCDSOIMARBICK-XJVHMKQHSA-N 0 0 712.933 3.693 1 0 KHAFRN COc1ccc(CNC(=O)[C@H](c2ccc(OC)cc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148709 561767446 /nfs/dbraw/zinc/76/74/46/561767446.db2.gz IEVVYPISJHIIEY-OFSOJUDTSA-N 0 0 547.696 3.736 1 0 KHAFRN COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148718 561767421 /nfs/dbraw/zinc/76/74/21/561767421.db2.gz IEVVYPISJHIIEY-POURPWNDSA-N 0 0 547.696 3.736 1 0 KHAFRN COc1ccc(CNC(=O)[C@H](c2ccc(OC)cc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148721 561767432 /nfs/dbraw/zinc/76/74/32/561767432.db2.gz IEVVYPISJHIIEY-FIBWVYCGSA-N 0 0 547.696 3.736 1 0 KHAFRN COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148727 561767460 /nfs/dbraw/zinc/76/74/60/561767460.db2.gz IEVVYPISJHIIEY-BHBYDHKZSA-N 0 0 547.696 3.736 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccccc1 ZINC000026150267 561767567 /nfs/dbraw/zinc/76/75/67/561767567.db2.gz VSPFTTLGBQIAGY-RKKDRKJOSA-N 0 0 709.800 3.563 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1 ZINC000026150275 561767525 /nfs/dbraw/zinc/76/75/25/561767525.db2.gz VSPFTTLGBQIAGY-PZWMIYICSA-N 0 0 709.800 3.563 1 0 KHAFRN CN(C(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000026150285 561767535 /nfs/dbraw/zinc/76/75/35/561767535.db2.gz HKNIKNNEHMJCMH-PZWMIYICSA-N 0 0 711.816 3.679 1 0 KHAFRN COc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150310 561767557 /nfs/dbraw/zinc/76/75/57/561767557.db2.gz MAHIHXILBQDWFG-SHQCIBLASA-N 0 0 524.061 3.877 1 0 KHAFRN COc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150321 561767564 /nfs/dbraw/zinc/76/75/64/561767564.db2.gz MAHIHXILBQDWFG-SQHAQQRYSA-N 0 0 524.061 3.877 1 0 KHAFRN COc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150329 561767542 /nfs/dbraw/zinc/76/75/42/561767542.db2.gz MAHIHXILBQDWFG-RPLLCQBOSA-N 0 0 524.061 3.877 1 0 KHAFRN COc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150337 561767536 /nfs/dbraw/zinc/76/75/36/561767536.db2.gz MAHIHXILBQDWFG-IGKIAQTJSA-N 0 0 524.061 3.877 1 0 KHAFRN CCOP(=O)(OCC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026152397 561767773 /nfs/dbraw/zinc/76/77/73/561767773.db2.gz HIALZTMUNUZIFF-NJBJSMFESA-N 0 0 670.810 3.527 1 0 KHAFRN CCOP(=O)(OCC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026152404 561767832 /nfs/dbraw/zinc/76/78/32/561767832.db2.gz HIALZTMUNUZIFF-YRUYCOJQSA-N 0 0 670.810 3.527 1 0 KHAFRN COc1ccc(C[C@@](C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)N[C@H](CO)[C@H](O)c2ccccc2)cc1 ZINC000026159280 561768365 /nfs/dbraw/zinc/76/83/65/561768365.db2.gz WFHLXQCIZRXBSB-SYTVVHBPSA-N 0 0 536.669 3.758 1 0 KHAFRN COc1ccc(C[C@](C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)N[C@H](CO)[C@H](O)c2ccccc2)cc1 ZINC000026159287 561768346 /nfs/dbraw/zinc/76/83/46/561768346.db2.gz WFHLXQCIZRXBSB-XZTQXXSPSA-N 0 0 536.669 3.758 1 0 KHAFRN COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159397 561768388 /nfs/dbraw/zinc/76/83/88/561768388.db2.gz MKEWYBFIYZBBHN-LEAFIULHSA-N 0 0 524.061 3.877 1 0 KHAFRN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159407 561768326 /nfs/dbraw/zinc/76/83/26/561768326.db2.gz MKEWYBFIYZBBHN-NAKRPHOHSA-N 0 0 524.061 3.877 1 0 KHAFRN COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159415 561768385 /nfs/dbraw/zinc/76/83/85/561768385.db2.gz MKEWYBFIYZBBHN-LBNVMWSVSA-N 0 0 524.061 3.877 1 0 KHAFRN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159424 561768353 /nfs/dbraw/zinc/76/83/53/561768353.db2.gz MKEWYBFIYZBBHN-LSYYVWMOSA-N 0 0 524.061 3.877 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1 ZINC000026163251 561768796 /nfs/dbraw/zinc/76/87/96/561768796.db2.gz ADKKRGJSHOWGCZ-YPKYBTACSA-N 0 0 732.234 3.990 1 0 KHAFRN O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000026163870 561768925 /nfs/dbraw/zinc/76/89/25/561768925.db2.gz GTBBDUUGZFMWKC-XAXKJMDRSA-N 0 0 573.433 3.902 1 0 KHAFRN O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000026163880 561768963 /nfs/dbraw/zinc/76/89/63/561768963.db2.gz GTBBDUUGZFMWKC-OSADXMDESA-N 0 0 573.433 3.902 1 0 KHAFRN CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)P(=O)(OC)OC ZINC000026165076 561768941 /nfs/dbraw/zinc/76/89/41/561768941.db2.gz RNXVUDRBQHKUFO-NJBJSMFESA-N 0 0 638.743 3.574 1 0 KHAFRN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccccc2)N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165381 561769085 /nfs/dbraw/zinc/76/90/85/561769085.db2.gz PMSAMVJYHNSFSW-SHQCIBLASA-N 0 0 634.593 3.543 1 0 KHAFRN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165386 561769106 /nfs/dbraw/zinc/76/91/06/561769106.db2.gz PMSAMVJYHNSFSW-SQHAQQRYSA-N 0 0 634.593 3.543 1 0 KHAFRN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccccc2)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165391 561769095 /nfs/dbraw/zinc/76/90/95/561769095.db2.gz PMSAMVJYHNSFSW-RPLLCQBOSA-N 0 0 634.593 3.543 1 0 KHAFRN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165396 561769093 /nfs/dbraw/zinc/76/90/93/561769093.db2.gz PMSAMVJYHNSFSW-IGKIAQTJSA-N 0 0 634.593 3.543 1 0 KHAFRN COc1ccc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165886 561769140 /nfs/dbraw/zinc/76/91/40/561769140.db2.gz HMLQTQMYJXPNPS-PXJZQJOASA-N 0 0 535.660 3.866 1 0 KHAFRN COc1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165892 561769211 /nfs/dbraw/zinc/76/92/11/561769211.db2.gz HMLQTQMYJXPNPS-XRKRLSELSA-N 0 0 535.660 3.866 1 0 KHAFRN COc1ccc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165897 561769200 /nfs/dbraw/zinc/76/92/00/561769200.db2.gz HMLQTQMYJXPNPS-YTMVLYRLSA-N 0 0 535.660 3.866 1 0 KHAFRN COc1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165902 561769215 /nfs/dbraw/zinc/76/92/15/561769215.db2.gz HMLQTQMYJXPNPS-LMSSTIIKSA-N 0 0 535.660 3.866 1 0 KHAFRN Cc1cccc(C)c1OC[C@@H](O)CN1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165912 561769179 /nfs/dbraw/zinc/76/91/79/561769179.db2.gz LZLFVPXCZHSLNT-WUFINQPMSA-N 0 0 505.634 3.858 1 0 KHAFRN Cc1cccc(C)c1OC[C@H](O)CN1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165917 561769154 /nfs/dbraw/zinc/76/91/54/561769154.db2.gz LZLFVPXCZHSLNT-VSGBNLITSA-N 0 0 505.634 3.858 1 0 KHAFRN Cc1cccc(C)c1OC[C@@H](O)CN1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165923 561769240 /nfs/dbraw/zinc/76/92/40/561769240.db2.gz LZLFVPXCZHSLNT-NSOVKSMOSA-N 0 0 505.634 3.858 1 0 KHAFRN Cc1cccc(C)c1OC[C@H](O)CN1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165928 561769163 /nfs/dbraw/zinc/76/91/63/561769163.db2.gz LZLFVPXCZHSLNT-IZLXSDGUSA-N 0 0 505.634 3.858 1 0 KHAFRN Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)cc1C(=O)NCCN1CCOCC1 ZINC000026169211 561769549 /nfs/dbraw/zinc/76/95/49/561769549.db2.gz AYWSMVYQEPKYGK-UHFFFAOYSA-N 0 0 648.724 3.731 1 0 KHAFRN Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cnc5ccccc5c4)cn3C)cc2)cc1C(=O)NCCN1CCOCC1 ZINC000026169909 561769807 /nfs/dbraw/zinc/76/98/07/561769807.db2.gz LADOLAKJXVWDRY-UHFFFAOYSA-N 0 0 648.724 3.731 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000026170210 561769761 /nfs/dbraw/zinc/76/97/61/561769761.db2.gz DZXLMXMRLWZTQJ-YPKYBTACSA-N 0 0 669.779 3.825 1 0 KHAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000026171526 561769990 /nfs/dbraw/zinc/76/99/90/561769990.db2.gz BATZTEKYDSPYKG-KJNQLLBQSA-N 0 0 559.748 3.688 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1CCCCC1 ZINC000026172596 561770229 /nfs/dbraw/zinc/77/02/29/561770229.db2.gz NHOMFJIJYDQJSG-YPKYBTACSA-N 0 0 703.837 3.717 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cs3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000026172752 561770219 /nfs/dbraw/zinc/77/02/19/561770219.db2.gz QGVFSKKILOEDHF-UHFFFAOYSA-N 0 0 654.753 3.792 1 0 KHAFRN O=C(N[C@H]1[C@H](n2cnc3c2ncnc3NCc2cc(O)cc3ccccc32)O[C@H](CO)[C@H]1O)c1cc(Cl)cc(Cl)c1 ZINC000026175602 561770869 /nfs/dbraw/zinc/77/08/69/561770869.db2.gz YXQWYHVONJXOHK-XABBOIKWSA-N 0 0 595.443 3.653 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cs2)cc1C(=O)NCCN1CCOCC1 ZINC000026176255 561770909 /nfs/dbraw/zinc/77/09/09/561770909.db2.gz JANUTYNYSOAOPC-UHFFFAOYSA-N 0 0 654.753 3.792 1 0 KHAFRN CC1CCN(C(=O)[C@H](CCCNc2ccc(N)cn2)NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026177416 561771108 /nfs/dbraw/zinc/77/11/08/561771108.db2.gz TWQMJZMVWRLJPX-DEOSSOPVSA-N 0 0 538.718 3.681 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000026177853 561771195 /nfs/dbraw/zinc/77/11/95/561771195.db2.gz RVYGXULVCKOQHN-NOMPHJLISA-N 0 0 688.866 3.956 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000026177859 561771152 /nfs/dbraw/zinc/77/11/52/561771152.db2.gz RVYGXULVCKOQHN-DOKLYGBTSA-N 0 0 688.866 3.956 1 0 KHAFRN CCCCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1 ZINC000026177951 561771141 /nfs/dbraw/zinc/77/11/41/561771141.db2.gz MVCHJHBBSIDASY-QDQVXBDLSA-N 0 0 535.534 3.604 1 0 KHAFRN Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)n(C)c1 ZINC000026178827 561771309 /nfs/dbraw/zinc/77/13/09/561771309.db2.gz GLCQCDUBPMZTIU-UHFFFAOYSA-N 0 0 638.150 3.897 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000026179135 561771301 /nfs/dbraw/zinc/77/13/01/561771301.db2.gz REMWHFWKWGUPSX-AEKIIXOMSA-N 0 0 708.856 3.967 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000026179144 561771296 /nfs/dbraw/zinc/77/12/96/561771296.db2.gz REMWHFWKWGUPSX-TVSIWPERSA-N 0 0 708.856 3.967 1 0 KHAFRN Cn1cc(NC(=O)c2cccc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)c2)cc1C(=O)NCCN1CCOCC1 ZINC000026179363 561771383 /nfs/dbraw/zinc/77/13/83/561771383.db2.gz VRERPNHOVJZYBT-UHFFFAOYSA-N 0 0 638.150 3.897 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cccc(NC(=O)c4sccc4Cl)c3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000026179369 561771405 /nfs/dbraw/zinc/77/14/05/561771405.db2.gz ADHCIWMCQBQSMU-UHFFFAOYSA-N 0 0 638.150 3.897 1 0 KHAFRN CCOc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026179562 561771408 /nfs/dbraw/zinc/77/14/08/561771408.db2.gz QLWYZVLNCWQIIO-SIMGMAISSA-N 0 0 589.733 3.815 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H](CO)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026180522 561771637 /nfs/dbraw/zinc/77/16/37/561771637.db2.gz NNLTXVXMGVCNIY-AMSOURPBSA-N 0 0 563.695 3.500 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2ccccc2s1 ZINC000026180590 561771610 /nfs/dbraw/zinc/77/16/10/561771610.db2.gz ASZUNVYZNVUWFW-CYXNTTPDSA-N 0 0 541.673 3.863 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc2ccccc2s1 ZINC000026180595 561771642 /nfs/dbraw/zinc/77/16/42/561771642.db2.gz ASZUNVYZNVUWFW-TWJOJJKGSA-N 0 0 541.673 3.863 1 0 KHAFRN O=C(N[C@H]1[C@H](n2cnc3c2ncnc3NCc2cccc3ccccc32)O[C@H](CO)[C@H]1O)c1cc(Cl)cc(Cl)c1 ZINC000026180605 561771600 /nfs/dbraw/zinc/77/16/00/561771600.db2.gz LYWIXWCSWJSYAM-XABBOIKWSA-N 0 0 579.444 3.948 1 0 KHAFRN Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cc2)cc1C(=O)NCCN1CCOCC1 ZINC000026180709 561771606 /nfs/dbraw/zinc/77/16/06/561771606.db2.gz KPNAAOHKCFCKRV-UHFFFAOYSA-N 0 0 638.150 3.897 1 0 KHAFRN Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4nccc5ccccc54)cn3C)cc2)cc1C(=O)NCCN1CCOCC1 ZINC000026180759 561771769 /nfs/dbraw/zinc/77/17/69/561771769.db2.gz UHHQGDMETUIODV-UHFFFAOYSA-N 0 0 648.724 3.731 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(NC(=O)c4sccc4Cl)cc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000026181276 561771821 /nfs/dbraw/zinc/77/18/21/561771821.db2.gz STOQISZVEQWJIM-UHFFFAOYSA-N 0 0 638.150 3.897 1 0 KHAFRN Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2cccc(C(=O)NCCN3CCOCC3)c2)n(C)c1 ZINC000026181282 561771775 /nfs/dbraw/zinc/77/17/75/561771775.db2.gz YOKXVZGIKWSSCW-UHFFFAOYSA-N 0 0 638.150 3.897 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181295 561771832 /nfs/dbraw/zinc/77/18/32/561771832.db2.gz AJSYTPPNIVWKJN-OCFVUHCMSA-N 0 0 672.827 3.984 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181300 561771835 /nfs/dbraw/zinc/77/18/35/561771835.db2.gz AJSYTPPNIVWKJN-CUEJDAIESA-N 0 0 672.827 3.984 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)cc1 ZINC000026181373 561771782 /nfs/dbraw/zinc/77/17/82/561771782.db2.gz YMNDBCNMYBNUHW-FIWFIFAZSA-N 0 0 736.910 3.886 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)cc1 ZINC000026181378 561771839 /nfs/dbraw/zinc/77/18/39/561771839.db2.gz YMNDBCNMYBNUHW-SRDSEBJDSA-N 0 0 736.910 3.886 1 0 KHAFRN CCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026181552 561771816 /nfs/dbraw/zinc/77/18/16/561771816.db2.gz GPHKXRPREJMHKY-UHFFFAOYSA-N 0 0 536.592 3.693 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 ZINC000026182292 561771952 /nfs/dbraw/zinc/77/19/52/561771952.db2.gz FNKSJGJLRZISIG-WKOFMMCFSA-N 0 0 577.685 3.621 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 ZINC000026182296 561771932 /nfs/dbraw/zinc/77/19/32/561771932.db2.gz FNKSJGJLRZISIG-FGPAUOPCSA-N 0 0 577.685 3.621 1 0 KHAFRN O=C(N[C@H]1[C@@H](O)[C@H](CO)O[C@H]1Cn1cnc2c1ncnc2NCc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 ZINC000026182472 561771984 /nfs/dbraw/zinc/77/19/84/561771984.db2.gz DTXVSSVFKSUBDU-SRNFOCHHSA-N 0 0 593.471 3.818 1 0 KHAFRN O=C(N[C@H]1[C@@H](O)[C@@H](CO)O[C@H]1Cn1cnc2c1ncnc2NCc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 ZINC000026182478 561771955 /nfs/dbraw/zinc/77/19/55/561771955.db2.gz DTXVSSVFKSUBDU-WSKLTFMVSA-N 0 0 593.471 3.818 1 0 KHAFRN O=C(N[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1Cn1cnc2c1ncnc2NCc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 ZINC000026182484 561771989 /nfs/dbraw/zinc/77/19/89/561771989.db2.gz DTXVSSVFKSUBDU-TWZJLLKVSA-N 0 0 593.471 3.818 1 0 KHAFRN O=C(N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1Cn1cnc2c1ncnc2NCc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 ZINC000026182489 561771945 /nfs/dbraw/zinc/77/19/45/561771945.db2.gz DTXVSSVFKSUBDU-GWZVJQKXSA-N 0 0 593.471 3.818 1 0 KHAFRN CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026182652 561772021 /nfs/dbraw/zinc/77/20/21/561772021.db2.gz MWJGDTZPZCVPJM-MFHFOAAOSA-N 0 0 707.979 3.759 1 0 KHAFRN CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026182661 561772086 /nfs/dbraw/zinc/77/20/86/561772086.db2.gz MWJGDTZPZCVPJM-UKTQAJKPSA-N 0 0 707.979 3.759 1 0 KHAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026185777 561772495 /nfs/dbraw/zinc/77/24/95/561772495.db2.gz KOLRIJQNXUCNRR-UHFFFAOYSA-N 0 0 624.701 3.595 1 0 KHAFRN C[C@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO ZINC000026186360 561772652 /nfs/dbraw/zinc/77/26/52/561772652.db2.gz QXNKHEVBYMZJAS-FDYFRICMSA-N 0 0 540.682 3.633 1 0 KHAFRN C[C@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO ZINC000026186365 561772614 /nfs/dbraw/zinc/77/26/14/561772614.db2.gz QXNKHEVBYMZJAS-SALYRNRASA-N 0 0 540.682 3.633 1 0 KHAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccco1)CC2=O ZINC000026187495 561772866 /nfs/dbraw/zinc/77/28/66/561772866.db2.gz GMKOIBXCLFAWRH-OWAUWMPXSA-N 0 0 525.646 3.727 1 0 KHAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccco1)CC2=O ZINC000026187500 561772878 /nfs/dbraw/zinc/77/28/78/561772878.db2.gz GMKOIBXCLFAWRH-WVQWTBLQSA-N 0 0 525.646 3.727 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H](O)CN1C(=O)c1c[nH]c2ccccc12 ZINC000026187743 561772825 /nfs/dbraw/zinc/77/28/25/561772825.db2.gz IORUNTWDFKGPNW-USOMCTOXSA-N 0 0 538.648 3.520 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](O)CN1C(=O)c1c[nH]c2ccccc12 ZINC000026187749 561772929 /nfs/dbraw/zinc/77/29/29/561772929.db2.gz IORUNTWDFKGPNW-SUHSUELASA-N 0 0 538.648 3.520 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](O)CN1C(=O)c1c[nH]c2ccccc12 ZINC000026187756 561773004 /nfs/dbraw/zinc/77/30/04/561773004.db2.gz IORUNTWDFKGPNW-DOUMQJFESA-N 0 0 538.648 3.520 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](O)CN1C(=O)c1c[nH]c2ccccc12 ZINC000026187762 561772990 /nfs/dbraw/zinc/77/29/90/561772990.db2.gz IORUNTWDFKGPNW-TUMTZTIRSA-N 0 0 538.648 3.520 1 0 KHAFRN COc1ccccc1OCCN1CCN(c2cnn(CCCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026188372 561773085 /nfs/dbraw/zinc/77/30/85/561773085.db2.gz OIWADSQAMGYSED-UHFFFAOYSA-N 0 0 601.579 3.972 1 0 KHAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CCP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026189018 561773224 /nfs/dbraw/zinc/77/32/24/561773224.db2.gz SLJAWXMCNAZTFH-UHFFFAOYSA-N 0 0 638.728 3.637 1 0 KHAFRN CCOC(=O)CSCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C ZINC000026189355 561773208 /nfs/dbraw/zinc/77/32/08/561773208.db2.gz SWSOMMKBTNCOJA-DJOAWQNOSA-N 0 0 554.652 3.671 1 0 KHAFRN CCOC(=O)CSCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C ZINC000026189361 561773188 /nfs/dbraw/zinc/77/31/88/561773188.db2.gz SWSOMMKBTNCOJA-USQVMHRCSA-N 0 0 554.652 3.671 1 0 KHAFRN CCOC(=O)CSCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C ZINC000026189365 561773354 /nfs/dbraw/zinc/77/33/54/561773354.db2.gz SWSOMMKBTNCOJA-DJGMDNLYSA-N 0 0 554.652 3.671 1 0 KHAFRN COc1cc2ccccc2c(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000026189473 561773311 /nfs/dbraw/zinc/77/33/11/561773311.db2.gz VRFZSNJOQMAMEN-BYHVZLFPSA-N 0 0 609.470 3.956 1 0 KHAFRN CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000026190035 561773410 /nfs/dbraw/zinc/77/34/10/561773410.db2.gz KWNSHLULLUMPEV-ZZDWIIDQSA-N 0 0 705.919 3.575 1 0 KHAFRN Cn1ccnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026247465 561773429 /nfs/dbraw/zinc/77/34/29/561773429.db2.gz RZVUQSWEVREBLV-DZUOILHNSA-N 0 0 667.877 3.915 1 0 KHAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000026251140 561774081 /nfs/dbraw/zinc/77/40/81/561774081.db2.gz UHGZCRVPTZSYOB-RUZDIDTESA-N 0 0 527.850 3.706 1 0 KHAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000026251147 561774140 /nfs/dbraw/zinc/77/41/40/561774140.db2.gz UHGZCRVPTZSYOB-VWLOTQADSA-N 0 0 527.850 3.706 1 0 KHAFRN COc1cccc(C(=O)CN2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/COC(C)=O)C(C)C)c1 ZINC000026251575 561774319 /nfs/dbraw/zinc/77/43/19/561774319.db2.gz YULINONWRYHRIP-RCBQKWKQSA-N 0 0 577.722 3.720 1 0 KHAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/COC(C)=O)C(C)C)c1 ZINC000026251581 561774259 /nfs/dbraw/zinc/77/42/59/561774259.db2.gz YULINONWRYHRIP-HAOGZWKISA-N 0 0 577.722 3.720 1 0 KHAFRN COc1cccc(C(=O)CN2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000026251604 561774306 /nfs/dbraw/zinc/77/43/06/561774306.db2.gz YLMRHUFEHCCAMO-GKRYNVPLSA-N 0 0 579.738 3.942 1 0 KHAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000026251610 561774242 /nfs/dbraw/zinc/77/42/42/561774242.db2.gz YLMRHUFEHCCAMO-YCVJPRETSA-N 0 0 579.738 3.942 1 0 KHAFRN COc1ccccc1OCCN1CCN(c2cnn(CCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026252631 561774413 /nfs/dbraw/zinc/77/44/13/561774413.db2.gz FSWWUIWPXUKKLV-UHFFFAOYSA-N 0 0 587.552 3.582 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1cccc(OC)c1)C(C)C ZINC000026253597 561774600 /nfs/dbraw/zinc/77/46/00/561774600.db2.gz NQKMHFDNULKYEZ-TUCRWICHSA-N 0 0 684.834 3.501 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1CC(=O)c1cccc(OC)c1)C(C)C ZINC000026253603 561774556 /nfs/dbraw/zinc/77/45/56/561774556.db2.gz NQKMHFDNULKYEZ-OXAGCLFZSA-N 0 0 684.834 3.501 1 0 KHAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCCCC1)CC2=O ZINC000026257802 561775096 /nfs/dbraw/zinc/77/50/96/561775096.db2.gz KLHNRSJVISGIQN-KSNOWIBYSA-N 0 0 513.679 3.830 1 0 KHAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCCCC1)CC2=O ZINC000026257810 561775191 /nfs/dbraw/zinc/77/51/91/561775191.db2.gz KLHNRSJVISGIQN-DCEDVJGZSA-N 0 0 513.679 3.830 1 0 KHAFRN CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C ZINC000026260443 561775398 /nfs/dbraw/zinc/77/53/98/561775398.db2.gz KHPHQRMUVDIKJW-ORYMTKCHSA-N 0 0 694.936 3.553 1 0 KHAFRN CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)OC(C)(C)C)C(C)C ZINC000026261105 561775602 /nfs/dbraw/zinc/77/56/02/561775602.db2.gz UMGDIHRNJBHDIA-FKBYEOEOSA-N 0 0 596.672 3.661 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)OC(C)(C)C)C(C)C ZINC000026261124 561775655 /nfs/dbraw/zinc/77/56/55/561775655.db2.gz OYJZSPLYYZCPMQ-VABKMULXSA-N 0 0 610.699 3.798 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCN3CCOCC3)c2)cc1 ZINC000026264889 561776183 /nfs/dbraw/zinc/77/61/83/561776183.db2.gz KBZGUXPZOIBUME-MGBGTMOVSA-N 0 0 605.640 3.551 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCN3CCOCC3)c2)cc1 ZINC000026264896 561776162 /nfs/dbraw/zinc/77/61/62/561776162.db2.gz KBZGUXPZOIBUME-XIFFEERXSA-N 0 0 605.640 3.551 1 0 KHAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc3c(c1)OCO3)CC2=O ZINC000026266103 561776322 /nfs/dbraw/zinc/77/63/22/561776322.db2.gz IAHWEMUGSTVRRM-BYXVTNLJSA-N 0 0 579.694 3.862 1 0 KHAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc3c(c1)OCO3)CC2=O ZINC000026266113 561776341 /nfs/dbraw/zinc/77/63/41/561776341.db2.gz IAHWEMUGSTVRRM-QGDZQMKYSA-N 0 0 579.694 3.862 1 0 KHAFRN CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026266637 561776324 /nfs/dbraw/zinc/77/63/24/561776324.db2.gz KKLAPKXHEWFDJD-FWEHEUNISA-N 0 0 601.814 3.752 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 ZINC000026269099 561776799 /nfs/dbraw/zinc/77/67/99/561776799.db2.gz CBIKMYNJCCYRFA-DEOSSOPVSA-N 0 0 577.081 3.841 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 ZINC000026269104 561776871 /nfs/dbraw/zinc/77/68/71/561776871.db2.gz CBIKMYNJCCYRFA-XMMPIXPASA-N 0 0 577.081 3.841 1 0 KHAFRN [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(=O)[O-] ZINC000026270237 561777162 /nfs/dbraw/zinc/77/71/62/561777162.db2.gz OHXQRUJAVMZGBC-SXOMAYOGSA-N 0 0 543.668 3.548 1 0 KHAFRN [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(=O)[O-] ZINC000026270243 561777173 /nfs/dbraw/zinc/77/71/73/561777173.db2.gz OHXQRUJAVMZGBC-SVBPBHIXSA-N 0 0 543.668 3.548 1 0 KHAFRN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2=O)cc1 ZINC000026270467 561777174 /nfs/dbraw/zinc/77/71/74/561777174.db2.gz VJJIICSWTNWWPY-QHCPKHFHSA-N 0 0 565.570 3.597 1 0 KHAFRN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c2=O)cc1 ZINC000026270472 561777126 /nfs/dbraw/zinc/77/71/26/561777126.db2.gz VJJIICSWTNWWPY-HSZRJFAPSA-N 0 0 565.570 3.597 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000026273581 561777753 /nfs/dbraw/zinc/77/77/53/561777753.db2.gz TUJJSLRNRRQPKT-WJOKGBTCSA-N 0 0 545.588 3.533 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000026273588 561777724 /nfs/dbraw/zinc/77/77/24/561777724.db2.gz TUJJSLRNRRQPKT-HKBQPEDESA-N 0 0 545.588 3.533 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026273723 561777674 /nfs/dbraw/zinc/77/76/74/561777674.db2.gz YZFRFWFGIWBTRS-JOCHJYFZSA-N 0 0 535.544 3.588 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026273729 561777751 /nfs/dbraw/zinc/77/77/51/561777751.db2.gz YZFRFWFGIWBTRS-QFIPXVFZSA-N 0 0 535.544 3.588 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCN3CCOCC3)c2)cc1 ZINC000026274385 561777870 /nfs/dbraw/zinc/77/78/70/561777870.db2.gz INTTYORIUAYXMN-UUWRZZSWSA-N 0 0 619.667 3.941 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCN3CCOCC3)c2)cc1 ZINC000026274392 561777878 /nfs/dbraw/zinc/77/78/78/561777878.db2.gz INTTYORIUAYXMN-UMSFTDKQSA-N 0 0 619.667 3.941 1 0 KHAFRN CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@@H]1N1C=Cc2c(C)c3[nH]c4ccccc4c3c(C)c2C1 ZINC000026274775 561778089 /nfs/dbraw/zinc/77/80/89/561778089.db2.gz CJHKLSSQTSUFED-HXVUFMGFSA-N 0 0 506.555 3.876 1 0 KHAFRN O=C1[C@@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CSc1nnc(-c2ccccc2)o1 ZINC000026275733 561778155 /nfs/dbraw/zinc/77/81/55/561778155.db2.gz GMHHSWHSNRPQAN-JOCHJYFZSA-N 0 0 506.609 3.987 1 0 KHAFRN O=C1[C@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CSc1nnc(-c2ccccc2)o1 ZINC000026275738 561778132 /nfs/dbraw/zinc/77/81/32/561778132.db2.gz GMHHSWHSNRPQAN-QFIPXVFZSA-N 0 0 506.609 3.987 1 0 KHAFRN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)CNCc2ccccc2)C(C)C)C(C)C)cc1 ZINC000026276081 561778298 /nfs/dbraw/zinc/77/82/98/561778298.db2.gz KJYLKYPXNIJZLI-QKDODKLFSA-N 0 0 600.707 3.576 1 0 KHAFRN CS(=O)(=O)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(S(C)(=O)=O)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1 ZINC000026276088 561778323 /nfs/dbraw/zinc/77/83/23/561778323.db2.gz KMUAFILYGKAKHD-WZJLIZBTSA-N 0 0 662.830 3.876 1 0 KHAFRN CO[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 ZINC000026278665 561778700 /nfs/dbraw/zinc/77/87/00/561778700.db2.gz FSAKTEBFSIPADS-VWLOTQADSA-N 0 0 574.653 3.981 1 0 KHAFRN CO[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 ZINC000026278671 561778753 /nfs/dbraw/zinc/77/87/53/561778753.db2.gz FSAKTEBFSIPADS-RUZDIDTESA-N 0 0 574.653 3.981 1 0 KHAFRN CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNCc1ccccc1)C(C)C ZINC000026279954 561778806 /nfs/dbraw/zinc/77/88/06/561778806.db2.gz JREYQDMTYPMSPL-GSDHBNRESA-N 0 0 586.680 3.926 1 0 KHAFRN CN1CCN(C(=O)[C@@H](CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 ZINC000026283175 561779463 /nfs/dbraw/zinc/77/94/63/561779463.db2.gz KMPGACBMQUFFOJ-WSHBGFIESA-N 0 0 549.691 3.640 1 0 KHAFRN CN1CCN(C(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 ZINC000026283182 561779472 /nfs/dbraw/zinc/77/94/72/561779472.db2.gz KMPGACBMQUFFOJ-KHGZIGHDSA-N 0 0 549.691 3.640 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 ZINC000026283556 561779435 /nfs/dbraw/zinc/77/94/35/561779435.db2.gz MCCWDRVXIBWEIB-DEOSSOPVSA-N 0 0 577.081 3.841 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 ZINC000026283562 561779428 /nfs/dbraw/zinc/77/94/28/561779428.db2.gz MCCWDRVXIBWEIB-XMMPIXPASA-N 0 0 577.081 3.841 1 0 KHAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCCN3CCOCC3)c2)cc1 ZINC000026284181 561779609 /nfs/dbraw/zinc/77/96/09/561779609.db2.gz OEMNPEMEFUYQJO-JGCGQSQUSA-N 0 0 559.615 3.923 1 0 KHAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCCN3CCOCC3)c2)cc1 ZINC000026284189 561779536 /nfs/dbraw/zinc/77/95/36/561779536.db2.gz OEMNPEMEFUYQJO-YTTGMZPUSA-N 0 0 559.615 3.923 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cc(C)on1 ZINC000026284197 561779523 /nfs/dbraw/zinc/77/95/23/561779523.db2.gz PIVUKSVVINLOBW-ODKYYKFUSA-N 0 0 685.753 3.556 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1 ZINC000026286628 561779920 /nfs/dbraw/zinc/77/99/20/561779920.db2.gz RVPGLXQEGHIPIN-JPVYQZHBSA-N 0 0 602.798 3.726 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3cccc(O)c3)C(=O)C[C@H]12 ZINC000026287323 561779961 /nfs/dbraw/zinc/77/99/61/561779961.db2.gz VGNCKRZLUHVQGZ-DSNGMDLFSA-N 0 0 561.639 3.815 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3cccc(O)c3)C(=O)C[C@H]12 ZINC000026287330 561779928 /nfs/dbraw/zinc/77/99/28/561779928.db2.gz VGNCKRZLUHVQGZ-CCDWMCETSA-N 0 0 561.639 3.815 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3cccc(O)c3)C(=O)C[C@@H]12 ZINC000026287336 561779898 /nfs/dbraw/zinc/77/98/98/561779898.db2.gz VGNCKRZLUHVQGZ-DSITVLBTSA-N 0 0 561.639 3.815 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3cccc(O)c3)C(=O)C[C@@H]12 ZINC000026287344 561779894 /nfs/dbraw/zinc/77/98/94/561779894.db2.gz VGNCKRZLUHVQGZ-SDHOMARFSA-N 0 0 561.639 3.815 1 0 KHAFRN C[C@H](c1ccccc1)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C ZINC000026287603 561780051 /nfs/dbraw/zinc/78/00/51/561780051.db2.gz JWZDCFNILWOTAP-GKIXMTHWSA-N 0 0 631.774 3.817 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc(C)on1 ZINC000026288714 561780222 /nfs/dbraw/zinc/78/02/22/561780222.db2.gz MRSJCPKCRIFRKF-PRAFSXQSSA-N 0 0 685.753 3.556 1 0 KHAFRN CC(C)[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]1O)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 ZINC000026288916 561780181 /nfs/dbraw/zinc/78/01/81/561780181.db2.gz OBACBMVRWSYMME-YHRKHFDESA-N 0 0 522.686 3.524 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CF ZINC000026289134 561780344 /nfs/dbraw/zinc/78/03/44/561780344.db2.gz JCRSHQCFRMCMOC-GSDHBNRESA-N 0 0 557.663 3.830 1 0 in-vivo KHAFRN C[C@@H](c1ccccc1)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C ZINC000026291167 561780625 /nfs/dbraw/zinc/78/06/25/561780625.db2.gz JWZDCFNILWOTAP-DFZCOPKLSA-N 0 0 631.774 3.817 1 0 KHAFRN O=S(=O)(c1ccccc1)N1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000026292646 561780768 /nfs/dbraw/zinc/78/07/68/561780768.db2.gz BLQXIDSIUQQUFD-VWLOTQADSA-N 0 0 524.514 3.732 1 0 KHAFRN O=S(=O)(c1ccccc1)N1CC[C@@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000026292651 561780820 /nfs/dbraw/zinc/78/08/20/561780820.db2.gz BLQXIDSIUQQUFD-RUZDIDTESA-N 0 0 524.514 3.732 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)N1C(=O)C[C@@H]2[C@@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O ZINC000026294252 561781196 /nfs/dbraw/zinc/78/11/96/561781196.db2.gz MEVBGKDSBORGRF-BPXGVECKSA-N 0 0 631.730 3.690 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)N1C(=O)C[C@H]2[C@@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O ZINC000026294262 561781181 /nfs/dbraw/zinc/78/11/81/561781181.db2.gz MEVBGKDSBORGRF-LJWNLINESA-N 0 0 631.730 3.690 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3ccncc3)C(=O)C[C@H]12 ZINC000026296161 561781427 /nfs/dbraw/zinc/78/14/27/561781427.db2.gz RXWYCVCRKXQIKP-KMDXXIMOSA-N 0 0 546.628 3.505 1 0 KHAFRN CC(C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026296453 561781555 /nfs/dbraw/zinc/78/15/55/561781555.db2.gz CJACPKQRPLMISK-WWPLQOFTSA-N 0 0 685.932 3.516 1 0 KHAFRN O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2ccc3ccccc3c2)CC1 ZINC000026375477 561781795 /nfs/dbraw/zinc/78/17/95/561781795.db2.gz LSNAYDZARICVGA-IAPPQJPRSA-N 0 0 548.684 3.508 1 0 KHAFRN CC[C@@H](C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026375725 561781806 /nfs/dbraw/zinc/78/18/06/561781806.db2.gz HJGGEQSINIZGAQ-PTXILSDTSA-N 0 0 699.959 3.906 1 0 KHAFRN CC[C@H](C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026375727 561781875 /nfs/dbraw/zinc/78/18/75/561781875.db2.gz HJGGEQSINIZGAQ-IOQHFJOQSA-N 0 0 699.959 3.906 1 0 KHAFRN O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2cccc3ccccc32)CC1 ZINC000026375768 561781870 /nfs/dbraw/zinc/78/18/70/561781870.db2.gz FXPVOGVCAKWEON-IAPPQJPRSA-N 0 0 548.684 3.508 1 0 KHAFRN O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCCc2cccc3ccccc32)CC1 ZINC000026375890 561781913 /nfs/dbraw/zinc/78/19/13/561781913.db2.gz VRWYRMFZKQAXPQ-PXJZQJOASA-N 0 0 562.711 3.898 1 0 KHAFRN CCCc1nc(CN2CCN(c3ccccn3)CC2)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026376267 561782030 /nfs/dbraw/zinc/78/20/30/561782030.db2.gz BJASFIMUPNVGKL-UHFFFAOYSA-N 0 0 549.683 3.941 1 0 KHAFRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 ZINC000026376396 561782125 /nfs/dbraw/zinc/78/21/25/561782125.db2.gz URBQRLTYIDBJQO-WMZHIEFXSA-N 0 0 525.911 3.929 1 0 KHAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000026377112 561782377 /nfs/dbraw/zinc/78/23/77/561782377.db2.gz BYLAAYVZJDMPHP-FNHRVDEZSA-N 0 0 697.796 3.859 1 0 KHAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000026377114 561782391 /nfs/dbraw/zinc/78/23/91/561782391.db2.gz BYLAAYVZJDMPHP-ZERKYRJWSA-N 0 0 697.796 3.859 1 0 KHAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000026377116 561782383 /nfs/dbraw/zinc/78/23/83/561782383.db2.gz BYLAAYVZJDMPHP-IVCVJKHQSA-N 0 0 697.796 3.859 1 0 KHAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000026377118 561782381 /nfs/dbraw/zinc/78/23/81/561782381.db2.gz BYLAAYVZJDMPHP-KXJIALSTSA-N 0 0 697.796 3.859 1 0 KHAFRN CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026377257 561782351 /nfs/dbraw/zinc/78/23/51/561782351.db2.gz OAFXIYWBKGSXMT-WBAQKLHDSA-N 0 0 541.774 3.901 1 0 in-vitro KHAFRN CCOC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026377259 581098644 /nfs/dbraw/zinc/09/86/44/581098644.db2.gz OAFXIYWBKGSXMT-HEXNFIEUSA-N 0 0 541.774 3.901 1 0 KHAFRN CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026377261 581098625 /nfs/dbraw/zinc/09/86/25/581098625.db2.gz OAFXIYWBKGSXMT-QJJBCJIQSA-N 0 0 541.774 3.901 1 0 KHAFRN CCOC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026377263 581098611 /nfs/dbraw/zinc/09/86/11/581098611.db2.gz OAFXIYWBKGSXMT-FMTGGWRCSA-N 0 0 541.774 3.901 1 0 KHAFRN O=c1[nH]c2ccccc2c(=O)n1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377342 561782477 /nfs/dbraw/zinc/78/24/77/561782477.db2.gz AUDLXWKLEAZHMP-RPLLCQBOSA-N 0 0 502.565 3.863 1 0 KHAFRN O=c1[nH]c2ccccc2c(=O)n1CCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377344 561782466 /nfs/dbraw/zinc/78/24/66/561782466.db2.gz AUDLXWKLEAZHMP-SHQCIBLASA-N 0 0 502.565 3.863 1 0 KHAFRN O=c1[nH]c2ccccc2c(=O)n1CCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377346 561782448 /nfs/dbraw/zinc/78/24/48/561782448.db2.gz AUDLXWKLEAZHMP-IGKIAQTJSA-N 0 0 502.565 3.863 1 0 KHAFRN O=c1[nH]c2ccccc2c(=O)n1CCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377348 561782462 /nfs/dbraw/zinc/78/24/62/561782462.db2.gz AUDLXWKLEAZHMP-SQHAQQRYSA-N 0 0 502.565 3.863 1 0 KHAFRN C[C@H](C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)[C@H](OS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000026377808 561782521 /nfs/dbraw/zinc/78/25/21/561782521.db2.gz OGZNQHVAWAFPTF-KVFOXVCZSA-N 0 0 575.474 3.847 1 0 KHAFRN CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000026378055 561782693 /nfs/dbraw/zinc/78/26/93/561782693.db2.gz LRKWZGHUGLGYKD-WOJGMQOQSA-N 0 0 567.733 3.663 1 0 KHAFRN CCc1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc(CC)n1 ZINC000026378072 561782702 /nfs/dbraw/zinc/78/27/02/561782702.db2.gz DKDIFFWERNVBSM-VHFAWWBMSA-N 0 0 699.959 3.517 1 0 KHAFRN Nc1n[nH]c2ccc(CN3C(=O)N(Cc4ccc5[nH]nc(N)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc12 ZINC000026379548 561783134 /nfs/dbraw/zinc/78/31/34/561783134.db2.gz SNDNVFWPJDWEQH-ZRTHHSRSSA-N 0 0 616.726 3.986 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000026382016 561783388 /nfs/dbraw/zinc/78/33/88/561783388.db2.gz WGUDWHYBVHSPSU-UEMRSFKDSA-N 0 0 731.960 3.652 1 0 KHAFRN COc1cc2c(cc1OC)C(=O)N1C=C(CC(=O)Nc3ccc4c(c3)N=C[C@@H]3CCCN3C4=O)C[C@H]1C=N2 ZINC000026385350 561784212 /nfs/dbraw/zinc/78/42/12/561784212.db2.gz UVVFZWCZYUTYIH-OALUTQOASA-N 0 0 513.554 3.867 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)Nc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000026385636 561784286 /nfs/dbraw/zinc/78/42/86/561784286.db2.gz JHBTYYQXFPDXCP-LVEBQJTPSA-N 0 0 518.522 3.936 1 0 KHAFRN CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000026386799 561784615 /nfs/dbraw/zinc/78/46/15/561784615.db2.gz BREQGYQIPZECIX-RCZVLFRGSA-N 0 0 505.659 3.754 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@@H]2/N=C(\[C@@H]3CCN3S(=O)(=O)c3ccccc3)NCc3nccn3C2=O)cc1 ZINC000026387639 561784777 /nfs/dbraw/zinc/78/47/77/561784777.db2.gz SHQGSLOFLHHOQQ-DQEYMECFSA-N 0 0 585.686 3.784 1 0 KHAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CON1C(=O)c2ccccc2C1=O ZINC000026388709 561785194 /nfs/dbraw/zinc/78/51/94/561785194.db2.gz YDIPYLVZZZSGSR-RRPNLBNLSA-N 0 0 571.630 3.852 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CON1C(=O)c2ccccc2C1=O ZINC000026388713 561785204 /nfs/dbraw/zinc/78/52/04/561785204.db2.gz YDIPYLVZZZSGSR-SVBPBHIXSA-N 0 0 571.630 3.852 1 0 KHAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CON1C(=O)c2ccccc2C1=O ZINC000026388717 561785240 /nfs/dbraw/zinc/78/52/40/561785240.db2.gz YDIPYLVZZZSGSR-KAYWLYCHSA-N 0 0 571.630 3.852 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CON1C(=O)c2ccccc2C1=O ZINC000026388721 561785169 /nfs/dbraw/zinc/78/51/69/561785169.db2.gz YDIPYLVZZZSGSR-SXOMAYOGSA-N 0 0 571.630 3.852 1 0 KHAFRN COc1cc2c(cc1OC)C(c1ccnc(-n3nc(Cc4cccnc4)c4ccccc4c3=O)c1)=N[C@H](CO)C2 ZINC000026388869 561785187 /nfs/dbraw/zinc/78/51/87/561785187.db2.gz CCJARLANHMJLNZ-QFIPXVFZSA-N 0 0 533.588 3.538 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000026389086 561785314 /nfs/dbraw/zinc/78/53/14/561785314.db2.gz WGUDWHYBVHSPSU-DRNYJLRZSA-N 0 0 731.960 3.652 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)N1CCOCC1)NC(=O)c1c[nH]c2ccccc21 ZINC000026390848 561785806 /nfs/dbraw/zinc/78/58/06/561785806.db2.gz OUBSIEBTPOOKDP-CZNDPXEESA-N 0 0 652.796 3.865 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)c1c[nH]c2ccccc21 ZINC000026390854 561785808 /nfs/dbraw/zinc/78/58/08/561785808.db2.gz OUBSIEBTPOOKDP-JHOUSYSJSA-N 0 0 652.796 3.865 1 0 KHAFRN CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 ZINC000026391340 561785830 /nfs/dbraw/zinc/78/58/30/561785830.db2.gz SXBWRHFAOQVOPG-ZKKGZRQESA-N 0 0 561.679 3.570 1 0 in-vivo KHAFRN CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 ZINC000026391344 561785763 /nfs/dbraw/zinc/78/57/63/561785763.db2.gz SXBWRHFAOQVOPG-WWDWLDGVSA-N 0 0 561.679 3.570 1 0 in-vivo KHAFRN CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 ZINC000026391347 561785757 /nfs/dbraw/zinc/78/57/57/561785757.db2.gz SXBWRHFAOQVOPG-DURBRWELSA-N 0 0 561.679 3.570 1 0 in-vivo KHAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 ZINC000026391351 561785761 /nfs/dbraw/zinc/78/57/61/561785761.db2.gz SXBWRHFAOQVOPG-VWYPKUQYSA-N 0 0 561.679 3.570 1 0 in-vivo KHAFRN COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026391770 561785922 /nfs/dbraw/zinc/78/59/22/561785922.db2.gz QHEVFWPDRLPVRA-QFIPXVFZSA-N 0 0 518.676 3.790 1 0 KHAFRN COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026391774 561785942 /nfs/dbraw/zinc/78/59/42/561785942.db2.gz QHEVFWPDRLPVRA-JOCHJYFZSA-N 0 0 518.676 3.790 1 0 KHAFRN CC(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026391790 561785940 /nfs/dbraw/zinc/78/59/40/561785940.db2.gz OTJAXVWBGXHJSB-FIRIVFDPSA-N 0 0 581.717 3.959 1 0 KHAFRN CC(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026391794 561785946 /nfs/dbraw/zinc/78/59/46/561785946.db2.gz OTJAXVWBGXHJSB-IOWSJCHKSA-N 0 0 581.717 3.959 1 0 KHAFRN CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 ZINC000026392506 561786153 /nfs/dbraw/zinc/78/61/53/561786153.db2.gz DPNMTXVKNLQAMD-UHFFFAOYSA-N 0 0 592.780 3.644 1 0 KHAFRN C[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O ZINC000026394066 561786377 /nfs/dbraw/zinc/78/63/77/561786377.db2.gz FATWEDBJJYSZOL-KPOBHBOGSA-N 0 0 519.494 3.907 1 0 KHAFRN C[C@H](N[P@](=O)(OC[C@H]1C=C[C@H](n2cnc3c2ncnc3N)O1)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000026394908 561786706 /nfs/dbraw/zinc/78/67/06/561786706.db2.gz OJRXJKPOXXIDMV-OHDIRNCWSA-N 0 0 550.512 3.787 1 0 KHAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1 ZINC000026396392 561787060 /nfs/dbraw/zinc/78/70/60/561787060.db2.gz OGPOWCWQXNIIKB-UHFFFAOYSA-N 0 0 583.601 3.997 1 0 KHAFRN CCCCNC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc2ccccc2c1 ZINC000026398054 561787557 /nfs/dbraw/zinc/78/75/57/561787557.db2.gz KZPLDAGPIVXPII-KWXIBIRDSA-N 0 0 527.706 3.948 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc2ccccc2c1 ZINC000026398058 561787542 /nfs/dbraw/zinc/78/75/42/561787542.db2.gz KZPLDAGPIVXPII-PVHODMMVSA-N 0 0 527.706 3.948 1 0 KHAFRN CCCCNC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc2ccccc2c1 ZINC000026398062 561787571 /nfs/dbraw/zinc/78/75/71/561787571.db2.gz KZPLDAGPIVXPII-GMQQYTKMSA-N 0 0 527.706 3.948 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc2ccccc2c1 ZINC000026398064 561787517 /nfs/dbraw/zinc/78/75/17/561787517.db2.gz KZPLDAGPIVXPII-QKDODKLFSA-N 0 0 527.706 3.948 1 0 KHAFRN Cc1c2cc(c(C)[n+]1-c1ccc(S(=O)(=O)[N-]c3nnc(S(N)(=O)=O)s3)cc1)CCCCCCCCC2 ZINC000026398206 561787621 /nfs/dbraw/zinc/78/76/21/561787621.db2.gz OPURNPRECWSMQM-UHFFFAOYSA-N 0 0 550.752 3.709 1 0 KHAFRN CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000026398946 561787748 /nfs/dbraw/zinc/78/77/48/561787748.db2.gz BREQGYQIPZECIX-WIOPSUGQSA-N 0 0 505.659 3.754 1 0 KHAFRN CC1(C)OC[C@@H](C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 ZINC000026399076 561787946 /nfs/dbraw/zinc/78/79/46/561787946.db2.gz GPQULZGUYNODGJ-HNAYVOBHSA-N 0 0 519.494 3.909 1 0 KHAFRN O=C(NCCNS(=O)(=O)c1ccc(CN2CCN(c3ccccn3)CC2)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026399663 561787962 /nfs/dbraw/zinc/78/79/62/561787962.db2.gz QFAHARZTTSOXBO-PMERELPUSA-N 0 0 723.683 3.716 1 0 KHAFRN CCOC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026400588 561788195 /nfs/dbraw/zinc/78/81/95/561788195.db2.gz FOZKMUDHUVEEOZ-ZEQKJWHPSA-N 0 0 530.669 3.543 1 0 KHAFRN CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H]3C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)/C=C/c1ccccc1 ZINC000026400651 561788227 /nfs/dbraw/zinc/78/82/27/561788227.db2.gz UPWPZXQNFGMDHD-VABNOWBQSA-N 0 0 582.690 3.949 1 0 KHAFRN O=C(CCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026401711 561788516 /nfs/dbraw/zinc/78/85/16/561788516.db2.gz BTEKSSADBJLMGT-SANMLTNESA-N 0 0 604.754 3.524 1 0 KHAFRN CC(C)(C)NC(=O)N(Cc1cccc(O)c1)CC(O)CN(Cc1cccc(O)c1)C(=O)NC(C)(C)C ZINC000026403697 561789158 /nfs/dbraw/zinc/78/91/58/561789158.db2.gz LPZVSWQHUWCHDG-UHFFFAOYSA-N 0 0 500.640 3.779 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(CO)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026467304 561790020 /nfs/dbraw/zinc/79/00/20/561790020.db2.gz SDLGUMNKMDTMAA-WBCOUHNMSA-N 0 0 538.384 3.577 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(CO)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026467309 561790044 /nfs/dbraw/zinc/79/00/44/561790044.db2.gz SDLGUMNKMDTMAA-LWGCSBEDSA-N 0 0 538.384 3.577 1 0 KHAFRN CCCCN(CCCC)S(=O)(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000026469140 561790097 /nfs/dbraw/zinc/79/00/97/561790097.db2.gz XTQIWTCZHSGAIM-ULBKPHCJSA-N 0 0 590.695 3.851 1 0 KHAFRN CO[C@@]1(NC(=O)c2ccccc2Cl)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000026469835 561790244 /nfs/dbraw/zinc/79/02/44/561790244.db2.gz PRADHDUIJKLBAO-VEEOACQBSA-N 0 0 647.113 3.514 1 0 KHAFRN O=C([O-])[C@H](CNC(=O)c1cc2cc(CCC3CC[NH2+]CC3)sc2s1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000026471444 561790502 /nfs/dbraw/zinc/79/05/02/561790502.db2.gz KRKCYEQJGKMBKL-IBGZPJMESA-N 0 0 556.131 3.710 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)n(C)c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026472579 561790717 /nfs/dbraw/zinc/79/07/17/561790717.db2.gz HIRQJEYBFPCWJR-YFJJEWJYSA-N 0 0 537.400 3.677 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)n(C)c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026472585 561790648 /nfs/dbraw/zinc/79/06/48/561790648.db2.gz HIRQJEYBFPCWJR-VKQKAZQBSA-N 0 0 537.400 3.677 1 0 KHAFRN CCOC(=O)C1=C(COC[C@@](C)(O)Cn2cncn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026473301 561790840 /nfs/dbraw/zinc/79/08/40/561790840.db2.gz ANVJOSXQLZCCLZ-MZJKJKIESA-N 0 0 539.416 3.844 1 0 KHAFRN CCOC(=O)C1=C(COC[C@@](C)(O)Cn2cncn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026473310 561790772 /nfs/dbraw/zinc/79/07/72/561790772.db2.gz ANVJOSXQLZCCLZ-IALVHAQASA-N 0 0 539.416 3.844 1 0 KHAFRN CCOC(=O)C1=C(COC[C@](C)(O)Cn2cncn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026473319 561790784 /nfs/dbraw/zinc/79/07/84/561790784.db2.gz ANVJOSXQLZCCLZ-TYEBUTMRSA-N 0 0 539.416 3.844 1 0 KHAFRN CCOC(=O)C1=C(COC[C@](C)(O)Cn2cncn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026473323 561790759 /nfs/dbraw/zinc/79/07/59/561790759.db2.gz ANVJOSXQLZCCLZ-PXAPMQTNSA-N 0 0 539.416 3.844 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(CN3CCOCC3)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026474696 561790959 /nfs/dbraw/zinc/79/09/59/561790959.db2.gz BICRWYWOXDZEPB-HELSZXIZSA-N 0 0 607.491 3.917 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(CN3CCOCC3)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026474706 561790920 /nfs/dbraw/zinc/79/09/20/561790920.db2.gz BICRWYWOXDZEPB-CZSVHLHGSA-N 0 0 607.491 3.917 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)[C@@H](C)O)c1nc(C(=O)NCc2ccc3c(c2)OCO3)cs1 ZINC000026476441 561791052 /nfs/dbraw/zinc/79/10/52/561791052.db2.gz LWKDTTMDIHNWHZ-XKPFWTEKSA-N 0 0 607.714 3.672 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026477091 561791155 /nfs/dbraw/zinc/79/11/55/561791155.db2.gz BUURWRCAHAWRCP-LOFJQREMSA-N 0 0 523.373 3.667 1 0 KHAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026477098 561791176 /nfs/dbraw/zinc/79/11/76/561791176.db2.gz BUURWRCAHAWRCP-QTTZHIOCSA-N 0 0 523.373 3.667 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(N)=O ZINC000026479095 561791533 /nfs/dbraw/zinc/79/15/33/561791533.db2.gz FCGDCUCQJJMQFE-NMYDEOLLSA-N 0 0 669.823 3.798 1 0 KHAFRN CO[C@@]1(NC(=O)Cc2ccc(Br)cc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000026481707 561791880 /nfs/dbraw/zinc/79/18/80/561791880.db2.gz OLFMCGLZTSHJCW-BHYZAODMSA-N 0 0 705.591 3.552 1 0 KHAFRN Cc1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026483725 561792103 /nfs/dbraw/zinc/79/21/03/561792103.db2.gz OMGWFSBXWBDBBP-XOYFTRCZSA-N 0 0 679.884 3.990 1 0 KHAFRN Cc1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026483734 561792079 /nfs/dbraw/zinc/79/20/79/561792079.db2.gz OMGWFSBXWBDBBP-XUQVPCSOSA-N 0 0 679.884 3.990 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026487637 561792810 /nfs/dbraw/zinc/79/28/10/561792810.db2.gz NIQZVJVTQIZVKW-RAHFVTAASA-N 0 0 653.824 3.613 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(C(C)(C)c2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026487643 561792770 /nfs/dbraw/zinc/79/27/70/561792770.db2.gz ABIINSUCXHLJLC-TWTDXSNUSA-N 0 0 641.857 3.602 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccccc2)C[C@H]1C(=O)NC(C)(C)C ZINC000026487650 561792714 /nfs/dbraw/zinc/79/27/14/561792714.db2.gz PSFHAHCNWBNLER-IHZBLBIESA-N 0 0 678.900 3.583 1 0 KHAFRN CCOC(=O)c1ccc(NC(=O)NCc2ccn(-c3cc4[nH]c(=O)c(=O)[nH]c4cc3C(F)(F)F)c2)cc1 ZINC000026489358 561793027 /nfs/dbraw/zinc/79/30/27/561793027.db2.gz BICPPLXRHOQXDM-UHFFFAOYSA-N 0 0 515.448 3.524 1 0 KHAFRN C[NH+](C)CCCCCC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c2c(Cl)cccc2Cl)c1=O ZINC000026494219 561793955 /nfs/dbraw/zinc/79/39/55/561793955.db2.gz BZTWHFFWNONQQR-QHCPKHFHSA-N 0 0 706.555 3.802 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000026495444 561794252 /nfs/dbraw/zinc/79/42/52/561794252.db2.gz YBCMZSPAMQULRR-VJGNERBWSA-N 0 0 694.698 3.774 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000026495448 561794212 /nfs/dbraw/zinc/79/42/12/561794212.db2.gz YBCMZSPAMQULRR-QKDODKLFSA-N 0 0 694.698 3.774 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000026495452 561794250 /nfs/dbraw/zinc/79/42/50/561794250.db2.gz YBCMZSPAMQULRR-PFBJBMPXSA-N 0 0 694.698 3.774 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000026495458 561794169 /nfs/dbraw/zinc/79/41/69/561794169.db2.gz YBCMZSPAMQULRR-PVHODMMVSA-N 0 0 694.698 3.774 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)[C@@H](C)O)c1nc(C(=O)NCc2ccc3c(c2)OCO3)cs1 ZINC000026496971 561794468 /nfs/dbraw/zinc/79/44/68/561794468.db2.gz URYLKPBTUNNSQJ-JHTITAFHSA-N 0 0 621.741 3.918 1 0 KHAFRN CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)C[C@H](CCC(=O)[O-])C(=O)N(CCc1ccccc1)C2 ZINC000026497472 561794586 /nfs/dbraw/zinc/79/45/86/561794586.db2.gz WBZPZTNCLJJAQK-VWLOTQADSA-N 0 0 505.659 3.757 1 0 KHAFRN CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)C[C@@H](CCC(=O)[O-])C(=O)N(CCc1ccccc1)C2 ZINC000026497477 561794569 /nfs/dbraw/zinc/79/45/69/561794569.db2.gz WBZPZTNCLJJAQK-RUZDIDTESA-N 0 0 505.659 3.757 1 0 KHAFRN COC(=O)CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000026499654 561795098 /nfs/dbraw/zinc/79/50/98/561795098.db2.gz OEZBWLHAAKESCK-SYDAJTCLSA-N 0 0 525.013 3.646 1 0 KHAFRN NC(=O)N1CCC(CC(=O)N2CCC(=C3c4ccc(Cl)cc4S(=O)(=O)Cc4cccnc43)CC2)CC1 ZINC000026500362 561795324 /nfs/dbraw/zinc/79/53/24/561795324.db2.gz IJWLFOJGLGIFTN-UHFFFAOYSA-N 0 0 529.062 3.627 1 0 KHAFRN CC(C)[C@@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 ZINC000026501773 561795699 /nfs/dbraw/zinc/79/56/99/561795699.db2.gz IVRKCBSUZUYYCM-DRVYDUGISA-N 0 0 555.675 3.983 1 0 KHAFRN CC(C)[C@@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 ZINC000026501777 561795707 /nfs/dbraw/zinc/79/57/07/561795707.db2.gz IVRKCBSUZUYYCM-NTBNWUQQSA-N 0 0 555.675 3.983 1 0 KHAFRN CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)[O-])C(=O)N(CCc1ccc(F)cc1)C2 ZINC000026502517 561795814 /nfs/dbraw/zinc/79/58/14/561795814.db2.gz GFBIYISHVPCCGE-RUZDIDTESA-N 0 0 509.622 3.506 1 0 KHAFRN CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)[O-])C(=O)N(CCc1ccc(F)cc1)C2 ZINC000026502521 561795796 /nfs/dbraw/zinc/79/57/96/561795796.db2.gz GFBIYISHVPCCGE-VWLOTQADSA-N 0 0 509.622 3.506 1 0 KHAFRN CC(C)[C@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 ZINC000026502633 561795937 /nfs/dbraw/zinc/79/59/37/561795937.db2.gz IVRKCBSUZUYYCM-XYEMOUPBSA-N 0 0 555.675 3.983 1 0 KHAFRN CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C ZINC000026504706 561796245 /nfs/dbraw/zinc/79/62/45/561796245.db2.gz XKMKASCTPIXULN-STKQPBNXSA-N 0 0 695.946 3.917 1 0 KHAFRN CC(C)[C@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 ZINC000026506037 561796721 /nfs/dbraw/zinc/79/67/21/561796721.db2.gz IVRKCBSUZUYYCM-FAVMAGOISA-N 0 0 555.675 3.983 1 0 KHAFRN COc1ccc(N2CN(CC(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1OC ZINC000026567067 561797277 /nfs/dbraw/zinc/79/72/77/561797277.db2.gz LLDXCQQWICNMIB-UHFFFAOYSA-N 0 0 671.595 3.803 1 0 KHAFRN CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCC(F)F)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C ZINC000026567146 561797287 /nfs/dbraw/zinc/79/72/87/561797287.db2.gz VOAVHHOYQXKBTQ-LOMMXYNGSA-N 0 0 739.852 3.916 1 0 KHAFRN CC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(C)=O ZINC000026572175 561798256 /nfs/dbraw/zinc/79/82/56/561798256.db2.gz HTWBNRYUWQPLIP-GZXHTMMISA-N 0 0 622.722 3.708 1 0 KHAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1 ZINC000026573046 561798436 /nfs/dbraw/zinc/79/84/36/561798436.db2.gz MPAJJFCONLAFJJ-XMMPIXPASA-N 0 0 500.068 3.755 1 0 KHAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1 ZINC000026573049 561798485 /nfs/dbraw/zinc/79/84/85/561798485.db2.gz MPAJJFCONLAFJJ-DEOSSOPVSA-N 0 0 500.068 3.755 1 0 KHAFRN CN1Cc2ccccc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026573705 561798568 /nfs/dbraw/zinc/79/85/68/561798568.db2.gz XEWYHQUBPLPDSW-XMMPIXPASA-N 0 0 528.656 3.537 1 0 KHAFRN CN1Cc2ccccc2[C@H](c2ccc(NS(C)(=O)=O)cc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026573708 561798579 /nfs/dbraw/zinc/79/85/79/561798579.db2.gz XEWYHQUBPLPDSW-DEOSSOPVSA-N 0 0 528.656 3.537 1 0 KHAFRN COC(=O)c1ccc([C@@H](CC(=O)[O-])N2CCc3cc(OCc4ccc(C(N)=[NH2+])cc4)ccc3C2=O)cc1 ZINC000026574638 561798848 /nfs/dbraw/zinc/79/88/48/561798848.db2.gz PWANTTYQXHLCDY-XMMPIXPASA-N 0 0 501.539 3.551 1 0 KHAFRN COC(=O)c1ccc([C@H](CC(=O)[O-])N2CCc3cc(OCc4ccc(C(N)=[NH2+])cc4)ccc3C2=O)cc1 ZINC000026574639 561798804 /nfs/dbraw/zinc/79/88/04/561798804.db2.gz PWANTTYQXHLCDY-DEOSSOPVSA-N 0 0 501.539 3.551 1 0 KHAFRN CONC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NOC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000026575301 561799145 /nfs/dbraw/zinc/79/91/45/561799145.db2.gz PNRNVSUAECQBDO-WZJLIZBTSA-N 0 0 652.748 3.651 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026575543 561799302 /nfs/dbraw/zinc/79/93/02/561799302.db2.gz HSMFIUTZOMUMTG-GMQQYTKMSA-N 0 0 567.633 3.978 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026575545 561799300 /nfs/dbraw/zinc/79/93/00/561799300.db2.gz HSMFIUTZOMUMTG-KWXIBIRDSA-N 0 0 567.633 3.978 1 0 KHAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000026576103 561799810 /nfs/dbraw/zinc/79/98/10/561799810.db2.gz GPUHMLPBKTYERL-DEIZWQRYSA-N 0 0 606.716 3.835 1 0 KHAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](C(C)(C)C)OC(=O)CCNC2=O)cc1 ZINC000026576490 561800364 /nfs/dbraw/zinc/80/03/64/561800364.db2.gz QGOBAJIQHREWQU-YUTVERMLSA-N 0 0 606.716 3.835 1 0 KHAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](n2cccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576531 561800371 /nfs/dbraw/zinc/80/03/71/561800371.db2.gz QNNXGKKRCRFKDF-IXLCRDMHSA-N 0 0 579.694 3.851 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(N5CCCCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000026576598 561800433 /nfs/dbraw/zinc/80/04/33/561800433.db2.gz XXALZQWNFIIRIY-UHFFFAOYSA-N 0 0 725.276 3.621 1 0 KHAFRN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026576665 561800442 /nfs/dbraw/zinc/80/04/42/561800442.db2.gz FUSUHIRVQYAQEE-UHFFFAOYSA-N 0 0 561.104 3.750 1 0 KHAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2=O)c1 ZINC000026577260 561801260 /nfs/dbraw/zinc/80/12/60/561801260.db2.gz QENGHMDIQHSGLU-DEOSSOPVSA-N 0 0 554.607 3.770 1 0 KHAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2=O)c1 ZINC000026577261 561801278 /nfs/dbraw/zinc/80/12/78/561801278.db2.gz QENGHMDIQHSGLU-XMMPIXPASA-N 0 0 554.607 3.770 1 0 KHAFRN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026577668 561802189 /nfs/dbraw/zinc/80/21/89/561802189.db2.gz ZPNOJRBBOYXYIY-UHFFFAOYSA-N 0 0 660.237 3.990 1 0 KHAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](N2CCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577766 561802291 /nfs/dbraw/zinc/80/22/91/561802291.db2.gz VWYXILZLPPZVMG-GZIVSMBYSA-N 0 0 567.727 3.846 1 0 KHAFRN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026578255 561802957 /nfs/dbraw/zinc/80/29/57/561802957.db2.gz DQDVLSZRPPRPHE-UHFFFAOYSA-N 0 0 575.131 3.997 1 0 KHAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](C(C)C)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026578379 561803277 /nfs/dbraw/zinc/80/32/77/561803277.db2.gz SRNABVISRKJRFP-RDOZQVQRSA-N 0 0 556.700 3.875 1 0 KHAFRN CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000026578597 561803559 /nfs/dbraw/zinc/80/35/59/561803559.db2.gz SKEIASRRCAPQHX-JYBHVHJKSA-N 0 0 606.711 3.749 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 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504.630 3.569 1 0 KHAFRN COc1ccc(OC)c([C@@H]2SCC(=O)N2CCN2C(=O)CS[C@H]2c2cc(OC)ccc2OC)c1 ZINC000026670853 561812436 /nfs/dbraw/zinc/81/24/36/561812436.db2.gz LTQAASKTCNHVKA-ZEQRLZLVSA-N 0 0 504.630 3.569 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCc2ccccc21)CCC(N)=O ZINC000026670968 561812402 /nfs/dbraw/zinc/81/24/02/561812402.db2.gz VPKZDQCAFPDCOV-AOXXHNHHSA-N 0 0 667.807 3.951 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/c1cocn1)CCC(N)=O ZINC000026670972 561812437 /nfs/dbraw/zinc/81/24/37/561812437.db2.gz MNCPBVBEXYSOPO-RNEMCHBDSA-N 0 0 589.693 3.507 1 0 KHAFRN COc1ccc2c(c1)CCN2C(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026671387 561812485 /nfs/dbraw/zinc/81/24/85/561812485.db2.gz AECRDLUYSHSYPS-BXRDGEKLSA-N 0 0 697.833 3.959 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1 ZINC000026671510 561812507 /nfs/dbraw/zinc/81/25/07/561812507.db2.gz NNVOAYGZCNNJDB-TVSRHRKOSA-N 0 0 614.743 3.581 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)OCC(C)(C)C)CCC(N)=O ZINC000026671692 561812491 /nfs/dbraw/zinc/81/24/91/561812491.db2.gz VWVRZQVPQGPZBA-ZFEFEGOUSA-N 0 0 636.790 3.951 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/c1ccno1)CCC(N)=O ZINC000026672438 561812764 /nfs/dbraw/zinc/81/27/64/561812764.db2.gz SMSVZAATDLJXKP-VRELBKMMSA-N 0 0 589.693 3.507 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCC(N)=O ZINC000026672446 561812789 /nfs/dbraw/zinc/81/27/89/561812789.db2.gz QYICDBYGNFVTJB-PSUNEHQGSA-N 0 0 662.809 3.793 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 ZINC000026672508 561812903 /nfs/dbraw/zinc/81/29/03/561812903.db2.gz NVLDMRZXXXMGAH-AAJYTJHQSA-N 0 0 634.774 3.849 1 0 KHAFRN O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C\COc2ccc(Cl)cc2CN1 ZINC000026674241 561813320 /nfs/dbraw/zinc/81/33/20/561813320.db2.gz DCUODGWOKBGFJV-NYPGBQQYSA-N 0 0 572.449 3.565 1 0 KHAFRN O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OCCCCOc2ccc(Cl)cc2CN1 ZINC000026674248 561813312 /nfs/dbraw/zinc/81/33/12/561813312.db2.gz OKJSQHIVLJMGND-NRFANRHFSA-N 0 0 574.465 3.789 1 0 KHAFRN O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C/COc2ccc(Cl)cc2CN1 ZINC000026674251 561813315 /nfs/dbraw/zinc/81/33/15/561813315.db2.gz DCUODGWOKBGFJV-FNEOHHHZSA-N 0 0 572.449 3.565 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)SCc1ccccc1 ZINC000026674577 561813546 /nfs/dbraw/zinc/81/35/46/561813546.db2.gz DWMGMVROIGEOMH-MQYZGGMBSA-N 0 0 610.777 3.641 1 0 KHAFRN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NCC(N)=O)CC1 ZINC000026674954 561813783 /nfs/dbraw/zinc/81/37/83/561813783.db2.gz IMCAITGUEUZPNQ-SFHVURJKSA-N 0 0 509.622 3.890 1 0 KHAFRN C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NCC(N)=O)CC1 ZINC000026674956 561813750 /nfs/dbraw/zinc/81/37/50/561813750.db2.gz IMCAITGUEUZPNQ-GOSISDBHSA-N 0 0 509.622 3.890 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1 ZINC000026675204 561813878 /nfs/dbraw/zinc/81/38/78/561813878.db2.gz IJKDEJYTYFVZEY-YRCZKMHPSA-N 0 0 735.952 3.834 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CC[C@@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026716791 561814207 /nfs/dbraw/zinc/81/42/07/561814207.db2.gz DXVGMIKOXYAZSE-KYAKIMQTSA-N 0 0 595.737 3.820 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CC[C@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026716797 561814179 /nfs/dbraw/zinc/81/41/79/561814179.db2.gz DXVGMIKOXYAZSE-NYYBNLHCSA-N 0 0 595.737 3.820 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)(C)C ZINC000026716807 561814288 /nfs/dbraw/zinc/81/42/88/561814288.db2.gz JZQVLICTGFVELN-IAWRDTJKSA-N 0 0 602.798 3.692 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)n1cccc1)CCC(N)=O ZINC000026717333 561814495 /nfs/dbraw/zinc/81/44/95/561814495.db2.gz JALVMMVCTSUHCF-JTZWRHFGSA-N 0 0 615.731 3.503 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026718029 561814596 /nfs/dbraw/zinc/81/45/96/561814596.db2.gz JTCAOINPACRZFR-MQYZGGMBSA-N 0 0 600.757 3.652 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12 ZINC000026718053 561814581 /nfs/dbraw/zinc/81/45/81/561814581.db2.gz VSLFBTCZQICUPX-NOIWARKYSA-N 0 0 540.657 3.972 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]21 ZINC000026718058 561814533 /nfs/dbraw/zinc/81/45/33/561814533.db2.gz VSLFBTCZQICUPX-VZWWNPRPSA-N 0 0 540.657 3.972 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12 ZINC000026718063 561814572 /nfs/dbraw/zinc/81/45/72/561814572.db2.gz VSLFBTCZQICUPX-VSWVZXEDSA-N 0 0 540.657 3.972 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21 ZINC000026718067 561814544 /nfs/dbraw/zinc/81/45/44/561814544.db2.gz VSLFBTCZQICUPX-DYIJDPQUSA-N 0 0 540.657 3.972 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCCN1CCOCC1 ZINC000026718236 561814717 /nfs/dbraw/zinc/81/47/17/561814717.db2.gz TZQJIMJMAVFFMJ-ZLESDFJESA-N 0 0 638.850 3.712 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)OC1CCCC1)CCC(N)=O ZINC000026718357 561814720 /nfs/dbraw/zinc/81/47/20/561814720.db2.gz NIFUNSHVWJAHCD-QAZJKWRWSA-N 0 0 634.774 3.847 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1cc(OC)ccc1C)c1ccccc1 ZINC000026718562 561814722 /nfs/dbraw/zinc/81/47/22/561814722.db2.gz JDWOPYSSMYLNQM-ALTZYDRJSA-N 0 0 525.690 3.602 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1cc(OC)ccc1C)c1ccccc1 ZINC000026718571 561814687 /nfs/dbraw/zinc/81/46/87/561814687.db2.gz JDWOPYSSMYLNQM-ZEZDXWPOSA-N 0 0 525.690 3.602 1 0 KHAFRN COc1ccc2ccc(S(=O)(=O)N[C@@H](Cc3cc4c(ccnc4N)o3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000026718633 561814767 /nfs/dbraw/zinc/81/47/67/561814767.db2.gz IVTCEZMAQSROIP-DEOSSOPVSA-N 0 0 522.627 3.720 1 0 KHAFRN COc1ccc2ccc(S(=O)(=O)N[C@H](Cc3cc4c(ccnc4N)o3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000026718638 561814757 /nfs/dbraw/zinc/81/47/57/561814757.db2.gz IVTCEZMAQSROIP-XMMPIXPASA-N 0 0 522.627 3.720 1 0 KHAFRN CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000026720668 561815077 /nfs/dbraw/zinc/81/50/77/561815077.db2.gz FNYQDTGFSCTEML-LSOHEVAPSA-N 0 0 695.927 3.714 1 0 KHAFRN Cc1cc(O)cc(C)c1CNC(=O)[C@H](Cc1ccccc1)C[C@@H](O)CN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C(=O)NC(C)(C)C ZINC000026720916 561815159 /nfs/dbraw/zinc/81/51/59/561815159.db2.gz QFHSEPSATCMBAS-YQKLYGQBSA-N 0 0 670.898 3.586 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc(CCC(=O)OCc5ccccc5)ccc4O3)O2)c(=O)[nH]c1=O ZINC000026721150 561815203 /nfs/dbraw/zinc/81/52/03/561815203.db2.gz CNLZZPOCZLNCTG-ZLDSWBJCSA-N 0 0 554.492 3.709 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(CCC(=O)OCc5ccccc5)ccc4O3)O2)c(=O)[nH]c1=O ZINC000026721160 561815157 /nfs/dbraw/zinc/81/51/57/561815157.db2.gz CNLZZPOCZLNCTG-LDUPMFAASA-N 0 0 554.492 3.709 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026721279 561815153 /nfs/dbraw/zinc/81/51/53/561815153.db2.gz KHZDXQCCLCDOSX-GZAFEENDSA-N 0 0 642.753 3.511 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026721597 561815341 /nfs/dbraw/zinc/81/53/41/561815341.db2.gz BZVSPSRKSYRAPN-FIHJBQEISA-N 0 0 674.820 3.812 1 0 KHAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026721603 561815321 /nfs/dbraw/zinc/81/53/21/561815321.db2.gz ZTWSTGVBOFPTAB-RZZVMLIJSA-N 0 0 660.793 3.671 1 0 KHAFRN Cc1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@@H]23)C(C)C)cs1 ZINC000026722341 561815434 /nfs/dbraw/zinc/81/54/34/561815434.db2.gz OMGWFSBXWBDBBP-LXISBOMESA-N 0 0 679.884 3.990 1 0 KHAFRN Cc1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@@H]23)C(C)C)cs1 ZINC000026722348 561815437 /nfs/dbraw/zinc/81/54/37/561815437.db2.gz OMGWFSBXWBDBBP-JGDVQNAXSA-N 0 0 679.884 3.990 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12)Oc1cncs1 ZINC000026722754 561815376 /nfs/dbraw/zinc/81/53/76/561815376.db2.gz RVOVCDTXFQYDDZ-LGUCIEFOSA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]12)Oc1cncs1 ZINC000026722762 561815429 /nfs/dbraw/zinc/81/54/29/561815429.db2.gz RVOVCDTXFQYDDZ-UTHITJIJSA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21)Oc1cncs1 ZINC000026722770 561815372 /nfs/dbraw/zinc/81/53/72/561815372.db2.gz RVOVCDTXFQYDDZ-MEQPJSFWSA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12)Oc1cncs1 ZINC000026723375 561815550 /nfs/dbraw/zinc/81/55/50/561815550.db2.gz LGAXXBPDVKYGGT-LGUCIEFOSA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21)Oc1cncs1 ZINC000026723389 561815565 /nfs/dbraw/zinc/81/55/65/561815565.db2.gz LGAXXBPDVKYGGT-MEQPJSFWSA-N 0 0 567.664 3.693 1 0 KHAFRN Cc1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026723918 561815643 /nfs/dbraw/zinc/81/56/43/561815643.db2.gz OMGWFSBXWBDBBP-SPFZYWPESA-N 0 0 679.884 3.990 1 0 KHAFRN Cc1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@H]3OCC[C@@H]32)C(C)C)cs1 ZINC000026723928 561815672 /nfs/dbraw/zinc/81/56/72/561815672.db2.gz OMGWFSBXWBDBBP-SDOSOUFUSA-N 0 0 679.884 3.990 1 0 KHAFRN CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026725212 561815774 /nfs/dbraw/zinc/81/57/74/561815774.db2.gz ZYXJGWBYPOHODT-KWCHKHDGSA-N 0 0 641.922 3.557 1 0 KHAFRN CC(C)[C@@H](NOCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12 ZINC000026727087 561816107 /nfs/dbraw/zinc/81/61/07/561816107.db2.gz GVIABIACEFSTFX-ODHKFSPYSA-N 0 0 652.814 3.766 1 0 KHAFRN CC(C)[C@@H](NOCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]12 ZINC000026727093 561816125 /nfs/dbraw/zinc/81/61/25/561816125.db2.gz GVIABIACEFSTFX-QMVSFNDSSA-N 0 0 652.814 3.766 1 0 KHAFRN CC(C)[C@@H](NOCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]12 ZINC000026727098 561816148 /nfs/dbraw/zinc/81/61/48/561816148.db2.gz GVIABIACEFSTFX-MWOFKGILSA-N 0 0 652.814 3.766 1 0 KHAFRN CC(C)[C@@H](NOCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026727104 561816157 /nfs/dbraw/zinc/81/61/57/561816157.db2.gz GVIABIACEFSTFX-AMTCRICLSA-N 0 0 652.814 3.766 1 0 KHAFRN CC(C)[C@H](NOCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12 ZINC000026727110 561816176 /nfs/dbraw/zinc/81/61/76/561816176.db2.gz GVIABIACEFSTFX-AEXHNAJZSA-N 0 0 652.814 3.766 1 0 KHAFRN CC(C)[C@H](NOCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21 ZINC000026727120 561816113 /nfs/dbraw/zinc/81/61/13/561816113.db2.gz GVIABIACEFSTFX-QAPKCHITSA-N 0 0 652.814 3.766 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4cccc(CCC(=O)OCc5ccccc5)c4O3)O2)c(=O)[nH]c1=O ZINC000026727181 561816115 /nfs/dbraw/zinc/81/61/15/561816115.db2.gz GBYQHFBLLASMDK-JQDUAKELSA-N 0 0 554.492 3.709 1 0 KHAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cccc(CCC(=O)OCc5ccccc5)c4O3)O2)c(=O)[nH]c1=O ZINC000026727191 561816111 /nfs/dbraw/zinc/81/61/11/561816111.db2.gz GBYQHFBLLASMDK-UDMHCVTNSA-N 0 0 554.492 3.709 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12 ZINC000026728059 561816295 /nfs/dbraw/zinc/81/62/95/561816295.db2.gz VSLFBTCZQICUPX-OZCRVQINSA-N 0 0 540.657 3.972 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]12 ZINC000026728064 561816326 /nfs/dbraw/zinc/81/63/26/561816326.db2.gz VSLFBTCZQICUPX-HBEKHWMPSA-N 0 0 540.657 3.972 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]12 ZINC000026728070 561816268 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ZINC000026940452 561828061 /nfs/dbraw/zinc/82/80/61/561828061.db2.gz KCYUBTWJISRWHM-LOSJGSFVSA-N 0 0 583.707 3.625 1 0 KHAFRN CCOC(=O)[C@H](Cc1ccc(OC(=O)c2cccnc2)cc1)NC(=O)C1(NC(=O)[C@H](SC(C)=O)C(C)C)CCCC1 ZINC000026940459 561828092 /nfs/dbraw/zinc/82/80/92/561828092.db2.gz NKCYMQXHQMHVJS-LOSJGSFVSA-N 0 0 583.707 3.625 1 0 KHAFRN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)c2nc3cc(NC(C)=O)ccc3o2)C(C)C)C(C)C)cc1 ZINC000026943536 561828357 /nfs/dbraw/zinc/82/83/57/561828357.db2.gz MYFZNGDCDVZJJD-URORMMCBSA-N 0 0 605.692 3.564 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000026943978 561828320 /nfs/dbraw/zinc/82/83/20/561828320.db2.gz VUOJAFFCQHSPSO-OWHBQTKESA-N 0 0 695.817 3.795 1 0 KHAFRN C[C@@H](O)[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000026948197 561828650 /nfs/dbraw/zinc/82/86/50/561828650.db2.gz ZHMXSOLQEQHZSQ-IRTQQWPDSA-N 0 0 697.833 3.709 1 0 KHAFRN C[C@H](O)[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000026948206 561828720 /nfs/dbraw/zinc/82/87/20/561828720.db2.gz ZHMXSOLQEQHZSQ-PFPBOQTISA-N 0 0 697.833 3.709 1 0 KHAFRN C[C@@H](O)[C@@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000026948213 561828715 /nfs/dbraw/zinc/82/87/15/561828715.db2.gz ZHMXSOLQEQHZSQ-FOELJENGSA-N 0 0 697.833 3.709 1 0 KHAFRN C[C@H](O)[C@@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000026948223 561828693 /nfs/dbraw/zinc/82/86/93/561828693.db2.gz ZHMXSOLQEQHZSQ-KDOGZONHSA-N 0 0 697.833 3.709 1 0 KHAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C ZINC000026948337 561828668 /nfs/dbraw/zinc/82/86/68/561828668.db2.gz SIACRXQYNXAQRF-SXLOSVNLSA-N 0 0 719.843 3.952 1 0 KHAFRN 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/nfs/dbraw/zinc/82/93/31/561829331.db2.gz SHBVDGLYMDDFQK-RNXOBYDBSA-N 0 0 606.676 3.880 1 0 KHAFRN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C(CCl)[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C ZINC000026960025 561829507 /nfs/dbraw/zinc/82/95/07/561829507.db2.gz XNIRZHSLYZBJOQ-HLTYHKNFSA-N 0 0 543.003 3.547 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(CCOCCc2ccccc2)CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000026960230 561829538 /nfs/dbraw/zinc/82/95/38/561829538.db2.gz JTQMQGCPOMWXGF-KVBYWJEESA-N 0 0 746.946 3.812 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(CCOCCc2ccccc2)CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000026960243 561829569 /nfs/dbraw/zinc/82/95/69/561829569.db2.gz JTQMQGCPOMWXGF-PDHQKIGBSA-N 0 0 746.946 3.812 1 0 KHAFRN CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O ZINC000026961501 561829635 /nfs/dbraw/zinc/82/96/35/561829635.db2.gz YBUQJYOUPTTZHR-UHFFFAOYSA-N 0 0 526.442 3.685 1 0 KHAFRN CCCS(=O)(=O)N(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)CC(C)C ZINC000026965666 561829897 /nfs/dbraw/zinc/82/98/97/561829897.db2.gz BREMXOULYOZQBW-MVNQZMKCSA-N 0 0 546.686 3.963 1 0 KHAFRN COC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(OC)c(OC)c3)cc(OC)c2)[C@H](OC)[C@@H](OC)[C@@H]1OC ZINC000026965744 561829922 /nfs/dbraw/zinc/82/99/22/561829922.db2.gz SFKDMXNGSQTNLQ-XWKSYUBDSA-N 0 0 504.576 3.678 1 0 KHAFRN CC(C)c1cccc2c1C(=O)N(COc1cc(Cl)c(C(=O)OCCN3CCOCC3)c(Cl)c1)S2(=O)=O ZINC000026966936 561830087 /nfs/dbraw/zinc/83/00/87/561830087.db2.gz UEMIDZYBPBAFBL-UHFFFAOYSA-N 0 0 557.452 3.787 1 0 KHAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)CC(C)C ZINC000026969688 561830346 /nfs/dbraw/zinc/83/03/46/561830346.db2.gz KFYQTBHXMOGBAB-MVNQZMKCSA-N 0 0 546.686 3.963 1 0 KHAFRN CCCOc1c(OC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO ZINC000026971710 561830474 /nfs/dbraw/zinc/83/04/74/561830474.db2.gz WXIDMVGKJBAEFP-RBUKOAKNSA-N 0 0 510.605 3.869 1 0 KHAFRN CCCOc1c(OC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO ZINC000026971717 561830456 /nfs/dbraw/zinc/83/04/56/561830456.db2.gz WXIDMVGKJBAEFP-MOPGFXCFSA-N 0 0 510.605 3.869 1 0 KHAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCn1ccccc1=O ZINC000026973235 561830577 /nfs/dbraw/zinc/83/05/77/561830577.db2.gz JGBSZAYMYUICNA-AWVRMFGXSA-N 0 0 525.646 3.565 1 0 KHAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCN1CCCCC1=O ZINC000026973241 561830608 /nfs/dbraw/zinc/83/06/08/561830608.db2.gz DKKJGEKJWRTLKY-AWVRMFGXSA-N 0 0 529.678 3.715 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1 ZINC000026973299 561830655 /nfs/dbraw/zinc/83/06/55/561830655.db2.gz QFLMAWWUGVKQOP-KZLGYGLBSA-N 0 0 722.928 3.687 1 0 KHAFRN CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)[NH2+]Cc1cnc[nH]1 ZINC000026974713 561830793 /nfs/dbraw/zinc/83/07/93/561830793.db2.gz KLEPGMNVHGHALJ-RFLWCCGPSA-N 0 0 525.719 3.892 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2cccnc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026977125 561831043 /nfs/dbraw/zinc/83/10/43/561831043.db2.gz MPUFYLGJTSPHOB-JOCHJYFZSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2cccnc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026977133 561831049 /nfs/dbraw/zinc/83/10/49/561831049.db2.gz MPUFYLGJTSPHOB-QFIPXVFZSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2cccnc2)c1=O)C(=O)C(F)(F)F ZINC000026978525 561831113 /nfs/dbraw/zinc/83/11/13/561831113.db2.gz DDCFYPCDGMUSGV-JOCHJYFZSA-N 0 0 529.519 3.504 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2cccnc2)c1=O)C(=O)C(F)(F)F ZINC000026978534 561831160 /nfs/dbraw/zinc/83/11/60/561831160.db2.gz DDCFYPCDGMUSGV-QFIPXVFZSA-N 0 0 529.519 3.504 1 0 KHAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026978541 561831144 /nfs/dbraw/zinc/83/11/44/561831144.db2.gz VCNRITFCECGWNQ-WZXFIOQESA-N 0 0 721.777 3.727 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2cccc(c2)OCCCCNC(=O)[C@H](C(C)C)NC1=O ZINC000026982003 561831411 /nfs/dbraw/zinc/83/14/11/561831411.db2.gz CSURAROSZFOMBV-YQYWCZHNSA-N 0 0 715.892 3.614 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026983123 561831648 /nfs/dbraw/zinc/83/16/48/561831648.db2.gz DBFPNNLXHJIBAO-HSZRJFAPSA-N 0 0 549.571 3.729 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026983129 561831670 /nfs/dbraw/zinc/83/16/70/561831670.db2.gz DBFPNNLXHJIBAO-QHCPKHFHSA-N 0 0 549.571 3.729 1 0 KHAFRN Cn1cc(Cc2cc(Oc3c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc3I)ccc2O)ccc1=O ZINC000026983565 561831664 /nfs/dbraw/zinc/83/16/64/561831664.db2.gz URRYMSWWCSAQTL-SFHVURJKSA-N 0 0 646.219 3.638 1 0 KHAFRN COC[C@H]1O[C@@H](Oc2cc(/C=C/c3cc(OC)cc(OC)c3)ccc2OC)[C@H](OC)[C@@H](OC)[C@@H]1OC ZINC000026983818 561831603 /nfs/dbraw/zinc/83/16/03/561831603.db2.gz SUCVNWYOBRSXKG-XWKSYUBDSA-N 0 0 504.576 3.678 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000026984640 561831684 /nfs/dbraw/zinc/83/16/84/561831684.db2.gz REMWHFWKWGUPSX-QVDBQUMVSA-N 0 0 708.856 3.967 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccn2)c1=O)C(=O)C(F)(F)F ZINC000026984650 561831697 /nfs/dbraw/zinc/83/16/97/561831697.db2.gz JTFGLFXSIGLHHQ-JOCHJYFZSA-N 0 0 529.519 3.504 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccn2)c1=O)C(=O)C(F)(F)F ZINC000026984657 561831732 /nfs/dbraw/zinc/83/17/32/561831732.db2.gz JTFGLFXSIGLHHQ-QFIPXVFZSA-N 0 0 529.519 3.504 1 0 KHAFRN CCCC[C@H]1OC(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)CC)N(C)C1=O ZINC000026984692 561831749 /nfs/dbraw/zinc/83/17/49/561831749.db2.gz UKAHRQGFRXYVFH-LPAVYJLKSA-N 0 0 639.831 3.585 1 0 KHAFRN CCCC[C@H]1OC(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@@H](C)OC(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)CC)N(C)C1=O ZINC000026984708 561831747 /nfs/dbraw/zinc/83/17/47/561831747.db2.gz UKAHRQGFRXYVFH-LOAHLPPLSA-N 0 0 639.831 3.585 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccn2)c1=O)C(=O)C(F)(F)F ZINC000026985105 561831900 /nfs/dbraw/zinc/83/19/00/561831900.db2.gz UQFRBUDGHOGQRJ-JOCHJYFZSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccn2)c1=O)C(=O)C(F)(F)F ZINC000026985113 561831858 /nfs/dbraw/zinc/83/18/58/561831858.db2.gz UQFRBUDGHOGQRJ-QFIPXVFZSA-N 0 0 530.503 3.931 1 0 KHAFRN CN1c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2C(N)=NS1(=O)=O ZINC000026985236 561831874 /nfs/dbraw/zinc/83/18/74/561831874.db2.gz HWTCYVNUTZNJJL-UHFFFAOYSA-N 0 0 523.210 3.736 1 0 KHAFRN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N1CCN(C)CC1)C(C)C ZINC000026986536 561831983 /nfs/dbraw/zinc/83/19/83/561831983.db2.gz MGATYTYGRGOEMV-RHAMUZCRSA-N 0 0 728.935 3.735 1 0 KHAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3cc[nH]c(=O)c3)c2)c(I)c1)C(=O)[O-] ZINC000026986813 561831942 /nfs/dbraw/zinc/83/19/42/561831942.db2.gz NWJUCIQBNSCSTH-KRWDZBQOSA-N 0 0 632.192 3.627 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026987365 561832115 /nfs/dbraw/zinc/83/21/15/561832115.db2.gz CVNQIEKSHLAVBX-NHKHRBQYSA-N 0 0 598.700 3.887 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCCCNC(=O)[C@H](C(C)C)NC1=O ZINC000026988665 561832263 /nfs/dbraw/zinc/83/22/63/561832263.db2.gz SFYLJGNBGITWFY-YQYWCZHNSA-N 0 0 715.892 3.614 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccncc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026993541 561832778 /nfs/dbraw/zinc/83/27/78/561832778.db2.gz PHTGQOYLTMJQER-JMGLEEQKSA-N 0 0 653.824 3.613 1 0 KHAFRN CSc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000026994056 561832995 /nfs/dbraw/zinc/83/29/95/561832995.db2.gz SUVMGYUHKSTITP-PXQQMZJSSA-N 0 0 659.897 3.589 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)C(c1ccccc1)c1ccccc1)C(N)=O ZINC000026994919 561833078 /nfs/dbraw/zinc/83/30/78/561833078.db2.gz ZSGAOIDLHPQPEQ-SUFMYBPMSA-N 0 0 695.655 3.555 1 0 KHAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccncc1)C[C@H](O)CN1CCN(Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026995451 561833257 /nfs/dbraw/zinc/83/32/57/561833257.db2.gz LGMBHWQZEHFJOS-WZXFIOQESA-N 0 0 721.777 3.727 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)CC(c1ccccc1)c1ccccc1)C(N)=O ZINC000026997012 561833362 /nfs/dbraw/zinc/83/33/62/561833362.db2.gz AJZIHCQRSOZQBX-XRPWQCROSA-N 0 0 709.682 3.945 1 0 KHAFRN Cc1cc2oc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)cc2cn1 ZINC000027073138 561833806 /nfs/dbraw/zinc/83/38/06/561833806.db2.gz AACGEOQWBRCPAI-GZQRKPJDSA-N 0 0 667.851 3.922 1 0 KHAFRN CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c2=O)c1 ZINC000027073277 561833820 /nfs/dbraw/zinc/83/38/20/561833820.db2.gz FZZUHPRSTQGLKU-XMMPIXPASA-N 0 0 592.596 3.547 1 0 KHAFRN CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2=O)c1 ZINC000027073284 561833804 /nfs/dbraw/zinc/83/38/04/561833804.db2.gz FZZUHPRSTQGLKU-DEOSSOPVSA-N 0 0 592.596 3.547 1 0 KHAFRN [NH3+][C@@H](Cc1cc(I)c(Sc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(I)c1)C(=O)[O-] ZINC000027073385 561833798 /nfs/dbraw/zinc/83/37/98/561833798.db2.gz HRRWNNOBDOWSFP-KRWDZBQOSA-N 0 0 648.260 3.986 1 0 KHAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(I)c1)C(=O)[O-] ZINC000027073400 561833833 /nfs/dbraw/zinc/83/38/33/561833833.db2.gz JWIOWZGZASWAIE-KRWDZBQOSA-N 0 0 632.192 3.627 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(I)c1)C(=O)[O-] ZINC000027073408 561833875 /nfs/dbraw/zinc/83/38/75/561833875.db2.gz JWIOWZGZASWAIE-QGZVFWFLSA-N 0 0 632.192 3.627 1 0 KHAFRN [NH3+][C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(Br)c1)C(=O)[O-] ZINC000027073810 561833812 /nfs/dbraw/zinc/83/38/12/561833812.db2.gz KLHHFISVIQTMLR-KRWDZBQOSA-N 0 0 538.192 3.943 1 0 KHAFRN CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+]CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000027075014 561834020 /nfs/dbraw/zinc/83/40/20/561834020.db2.gz KJECINJFNZWONV-WUFINQPMSA-N 0 0 582.657 3.566 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCCCc1ccccc1 ZINC000027075094 561834014 /nfs/dbraw/zinc/83/40/14/561834014.db2.gz JSYKJQOVAIGFCW-XEVVZDEMSA-N 0 0 639.591 3.800 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)C2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000027075141 561834001 /nfs/dbraw/zinc/83/40/01/561834001.db2.gz RIEJMCBTHBOYBR-ZRBLBEILSA-N 0 0 631.639 3.949 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccc(C(=O)C2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000027075147 561833971 /nfs/dbraw/zinc/83/39/71/561833971.db2.gz RIEJMCBTHBOYBR-VABKMULXSA-N 0 0 631.639 3.949 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)C2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000027075153 561833982 /nfs/dbraw/zinc/83/39/82/561833982.db2.gz RIEJMCBTHBOYBR-ZLNRFVROSA-N 0 0 631.639 3.949 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccc(C(=O)C2CCOCC2)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000027075160 561833980 /nfs/dbraw/zinc/83/39/80/561833980.db2.gz RIEJMCBTHBOYBR-VJBWXMMDSA-N 0 0 631.639 3.949 1 0 KHAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](SCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](SCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027077936 561834484 /nfs/dbraw/zinc/83/44/84/561834484.db2.gz AQSPQRYYUJKXGM-JQFCFGFHSA-N 0 0 684.880 3.861 1 0 KHAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](SCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](SCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027077944 561834507 /nfs/dbraw/zinc/83/45/07/561834507.db2.gz AQSPQRYYUJKXGM-XFLCUIDGSA-N 0 0 684.880 3.861 1 0 KHAFRN CCCc1nc(C(C)(C)O)c(C(=O)OCc2coc(=O)o2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027078207 561834597 /nfs/dbraw/zinc/83/45/97/561834597.db2.gz ACDJZFSANMRZLQ-UHFFFAOYSA-N 0 0 544.568 3.862 1 0 KHAFRN COc1cc2c(c(C(C)C)c1)C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O ZINC000027078566 561834663 /nfs/dbraw/zinc/83/46/63/561834663.db2.gz AGROLWZEYXFDEB-UHFFFAOYSA-N 0 0 587.478 3.795 1 0 KHAFRN Cc1cc(O)c(Cc2ccc(=O)[nH]c2)cc1Oc1c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc1I ZINC000027078679 561834575 /nfs/dbraw/zinc/83/45/75/561834575.db2.gz FNZYJKYPSSLXCI-KRWDZBQOSA-N 0 0 646.219 3.936 1 0 KHAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027079437 561834752 /nfs/dbraw/zinc/83/47/52/561834752.db2.gz SATUMOZSOUYLEG-ONYODVSHSA-N 0 0 692.806 3.857 1 0 KHAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027079448 561834748 /nfs/dbraw/zinc/83/47/48/561834748.db2.gz SATUMOZSOUYLEG-MQURAUCRSA-N 0 0 692.806 3.857 1 0 KHAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027079456 561834772 /nfs/dbraw/zinc/83/47/72/561834772.db2.gz CHPRWKVRTHNVDK-IABCWADSSA-N 0 0 656.826 3.579 1 0 KHAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027079464 561834738 /nfs/dbraw/zinc/83/47/38/561834738.db2.gz CHPRWKVRTHNVDK-PYVNSSTDSA-N 0 0 656.826 3.579 1 0 KHAFRN CCCCCOC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](N)C(=O)OCCCCC ZINC000027080441 561835034 /nfs/dbraw/zinc/83/50/34/561835034.db2.gz UPWZUZDLZQPYTA-DHIUTWEWSA-N 0 0 616.619 3.858 1 0 KHAFRN CCCCCOC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](N)C(=O)OCCCCC ZINC000027080447 561835010 /nfs/dbraw/zinc/83/50/10/561835010.db2.gz UPWZUZDLZQPYTA-PKTZIBPZSA-N 0 0 616.619 3.858 1 0 KHAFRN CCCCCOC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](N)C(=O)OCCCCC ZINC000027080453 561834987 /nfs/dbraw/zinc/83/49/87/561834987.db2.gz UPWZUZDLZQPYTA-XZOQPEGZSA-N 0 0 616.619 3.858 1 0 KHAFRN CCCCCOC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](N)C(=O)OCCCCC ZINC000027080460 561835003 /nfs/dbraw/zinc/83/50/03/561835003.db2.gz UPWZUZDLZQPYTA-GOTSBHOMSA-N 0 0 616.619 3.858 1 0 KHAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Sc1cccs1)[C@H](O)[C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027081094 561834985 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CC(C)C[C@H]1CCC(=O)OC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027195700 561844294 /nfs/dbraw/zinc/84/42/94/561844294.db2.gz PXHMLCBAGUJPKY-JQWBDLNTSA-N 0 0 659.821 3.718 1 0 KHAFRN CC(C)C[C@@H]1CCC(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027195705 561844261 /nfs/dbraw/zinc/84/42/61/561844261.db2.gz PXHMLCBAGUJPKY-LOLMJFKOSA-N 0 0 659.821 3.718 1 0 KHAFRN CC(C)C[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027195710 561844278 /nfs/dbraw/zinc/84/42/78/561844278.db2.gz PXHMLCBAGUJPKY-FEWUNMPKSA-N 0 0 659.821 3.718 1 0 KHAFRN O=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1 ZINC000027196550 561844427 /nfs/dbraw/zinc/84/44/27/561844427.db2.gz ZGSQQUUFGWQGEL-RPBOFIJWSA-N 0 0 575.518 3.727 1 0 KHAFRN CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1ccccc1 ZINC000027196734 561844357 /nfs/dbraw/zinc/84/43/57/561844357.db2.gz RNBNABRBLMLESP-QLPPAWOZSA-N 0 0 721.924 3.635 1 0 KHAFRN CCc1c2c(nc3cccc(OC)c31)-c1cc3c(c(=O)n1[C@@H]2OCC(F)(F)F)COC(=O)[C@]3(O)CC ZINC000027200014 561844928 /nfs/dbraw/zinc/84/49/28/561844928.db2.gz SDUYVDDXMIEOQT-VWNXMTODSA-N 0 0 504.461 3.728 1 0 KHAFRN CCc1c2c(nc3cccc(OC)c31)-c1cc3c(c(=O)n1[C@H]2OCC(F)(F)F)COC(=O)[C@]3(O)CC ZINC000027200019 561844931 /nfs/dbraw/zinc/84/49/31/561844931.db2.gz SDUYVDDXMIEOQT-UPVQGACJSA-N 0 0 504.461 3.728 1 0 KHAFRN O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1 ZINC000027200250 561844917 /nfs/dbraw/zinc/84/49/17/561844917.db2.gz ZNNGNRAVHSUUKA-RPBOFIJWSA-N 0 0 575.518 3.727 1 0 KHAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027205368 561845874 /nfs/dbraw/zinc/84/58/74/561845874.db2.gz QRJUFNKCBDLAKR-UHFFFAOYSA-N 0 0 564.687 3.881 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027205802 561845929 /nfs/dbraw/zinc/84/59/29/561845929.db2.gz CZJDJQPIKKCDGV-WXIAYYLYSA-N 0 0 580.641 3.562 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(c1ccccc1)c1ccccc1 ZINC000027206427 561846117 /nfs/dbraw/zinc/84/61/17/561846117.db2.gz FSPMPGPDTBXDDA-RPLLCQBOSA-N 0 0 543.668 3.996 1 0 KHAFRN CC[C@@H](C)N(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O ZINC000027207448 561846200 /nfs/dbraw/zinc/84/62/00/561846200.db2.gz UCZKNHGSSOPAGH-ZIIROOFJSA-N 0 0 666.288 3.991 1 0 KHAFRN CC[C@H](C)N(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O ZINC000027207452 561846209 /nfs/dbraw/zinc/84/62/09/561846209.db2.gz UCZKNHGSSOPAGH-JYJPFYCCSA-N 0 0 666.288 3.991 1 0 KHAFRN C[NH+](C)CCCCCC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](CC(=O)[O-])C(=O)COC(=O)c2c(Cl)cccc2Cl)c1=O ZINC000027207834 561846311 /nfs/dbraw/zinc/84/63/11/561846311.db2.gz BZTWHFFWNONQQR-HSZRJFAPSA-N 0 0 706.555 3.802 1 0 KHAFRN CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027208034 561846446 /nfs/dbraw/zinc/84/64/46/561846446.db2.gz DSBIOASPUMNISZ-FQLXRVMXSA-N 0 0 624.207 3.581 1 0 KHAFRN CC(C)CCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000027208334 561846450 /nfs/dbraw/zinc/84/64/50/561846450.db2.gz XMMFPJKTYCBGFE-JZAZUBFBSA-N 0 0 602.861 3.981 1 0 KHAFRN CC(C)CCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000027208338 561846415 /nfs/dbraw/zinc/84/64/15/561846415.db2.gz XMMFPJKTYCBGFE-JTIUXVIHSA-N 0 0 602.861 3.981 1 0 KHAFRN CC(C)CCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000027208341 561846460 /nfs/dbraw/zinc/84/64/60/561846460.db2.gz XMMFPJKTYCBGFE-BTAMTHSQSA-N 0 0 602.861 3.981 1 0 KHAFRN CC(C)CCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000027208345 561846405 /nfs/dbraw/zinc/84/64/05/561846405.db2.gz XMMFPJKTYCBGFE-BOMIQAJLSA-N 0 0 602.861 3.981 1 0 KHAFRN CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)cc(c2O)[C@@H](OC)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O ZINC000027208384 561846456 /nfs/dbraw/zinc/84/64/56/561846456.db2.gz QCXSABHHRSWSID-FQTAVZARSA-N 0 0 562.660 3.703 1 0 KHAFRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027208444 561846552 /nfs/dbraw/zinc/84/65/52/561846552.db2.gz PTONYPXFMSECSH-AVUDXFIYSA-N 0 0 594.668 3.952 1 0 KHAFRN COc1cc2c(cc1OCCCn1ccnn1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027209039 561846652 /nfs/dbraw/zinc/84/66/52/561846652.db2.gz RJOPPCRDNXPHEL-UHFFFAOYSA-N 0 0 546.632 3.840 1 0 KHAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027209598 561846857 /nfs/dbraw/zinc/84/68/57/561846857.db2.gz CZJDJQPIKKCDGV-HFLBTKGNSA-N 0 0 580.641 3.562 1 0 KHAFRN CCCC[C@@H]1COC(=O)CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027210287 561846924 /nfs/dbraw/zinc/84/69/24/561846924.db2.gz NHIDXNXRBZTBGE-VABWOUDCSA-N 0 0 659.821 3.862 1 0 KHAFRN CCCC[C@H]1COC(=O)CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027210290 561846931 /nfs/dbraw/zinc/84/69/31/561846931.db2.gz NHIDXNXRBZTBGE-RKBVRRORSA-N 0 0 659.821 3.862 1 0 KHAFRN CCCC[C@@H]1COC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027210293 561846896 /nfs/dbraw/zinc/84/68/96/561846896.db2.gz NHIDXNXRBZTBGE-FEWUNMPKSA-N 0 0 659.821 3.862 1 0 KHAFRN CCCC[C@H]1COC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027210297 561847073 /nfs/dbraw/zinc/84/70/73/561847073.db2.gz NHIDXNXRBZTBGE-LOLMJFKOSA-N 0 0 659.821 3.862 1 0 KHAFRN COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OCCOC ZINC000027210388 561847070 /nfs/dbraw/zinc/84/70/70/561847070.db2.gz XLPRFHHHAVYDKP-UHFFFAOYSA-N 0 0 539.633 3.822 1 0 KHAFRN CC(C)CN(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O ZINC000027210436 561847068 /nfs/dbraw/zinc/84/70/68/561847068.db2.gz KOMFHERAGYEJOY-ROJLCIKYSA-N 0 0 666.288 3.848 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027210816 561847231 /nfs/dbraw/zinc/84/72/31/561847231.db2.gz CZJDJQPIKKCDGV-BPXGVECKSA-N 0 0 580.641 3.562 1 0 KHAFRN O=C(Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C1CC1 ZINC000027211009 561847179 /nfs/dbraw/zinc/84/71/79/561847179.db2.gz BJZDXXDYKCWATQ-FQLXRVMXSA-N 0 0 586.136 3.779 1 0 KHAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027211513 561847324 /nfs/dbraw/zinc/84/73/24/561847324.db2.gz CZJDJQPIKKCDGV-ZZXHUEHTSA-N 0 0 580.641 3.562 1 0 KHAFRN CCS(=O)(=O)CCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC ZINC000027211525 561847314 /nfs/dbraw/zinc/84/73/14/561847314.db2.gz UGCKGZAGSUTTKH-UHFFFAOYSA-N 0 0 571.700 3.983 1 0 KHAFRN Cc1cccc2c1[C@@]1([C@@]34C[C@H]5C(=O)N[C@@H](Cc6ccccc6)C(=O)N5[C@H]3Nc3cccc(C)c34)C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@H]1N2 ZINC000027212390 561847466 /nfs/dbraw/zinc/84/74/66/561847466.db2.gz MJYZBJNRPZZIEB-VFFBTRMTSA-N 0 0 692.820 3.666 1 0 KHAFRN Cc1cccc2c1[C@@]1([C@]34C[C@H]5C(=O)N[C@@H](Cc6ccccc6)C(=O)N5[C@H]3Nc3cccc(C)c34)C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@H]1N2 ZINC000027212396 561847450 /nfs/dbraw/zinc/84/74/50/561847450.db2.gz MJYZBJNRPZZIEB-WWIIWNMPSA-N 0 0 692.820 3.666 1 0 KHAFRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027212549 561847452 /nfs/dbraw/zinc/84/74/52/561847452.db2.gz PTONYPXFMSECSH-HYJYBNJOSA-N 0 0 594.668 3.952 1 0 KHAFRN CCN1CCN(C(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)CC1 ZINC000027213183 561847735 /nfs/dbraw/zinc/84/77/35/561847735.db2.gz LMHXGPBXUYRDDA-MHZLTWQESA-N 0 0 630.255 3.578 1 0 KHAFRN COc1cc2c(cc1OCCCn1nccn1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027213446 561847730 /nfs/dbraw/zinc/84/77/30/561847730.db2.gz GMDBDZZVUXLNGG-UHFFFAOYSA-N 0 0 546.632 3.840 1 0 KHAFRN CCOC(=O)N1CCN(C(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)CC1 ZINC000027214604 561847994 /nfs/dbraw/zinc/84/79/94/561847994.db2.gz JERVARGQNLUPFY-MHZLTWQESA-N 0 0 674.264 3.714 1 0 KHAFRN CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000027214679 561848076 /nfs/dbraw/zinc/84/80/76/561848076.db2.gz XMMFPJKTYCBGFE-PQSNHZSZSA-N 0 0 602.861 3.981 1 0 KHAFRN CN(C)C(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027214865 561848020 /nfs/dbraw/zinc/84/80/20/561848020.db2.gz QVWCPGZXFYIAAD-VSGBNLITSA-N 0 0 589.140 3.524 1 0 KHAFRN Cc1ccc(S(=O)(=O)NCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)C(=O)[O-])cc1 ZINC000027215386 561848114 /nfs/dbraw/zinc/84/81/14/561848114.db2.gz ZAJDMTLZCCTTNJ-DTXPUJKBSA-N 0 0 622.788 3.877 1 0 KHAFRN CCOC(=O)NC(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027215461 561848255 /nfs/dbraw/zinc/84/82/55/561848255.db2.gz OQOVXSRTDCGOBU-VSGBNLITSA-N 0 0 633.149 3.709 1 0 KHAFRN COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OCCN1CCOCC1 ZINC000027215795 561848424 /nfs/dbraw/zinc/84/84/24/561848424.db2.gz SMTGPWYIMAZLPQ-UHFFFAOYSA-N 0 0 594.713 3.507 1 0 KHAFRN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000027215895 561848430 /nfs/dbraw/zinc/84/84/30/561848430.db2.gz WLVMBBRKTBSPIQ-FQLXRVMXSA-N 0 0 618.569 3.724 1 0 KHAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000027298901 561848718 /nfs/dbraw/zinc/84/87/18/561848718.db2.gz NTNHATOYRNLKBO-MAOYHHIOSA-N 0 0 549.672 3.908 1 0 KHAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000027298908 561848717 /nfs/dbraw/zinc/84/87/17/561848717.db2.gz NTNHATOYRNLKBO-VHHCBXJQSA-N 0 0 549.672 3.908 1 0 KHAFRN CC(C)N(CC(=O)N(C(C)C)C(C)C)C(=O)CN(C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C ZINC000027299295 561848789 /nfs/dbraw/zinc/84/87/89/561848789.db2.gz YBLXDTQIBAPWTO-FQLXRVMXSA-N 0 0 627.827 3.898 1 0 KHAFRN Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1[nH]cc[nH+]1)CC2)C(=O)[O-] ZINC000027299705 561848785 /nfs/dbraw/zinc/84/87/85/561848785.db2.gz ICTXJDJNDUREMP-NRFUFCHMSA-N 0 0 593.706 3.854 1 0 KHAFRN COc1ccc(S(=O)(=O)NCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)C(=O)[O-])cc1 ZINC000027300174 561848914 /nfs/dbraw/zinc/84/89/14/561848914.db2.gz LXCTYQRQUPZROK-DTXPUJKBSA-N 0 0 638.787 3.577 1 0 KHAFRN Cc1c2ccccc2oc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCN4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027305112 561849492 /nfs/dbraw/zinc/84/94/92/561849492.db2.gz LIBMUEXZRDULDC-UHFFFAOYSA-N 0 0 611.703 3.990 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCCN1CCSCC1 ZINC000027305779 561849594 /nfs/dbraw/zinc/84/95/94/561849594.db2.gz ISUQRVUBWUHZDD-UHFFFAOYSA-N 0 0 667.796 3.786 1 0 KHAFRN C[C@H]1N(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000027306449 561849825 /nfs/dbraw/zinc/84/98/25/561849825.db2.gz FCFKJOWODDPWSL-QKFKETGDSA-N 0 0 542.436 3.819 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4nsc(Cl)c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027306499 561849798 /nfs/dbraw/zinc/84/97/98/561849798.db2.gz ZODRCAXZRUKQLT-UHFFFAOYSA-N 0 0 633.562 3.699 1 0 KHAFRN CCCCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)n(C)c2)nc1 ZINC000027306861 561849752 /nfs/dbraw/zinc/84/97/52/561849752.db2.gz NNBXDNKGOREQPD-UHFFFAOYSA-N 0 0 614.751 3.673 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027306932 561849748 /nfs/dbraw/zinc/84/97/48/561849748.db2.gz BHAOVQZPHHFHMY-UHFFFAOYSA-N 0 0 592.100 3.589 1 0 KHAFRN CSc1ccsc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCN4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027306938 561849771 /nfs/dbraw/zinc/84/97/71/561849771.db2.gz VKPLQYDQZDXWGW-UHFFFAOYSA-N 0 0 609.778 3.719 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCCN1CCOCC1 ZINC000027307396 561849844 /nfs/dbraw/zinc/84/98/44/561849844.db2.gz ODOHDRIWJSPECP-UHFFFAOYSA-N 0 0 655.181 3.626 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027307727 561850075 /nfs/dbraw/zinc/85/00/75/561850075.db2.gz RJUMLLOLJXPKIX-UHFFFAOYSA-N 0 0 592.100 3.589 1 0 KHAFRN COc1cc(Cl)ccc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCN4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027307964 561850045 /nfs/dbraw/zinc/85/00/45/561850045.db2.gz SPARRVNLTHLHNS-UHFFFAOYSA-N 0 0 622.126 3.598 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308164 561850049 /nfs/dbraw/zinc/85/00/49/561850049.db2.gz SRHAHXLYOJHQCI-UHFFFAOYSA-N 0 0 641.651 3.834 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(F)cc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308170 561850011 /nfs/dbraw/zinc/85/00/11/561850011.db2.gz QSRCZMBOUYHHKQ-UHFFFAOYSA-N 0 0 610.090 3.728 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cc5cc6c(cc5s4)OCO6)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308253 561849998 /nfs/dbraw/zinc/84/99/98/561849998.db2.gz XUNGACAFCAVDMG-UHFFFAOYSA-N 0 0 657.753 3.879 1 0 KHAFRN CC(C)S(=O)(=O)c1csc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)n(C)c2)c1Cl ZINC000027308272 561849990 /nfs/dbraw/zinc/84/99/90/561849990.db2.gz SPHPNFOAHDNTSR-UHFFFAOYSA-N 0 0 704.275 3.833 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cccc(Cl)c4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308340 561850233 /nfs/dbraw/zinc/85/02/33/561850233.db2.gz VOXJTPFBZGDKOA-UHFFFAOYSA-N 0 0 592.100 3.589 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sccc4Br)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308737 561850268 /nfs/dbraw/zinc/85/02/68/561850268.db2.gz CQKZAOBEGHLREB-UHFFFAOYSA-N 0 0 642.580 3.760 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4F)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308960 561850349 /nfs/dbraw/zinc/85/03/49/561850349.db2.gz CRPKIIITBKQQIJ-UHFFFAOYSA-N 0 0 610.090 3.728 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)s4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027310022 561850507 /nfs/dbraw/zinc/85/05/07/561850507.db2.gz BNIIRCKEWQYPGW-UHFFFAOYSA-N 0 0 598.129 3.651 1 0 KHAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl ZINC000027310152 561850436 /nfs/dbraw/zinc/85/04/36/561850436.db2.gz RDHMYYSIDSBLQN-XMMPIXPASA-N 0 0 638.545 3.888 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl ZINC000027310158 561850479 /nfs/dbraw/zinc/85/04/79/561850479.db2.gz RDHMYYSIDSBLQN-DEOSSOPVSA-N 0 0 638.545 3.888 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4nsc5ccccc54)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027310468 561850629 /nfs/dbraw/zinc/85/06/29/561850629.db2.gz ZZKLKQJWXLZCIJ-UHFFFAOYSA-N 0 0 614.732 3.545 1 0 KHAFRN CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027310738 561850572 /nfs/dbraw/zinc/85/05/72/561850572.db2.gz QACRDKDGECAJPD-VIICAESSSA-N 0 0 508.750 3.821 1 0 KHAFRN O=C([O-])[C@H](CNC(=O)C1=NO[C@@H](CCCCNc2[nH]cc[nH+]2)C1)NS(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl ZINC000027311092 561850849 /nfs/dbraw/zinc/85/08/49/561850849.db2.gz FHIDQJNETPMUKT-AVRDEDQJSA-N 0 0 623.519 3.659 1 0 KHAFRN O=C([O-])[C@H](CNC(=O)C1=NO[C@H](CCCCNc2[nH]cc[nH+]2)C1)NS(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl ZINC000027311098 561850803 /nfs/dbraw/zinc/85/08/03/561850803.db2.gz FHIDQJNETPMUKT-GCJKJVERSA-N 0 0 623.519 3.659 1 0 KHAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cc5ccccc5o4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027311659 561850818 /nfs/dbraw/zinc/85/08/18/561850818.db2.gz DIWCPSAHOGOCJL-UHFFFAOYSA-N 0 0 597.676 3.682 1 0 KHAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000027313666 561851162 /nfs/dbraw/zinc/85/11/62/561851162.db2.gz HKENAOWDNSXKTO-SIKLNZKXSA-N 0 0 672.584 3.586 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000027313672 561851227 /nfs/dbraw/zinc/85/12/27/561851227.db2.gz HKENAOWDNSXKTO-UGKGYDQZSA-N 0 0 672.584 3.586 1 0 KHAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000027313677 561851202 /nfs/dbraw/zinc/85/12/02/561851202.db2.gz HKENAOWDNSXKTO-DENIHFKCSA-N 0 0 672.584 3.586 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000027313683 561851256 /nfs/dbraw/zinc/85/12/56/561851256.db2.gz HKENAOWDNSXKTO-KNQAVFIVSA-N 0 0 672.584 3.586 1 0 KHAFRN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)c1Cl ZINC000027313689 561851221 /nfs/dbraw/zinc/85/12/21/561851221.db2.gz QCANGWOIIXKSFD-GDLZYMKVSA-N 0 0 722.600 3.808 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)c1Cl ZINC000027313695 561851172 /nfs/dbraw/zinc/85/11/72/561851172.db2.gz QCANGWOIIXKSFD-LJAQVGFWSA-N 0 0 722.600 3.808 1 0 KHAFRN Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027315284 561851485 /nfs/dbraw/zinc/85/14/85/561851485.db2.gz VQHADWSLWDMKIU-NUJSINJASA-N 0 0 524.731 3.584 1 0 KHAFRN CC(=O)Nc1cccc(Cl)c1C(=O)OCC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027315756 561851482 /nfs/dbraw/zinc/85/14/82/561851482.db2.gz JNTOISNQMYUMTP-HTAPYJJXSA-N 0 0 546.020 3.870 1 0 KHAFRN CC(=O)Nc1cccc(Cl)c1C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027315762 561851531 /nfs/dbraw/zinc/85/15/31/561851531.db2.gz JNTOISNQMYUMTP-JTSKRJEESA-N 0 0 546.020 3.870 1 0 KHAFRN CC(=O)Nc1cccc(Cl)c1C(=O)OCC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027315768 561851700 /nfs/dbraw/zinc/85/17/00/561851700.db2.gz JNTOISNQMYUMTP-VGOFRKELSA-N 0 0 546.020 3.870 1 0 KHAFRN CC(=O)Nc1cccc(Cl)c1C(=O)OCC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027315774 561851659 /nfs/dbraw/zinc/85/16/59/561851659.db2.gz JNTOISNQMYUMTP-VGSWGCGISA-N 0 0 546.020 3.870 1 0 KHAFRN CC(C)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027315836 561851610 /nfs/dbraw/zinc/85/16/10/561851610.db2.gz OKWVBKZJCPLWSG-RRPNLBNLSA-N 0 0 623.653 3.876 1 0 KHAFRN CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027315842 561851654 /nfs/dbraw/zinc/85/16/54/561851654.db2.gz OKWVBKZJCPLWSG-SVBPBHIXSA-N 0 0 623.653 3.876 1 0 KHAFRN CC(C)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027315848 561851681 /nfs/dbraw/zinc/85/16/81/561851681.db2.gz OKWVBKZJCPLWSG-KAYWLYCHSA-N 0 0 623.653 3.876 1 0 KHAFRN CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027315854 561851652 /nfs/dbraw/zinc/85/16/52/561851652.db2.gz OKWVBKZJCPLWSG-SXOMAYOGSA-N 0 0 623.653 3.876 1 0 KHAFRN C[C@H]1N(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)C[C@H](O)O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000027316048 561851608 /nfs/dbraw/zinc/85/16/08/561851608.db2.gz FOPZKIGHPBNYAX-HCVAFPHWSA-N 0 0 544.452 3.611 1 0 KHAFRN CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027316455 561851738 /nfs/dbraw/zinc/85/17/38/561851738.db2.gz JUQIJBWAKSXUMM-HXVQJGFHSA-N 0 0 530.731 3.951 1 0 KHAFRN Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027317790 561852078 /nfs/dbraw/zinc/85/20/78/561852078.db2.gz JFFRUUYEZXEWSD-ZLIGTFTASA-N 0 0 510.704 3.953 1 0 KHAFRN CN(C)[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027318259 561852020 /nfs/dbraw/zinc/85/20/20/561852020.db2.gz OWIZAOWCVQVVKC-GNYDIZNJSA-N 0 0 567.800 3.503 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1cccnc1)C2 ZINC000027318312 561852012 /nfs/dbraw/zinc/85/20/12/561852012.db2.gz RQQOFCUQMQZPCR-FRDKBHKLSA-N 0 0 535.710 3.759 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)c1c[nH]cn1)C2 ZINC000027318316 561852051 /nfs/dbraw/zinc/85/20/51/561852051.db2.gz RWWVMSRMQBBNKT-WSKPFNCBSA-N 0 0 616.850 3.549 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)c1c[nH]cn1)C2 ZINC000027318327 561852041 /nfs/dbraw/zinc/85/20/41/561852041.db2.gz RWWVMSRMQBBNKT-GTHNRUEPSA-N 0 0 616.850 3.549 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccccn1)C2 ZINC000027319136 561852294 /nfs/dbraw/zinc/85/22/94/561852294.db2.gz NAYATJDRTUZUHI-GTTXMTDLSA-N 0 0 549.737 3.688 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH]cn1)C2 ZINC000027319357 561852351 /nfs/dbraw/zinc/85/23/51/561852351.db2.gz VOAPNCFXGPNKGC-NUJSINJASA-N 0 0 539.746 3.756 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1ccnc1)C2 ZINC000027319645 561852402 /nfs/dbraw/zinc/85/24/02/561852402.db2.gz CCXMZTSJGNBYIC-ZXDNMGRFSA-N 0 0 510.704 3.504 1 0 KHAFRN Cc1ccc(-n2ccc(CN3CCN(C[C@@H](O)C[C@@H](Cc4cccnc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)c2)cc1 ZINC000027320294 561852396 /nfs/dbraw/zinc/85/23/96/561852396.db2.gz BKEXZOJHHKGPBQ-SSWFPHBZSA-N 0 0 734.820 3.566 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCn1ccnc1)C2 ZINC000027320398 561852390 /nfs/dbraw/zinc/85/23/90/561852390.db2.gz TWTORTJARQLAII-OBZNHSRCSA-N 0 0 524.731 3.894 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH]cn1)C2 ZINC000027320403 561852568 /nfs/dbraw/zinc/85/25/68/561852568.db2.gz LHYVGMICRQIVJI-NUJSINJASA-N 0 0 524.731 3.963 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH]cn3)C1=O)C2 ZINC000027320442 561852597 /nfs/dbraw/zinc/85/25/97/561852597.db2.gz ORUIMDPDDQOBCV-YDIMZXDKSA-N 0 0 565.740 3.679 1 0 KHAFRN COC(=O)CCN(C(=O)Cc1cn(C)cn1)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027321199 561852727 /nfs/dbraw/zinc/85/27/27/561852727.db2.gz QXGOFOWWBUNTSX-CEQYTIJJSA-N 0 0 610.821 3.859 1 0 KHAFRN COC(=O)c1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)oc2c1 ZINC000027322066 561852859 /nfs/dbraw/zinc/85/28/59/561852859.db2.gz VQGVXSOUZIRJMQ-RNXOBYDBSA-N 0 0 606.676 3.880 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(CO)ccc2o1 ZINC000027322281 561852812 /nfs/dbraw/zinc/85/28/12/561852812.db2.gz QANSRACKNFOXFE-RNXOBYDBSA-N 0 0 578.666 3.586 1 0 KHAFRN COC(=O)Cc1ccc2oc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)nc2c1 ZINC000027322287 561852858 /nfs/dbraw/zinc/85/28/58/561852858.db2.gz CZUVKDUJAMDWKZ-WIRXVTQYSA-N 0 0 620.703 3.809 1 0 KHAFRN CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027322353 561852798 /nfs/dbraw/zinc/85/27/98/561852798.db2.gz RJVJCZBVIWJDJU-MQPGQAEESA-N 0 0 621.910 3.752 1 0 KHAFRN CCN(CC)[C@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027322360 561852822 /nfs/dbraw/zinc/85/28/22/561852822.db2.gz RJVJCZBVIWJDJU-WJHMBHGISA-N 0 0 621.910 3.752 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1csc(N)n1)C2 ZINC000027322366 561852810 /nfs/dbraw/zinc/85/28/10/561852810.db2.gz IVMSSIKLOGXKSF-FPUALCIBSA-N 0 0 542.771 3.889 1 0 KHAFRN Cc1ccccc1-n1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@H]3c4ccccc4OC[C@H]3O)[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000027323079 561853030 /nfs/dbraw/zinc/85/30/30/561853030.db2.gz CEXRANZMBATAHS-QHQMVRJISA-N 0 0 734.820 3.566 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccncc1)C2 ZINC000027323503 561853082 /nfs/dbraw/zinc/85/30/82/561853082.db2.gz NNZDLNFSZAVXNA-FRDKBHKLSA-N 0 0 535.710 3.759 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccccn1)C2 ZINC000027323510 561853168 /nfs/dbraw/zinc/85/31/68/561853168.db2.gz IWWVICGUVNGTPR-STQWGSIPSA-N 0 0 535.710 3.759 1 0 KHAFRN Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 ZINC000027323564 561853159 /nfs/dbraw/zinc/85/31/59/561853159.db2.gz PFIPCRNFBIQXNW-NUJSINJASA-N 0 0 524.731 3.584 1 0 KHAFRN Cc1cccc(-n2ccc(CN3CCN(C[C@@H](O)C[C@@H](Cc4cccnc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000027323774 561853134 /nfs/dbraw/zinc/85/31/34/561853134.db2.gz CRGBWRPKHYQBLG-SSWFPHBZSA-N 0 0 734.820 3.566 1 0 KHAFRN O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000027327369 561853958 /nfs/dbraw/zinc/85/39/58/561853958.db2.gz VHSFDHVDDFKHMZ-IGBKUBFESA-N 0 0 633.671 3.579 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)[C@@H]3CCC(=N)N3C1=O)C2 ZINC000027328670 561854250 /nfs/dbraw/zinc/85/42/50/561854250.db2.gz ZKXGPDWYRJXINB-QENHYCSXSA-N 0 0 538.714 3.895 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)[C@H]3CCC(=N)N3C1=O)C2 ZINC000027328680 561854289 /nfs/dbraw/zinc/85/42/89/561854289.db2.gz ZKXGPDWYRJXINB-VBWPBCICSA-N 0 0 538.714 3.895 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccncc1)C2 ZINC000027328959 561854472 /nfs/dbraw/zinc/85/44/72/561854472.db2.gz NGBDRQUIPVYXEX-IUNZSJPTSA-N 0 0 549.737 3.688 1 0 KHAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1cccnc1)C2 ZINC000027328964 561854475 /nfs/dbraw/zinc/85/44/75/561854475.db2.gz PCUKLINYEPRYIY-IUNZSJPTSA-N 0 0 549.737 3.688 1 0 KHAFRN Nc1nc2c(ncn2CCCCCCCCCCCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OCc2cc(Br)cs2)n1 ZINC000027330267 561854712 /nfs/dbraw/zinc/85/47/12/561854712.db2.gz PSVPDTKUYKVHTK-QKODEBQUSA-N 0 0 672.643 3.529 1 0 KHAFRN Nc1nc2c(ncn2CCCCCCCCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OCc2cc(Br)cs2)n1 ZINC000027330270 561854748 /nfs/dbraw/zinc/85/47/48/561854748.db2.gz PSVPDTKUYKVHTK-AUENEMLZSA-N 0 0 672.643 3.529 1 0 KHAFRN Nc1nc2c(ncn2CCCCCCCCCCCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(OCc2cc(Br)cs2)n1 ZINC000027330273 561854721 /nfs/dbraw/zinc/85/47/21/561854721.db2.gz PSVPDTKUYKVHTK-ALBKCDHPSA-N 0 0 672.643 3.529 1 0 KHAFRN Nc1nc2c(ncn2CCCCCCCCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(OCc2cc(Br)cs2)n1 ZINC000027330276 561854769 /nfs/dbraw/zinc/85/47/69/561854769.db2.gz PSVPDTKUYKVHTK-HWGAATHTSA-N 0 0 672.643 3.529 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000027330399 561854731 /nfs/dbraw/zinc/85/47/31/561854731.db2.gz FOBRVMHYTDWMJG-YTFSRNRJSA-N 0 0 565.589 3.660 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000027330405 561854710 /nfs/dbraw/zinc/85/47/10/561854710.db2.gz FOBRVMHYTDWMJG-RJGXRXQPSA-N 0 0 565.589 3.660 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc21 ZINC000027330419 561854706 /nfs/dbraw/zinc/85/47/06/561854706.db2.gz SFOHMHDPSOPFJL-DNQXCXABSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc21 ZINC000027330422 561854742 /nfs/dbraw/zinc/85/47/42/561854742.db2.gz SFOHMHDPSOPFJL-BJKOFHAPSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc21 ZINC000027330425 561854728 /nfs/dbraw/zinc/85/47/28/561854728.db2.gz SFOHMHDPSOPFJL-RPWUZVMVSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027331659 561855143 /nfs/dbraw/zinc/85/51/43/561855143.db2.gz WNSZSZRXSNLYSL-ILBGXUMGSA-N 0 0 520.630 3.632 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027331663 561855154 /nfs/dbraw/zinc/85/51/54/561855154.db2.gz WNSZSZRXSNLYSL-UKILVPOCSA-N 0 0 520.630 3.632 1 0 KHAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027331667 561855155 /nfs/dbraw/zinc/85/51/55/561855155.db2.gz WNSZSZRXSNLYSL-NOZRDPDXSA-N 0 0 520.630 3.632 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1 ZINC000027405590 561855451 /nfs/dbraw/zinc/85/54/51/561855451.db2.gz BOYYJGURIUGTOY-OIFRRMEBSA-N 0 0 602.732 3.540 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1 ZINC000027405598 561855432 /nfs/dbraw/zinc/85/54/32/561855432.db2.gz BOYYJGURIUGTOY-DYIKCSJPSA-N 0 0 602.732 3.540 1 0 KHAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc43)c2C)cn1 ZINC000027405938 561855452 /nfs/dbraw/zinc/85/54/52/561855452.db2.gz MXANJYXGXRZELX-SDNWHVSQSA-N 0 0 552.635 3.681 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027406385 561855533 /nfs/dbraw/zinc/85/55/33/561855533.db2.gz LWZDBQBMLCPSSM-ILBGXUMGSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027406389 561855501 /nfs/dbraw/zinc/85/55/01/561855501.db2.gz LWZDBQBMLCPSSM-UKILVPOCSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027406393 561855485 /nfs/dbraw/zinc/85/54/85/561855485.db2.gz LWZDBQBMLCPSSM-NOZRDPDXSA-N 0 0 518.614 3.656 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccccc1 ZINC000027406921 561855640 /nfs/dbraw/zinc/85/56/40/561855640.db2.gz MRMDMJWTKTVMPI-UPRLRBBYSA-N 0 0 557.691 3.663 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccccc1 ZINC000027406929 561855654 /nfs/dbraw/zinc/85/56/54/561855654.db2.gz MRMDMJWTKTVMPI-HZFUHODCSA-N 0 0 557.691 3.663 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000027407668 561855727 /nfs/dbraw/zinc/85/57/27/561855727.db2.gz NRYJQWJSMMVVFJ-OYUWMTPXSA-N 0 0 547.652 3.794 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000027407676 561855715 /nfs/dbraw/zinc/85/57/15/561855715.db2.gz NRYJQWJSMMVVFJ-GMQQYTKMSA-N 0 0 547.652 3.794 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc2ccccc21 ZINC000027407685 561855879 /nfs/dbraw/zinc/85/58/79/561855879.db2.gz ODDXFSGPQQWPEO-OYUWMTPXSA-N 0 0 547.652 3.794 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc2ccccc21 ZINC000027407694 561855865 /nfs/dbraw/zinc/85/58/65/561855865.db2.gz ODDXFSGPQQWPEO-GMQQYTKMSA-N 0 0 547.652 3.794 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027407882 561855871 /nfs/dbraw/zinc/85/58/71/561855871.db2.gz BXUSCFDRWLTJIE-CLJLJLNGSA-N 0 0 528.653 3.525 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027407887 561855890 /nfs/dbraw/zinc/85/58/90/561855890.db2.gz BXUSCFDRWLTJIE-IZZNHLLZSA-N 0 0 528.653 3.525 1 0 KHAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027407889 561855891 /nfs/dbraw/zinc/85/58/91/561855891.db2.gz BXUSCFDRWLTJIE-FTJBHMTQSA-N 0 0 528.653 3.525 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027407890 561855870 /nfs/dbraw/zinc/85/58/70/561855870.db2.gz BXUSCFDRWLTJIE-UIOOFZCWSA-N 0 0 528.653 3.525 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000027407955 561855893 /nfs/dbraw/zinc/85/58/93/561855893.db2.gz UBSVHRAWRVGJQR-XJDANDCZSA-N 0 0 624.823 3.889 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2CN(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000027408879 561855971 /nfs/dbraw/zinc/85/59/71/561855971.db2.gz HZERTLNBHOHXEE-PVHODMMVSA-N 0 0 545.684 3.943 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2CN(Cc3ccccc3)C(=O)C[C@H]12 ZINC000027409847 561856162 /nfs/dbraw/zinc/85/61/62/561856162.db2.gz HZERTLNBHOHXEE-GMQQYTKMSA-N 0 0 545.684 3.943 1 0 KHAFRN NC(=O)c1c[nH]c2ccc(-c3ccc(Nc4nccc(-c5ccc(S(=O)(=O)N6CCNCC6)cc5)n4)cc3)cc21 ZINC000027410562 561856320 /nfs/dbraw/zinc/85/63/20/561856320.db2.gz VAYBIKAXZPWVBH-UHFFFAOYSA-N 0 0 553.648 3.728 1 0 KHAFRN 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/nfs/dbraw/zinc/86/85/29/561868529.db2.gz OEURZGFVXPBWAA-UHFFFAOYSA-N 0 0 675.789 3.821 1 0 KHAFRN COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1OC(C)=O ZINC000027553037 561868583 /nfs/dbraw/zinc/86/85/83/561868583.db2.gz ZLKINJKGBMLCTE-NDEPHWFRSA-N 0 0 650.681 3.782 1 0 KHAFRN COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1OC(C)=O ZINC000027553040 561868629 /nfs/dbraw/zinc/86/86/29/561868629.db2.gz ZLKINJKGBMLCTE-MUUNZHRXSA-N 0 0 650.681 3.782 1 0 KHAFRN COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5cc(OC)c(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027553174 561868598 /nfs/dbraw/zinc/86/85/98/561868598.db2.gz PMAOFOOIOIEZEQ-SANMLTNESA-N 0 0 608.644 3.562 1 0 KHAFRN COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5cc(OC)c(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027553177 561868663 /nfs/dbraw/zinc/86/86/63/561868663.db2.gz PMAOFOOIOIEZEQ-AREMUKBSSA-N 0 0 608.644 3.562 1 0 KHAFRN 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0 0 578.618 3.553 1 0 KHAFRN COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5cccc(OC)c5OC)CC4)cc3O2)cc1O ZINC000027554242 561868986 /nfs/dbraw/zinc/86/89/86/561868986.db2.gz YRZQWEOITKESSL-MHZLTWQESA-N 0 0 578.618 3.553 1 0 KHAFRN COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5cccc(OC)c5OC)CC4)cc3O2)cc1O ZINC000027554244 561869014 /nfs/dbraw/zinc/86/90/14/561869014.db2.gz YRZQWEOITKESSL-HHHXNRCGSA-N 0 0 578.618 3.553 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)NCc2nc3ccccc3[nH]2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000027554363 561869062 /nfs/dbraw/zinc/86/90/62/561869062.db2.gz CHROISBHYHKDQL-WIIGKZCBSA-N 0 0 573.694 3.843 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000027554365 561869066 /nfs/dbraw/zinc/86/90/66/561869066.db2.gz RVYGXULVCKOQHN-PQMCBDDVSA-N 0 0 688.866 3.956 1 0 KHAFRN CCCn1cc([C@@H]2NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]3CCCCN3C(=O)[C@H]([C@H](C)CC)NC2=O)c(=O)c2ccccc21 ZINC000027554583 561869057 /nfs/dbraw/zinc/86/90/57/561869057.db2.gz QCAGJJVUDIGMDW-NAYSKJGCSA-N 0 0 649.833 3.909 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000027555213 561869372 /nfs/dbraw/zinc/86/93/72/561869372.db2.gz FLTCZMSMDPMVLJ-YXOGWZJSSA-N 0 0 589.733 3.817 1 0 KHAFRN CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000027556122 561869609 /nfs/dbraw/zinc/86/96/09/561869609.db2.gz VCPBMESVLZDVEY-LJAQVGFWSA-N 0 0 555.656 3.861 1 0 KHAFRN O=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027557786 561869995 /nfs/dbraw/zinc/86/99/95/561869995.db2.gz WESMILAYWBYSNA-UHFFFAOYSA-N 0 0 510.188 3.947 1 0 KHAFRN CCN(CC)C(=O)COC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])Oc1ccccc1 ZINC000027558235 561870015 /nfs/dbraw/zinc/87/00/15/561870015.db2.gz YKKZHAROJOALLS-NDEPHWFRSA-N 0 0 595.633 3.994 1 0 KHAFRN COc1cc(C(=O)C(=O)N2CCCC[C@@H]2C(=O)OCCCc2c[nH]c3ccccc23)cc(OC)c1OC ZINC000027558820 561870074 /nfs/dbraw/zinc/87/00/74/561870074.db2.gz CPCXGKRCCAXEIW-JOCHJYFZSA-N 0 0 508.571 3.934 1 0 KHAFRN COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OCCCc2c[nH]c3ccccc23)cc(OC)c1OC ZINC000027558822 561870075 /nfs/dbraw/zinc/87/00/75/561870075.db2.gz CPCXGKRCCAXEIW-QFIPXVFZSA-N 0 0 508.571 3.934 1 0 KHAFRN COc1ccc(C(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccc(OC)cc2)c2cccc(C(=O)NC(C)C)c2)cc1 ZINC000027558928 561870104 /nfs/dbraw/zinc/87/01/04/561870104.db2.gz VGCLTROWFXBPDW-UTRRVQLRSA-N 0 0 689.720 3.854 1 0 KHAFRN COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000027559035 561870076 /nfs/dbraw/zinc/87/00/76/561870076.db2.gz NWSGIROGLYHFFP-QFIPXVFZSA-N 0 0 513.587 3.851 1 0 KHAFRN COc1ccc(CCCCOC(=O)[C@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000027559037 561870099 /nfs/dbraw/zinc/87/00/99/561870099.db2.gz NWSGIROGLYHFFP-JOCHJYFZSA-N 0 0 513.587 3.851 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027559710 561870444 /nfs/dbraw/zinc/87/04/44/561870444.db2.gz ZDYXVGHQTJOFIF-HILCBEGXSA-N 0 0 666.238 3.659 1 0 KHAFRN CC(C)NC(=O)c1ccc(C(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccccc2)cc1 ZINC000027559878 561870489 /nfs/dbraw/zinc/87/04/89/561870489.db2.gz CFEMWOSOVJVPIL-DHDFKREGSA-N 0 0 629.668 3.837 1 0 KHAFRN COc1ccc(C(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccc(OC)cc2)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000027560059 561870513 /nfs/dbraw/zinc/87/05/13/561870513.db2.gz BESCGXBXLVLGIS-UTRRVQLRSA-N 0 0 689.720 3.854 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2cccc(F)c2C[C@H]1O ZINC000027561903 561870919 /nfs/dbraw/zinc/87/09/19/561870919.db2.gz GQDJPSWQTCKMEM-GUKBDPGMSA-N 0 0 637.841 3.734 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561906 561870911 /nfs/dbraw/zinc/87/09/11/561870911.db2.gz BLPNSHAUZOUQOW-PXQQMZJSSA-N 0 0 619.851 3.595 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561972 561870878 /nfs/dbraw/zinc/87/08/78/561870878.db2.gz AXTIAEHLYSXLLZ-WZXFIOQESA-N 0 0 653.824 3.613 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc32)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561974 561870889 /nfs/dbraw/zinc/87/08/89/561870889.db2.gz AUWNLGCUIINJDZ-NGKSUJSQSA-N 0 0 653.824 3.613 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027564137 561871638 /nfs/dbraw/zinc/87/16/38/561871638.db2.gz FOSMLMWGKOFPIO-GUKBDPGMSA-N 0 0 648.248 3.520 1 0 KHAFRN CCOC(=O)c1c(CS(=O)(=O)c2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027564247 561871813 /nfs/dbraw/zinc/87/18/13/561871813.db2.gz ZVNHRKHUSQDLFY-UHFFFAOYSA-N 0 0 555.609 3.820 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(CCCC(F)(F)F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027564319 561871854 /nfs/dbraw/zinc/87/18/54/561871854.db2.gz JEVLPPLIQZOIOE-IFYPTFCOSA-N 0 0 632.768 3.614 1 0 KHAFRN CCc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027620039 561872409 /nfs/dbraw/zinc/87/24/09/561872409.db2.gz TUBXPDQBBUKDHE-CQSZACIVSA-N 0 0 553.134 3.911 1 0 KHAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(CCCCO)c2)c(I)c1)C(=O)[O-] ZINC000027621290 561872584 /nfs/dbraw/zinc/87/25/84/561872584.db2.gz CBDOKGJYLTUDDE-INIZCTEOSA-N 0 0 597.187 3.663 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(CCCCO)c2)c(I)c1)C(=O)[O-] ZINC000027621296 561872578 /nfs/dbraw/zinc/87/25/78/561872578.db2.gz CBDOKGJYLTUDDE-MRXNPFEDSA-N 0 0 597.187 3.663 1 0 KHAFRN O=C1CC[C@](CCN2CC(N3CCS(=O)(=O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027622320 561872655 /nfs/dbraw/zinc/87/26/55/561872655.db2.gz HIJZDNMAHNZBTQ-HHHXNRCGSA-N 0 0 550.552 3.859 1 0 KHAFRN O=C1CC[C@@](CCN2CC(N3CCS(=O)(=O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027622325 561872620 /nfs/dbraw/zinc/87/26/20/561872620.db2.gz HIJZDNMAHNZBTQ-MHZLTWQESA-N 0 0 550.552 3.859 1 0 KHAFRN CC(C)SC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027622641 561872652 /nfs/dbraw/zinc/87/26/52/561872652.db2.gz MDMFKJWVPPVHPT-PZYJALBSSA-N 0 0 557.757 3.857 1 0 KHAFRN COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)OC ZINC000027623337 561872802 /nfs/dbraw/zinc/87/28/02/561872802.db2.gz FXFRHJXUUMKFPI-DZUOILHNSA-N 0 0 661.781 3.903 1 0 KHAFRN C=Cc1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027623393 561872857 /nfs/dbraw/zinc/87/28/57/561872857.db2.gz LPRLUAQILJSZDZ-AWEZNQCLSA-N 0 0 551.118 3.991 1 0 KHAFRN C=Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027623399 561872849 /nfs/dbraw/zinc/87/28/49/561872849.db2.gz LPRLUAQILJSZDZ-CQSZACIVSA-N 0 0 551.118 3.991 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C ZINC000027623401 561872812 /nfs/dbraw/zinc/87/28/12/561872812.db2.gz HOMIXIGBHXBJNJ-CQJMVLFOSA-N 0 0 589.803 3.606 1 0 KHAFRN CCC(=O)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027623507 561872784 /nfs/dbraw/zinc/87/27/84/561872784.db2.gz RQAYTQLJVVSLLH-CQSZACIVSA-N 0 0 581.144 3.941 1 0 KHAFRN CCC(=O)c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027623513 561872840 /nfs/dbraw/zinc/87/28/40/561872840.db2.gz RQAYTQLJVVSLLH-AWEZNQCLSA-N 0 0 581.144 3.941 1 0 KHAFRN O=C1N(Cc2ccc(CO)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@H](COc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000027623886 561872914 /nfs/dbraw/zinc/87/29/14/561872914.db2.gz AHMPQPOFMWFJEZ-HWFRFQLBSA-N 0 0 598.696 3.726 1 0 KHAFRN O=C1N(Cc2ccc(CO)cc2)[C@@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@H](COc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000027623891 561872948 /nfs/dbraw/zinc/87/29/48/561872948.db2.gz AHMPQPOFMWFJEZ-CUPIEXAXSA-N 0 0 598.696 3.726 1 0 KHAFRN CC(=O)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027624577 561872944 /nfs/dbraw/zinc/87/29/44/561872944.db2.gz SQPUZZAEFDULPR-CQSZACIVSA-N 0 0 567.117 3.551 1 0 KHAFRN Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027624624 561872893 /nfs/dbraw/zinc/87/28/93/561872893.db2.gz HYJPABWHKVJCIP-CYBMUJFWSA-N 0 0 539.107 3.657 1 0 KHAFRN CC(C)SC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027626554 561873208 /nfs/dbraw/zinc/87/32/08/561873208.db2.gz NARACRGITAVYAY-DZUOILHNSA-N 0 0 623.820 3.803 1 0 KHAFRN COP(=O)(C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000027627368 561873436 /nfs/dbraw/zinc/87/34/36/561873436.db2.gz DOVBDVGFLOFMTQ-LAJGZZDBSA-N 0 0 663.753 3.875 1 0 KHAFRN CC(C)S(=O)(=O)N1CCN(c2nc(NCCc3ccc(O)cc3)nc(N(C)CCCc3ccc(Cl)cc3)n2)CC1 ZINC000027627902 561873419 /nfs/dbraw/zinc/87/34/19/561873419.db2.gz CFVFVUZJSMVOEC-UHFFFAOYSA-N 0 0 588.178 3.814 1 0 KHAFRN IC(I)=C(I)Cn1nnc(-c2ccccc2)n1 ZINC000027629854 561873640 /nfs/dbraw/zinc/87/36/40/561873640.db2.gz QQNUCMKNUXKCPW-UHFFFAOYSA-N 0 0 563.906 3.814 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2nccc(=O)[nH]2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027630821 561873677 /nfs/dbraw/zinc/87/36/77/561873677.db2.gz LZWNFYMPEWQZBD-YFJJEWJYSA-N 0 0 537.400 3.997 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2nccc(=O)[nH]2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027630827 561873805 /nfs/dbraw/zinc/87/38/05/561873805.db2.gz LZWNFYMPEWQZBD-VKQKAZQBSA-N 0 0 537.400 3.997 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2n[nH]c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027630833 561873781 /nfs/dbraw/zinc/87/37/81/561873781.db2.gz KCUWZMDTYSUQQL-TXCMAPRMSA-N 0 0 525.393 3.614 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2n[nH]c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027630839 561873820 /nfs/dbraw/zinc/87/38/20/561873820.db2.gz KCUWZMDTYSUQQL-HNOLQLOCSA-N 0 0 525.393 3.614 1 0 KHAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC000027635136 561874308 /nfs/dbraw/zinc/87/43/08/561874308.db2.gz NIZYIFRLPAIPRM-UHFFFAOYSA-N 0 0 595.148 3.528 1 0 KHAFRN CCOC(=O)C1=C(C)NC(COCCNc2n[nH]c(N)n2)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027636301 561874444 /nfs/dbraw/zinc/87/44/44/561874444.db2.gz OLUFDPLOURLAAU-MURKYSCBSA-N 0 0 525.393 3.614 1 0 KHAFRN CCOC(=O)C1=C(C)NC(COCCNc2n[nH]c(N)n2)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027636307 561874371 /nfs/dbraw/zinc/87/43/71/561874371.db2.gz OLUFDPLOURLAAU-WLVMFVESSA-N 0 0 525.393 3.614 1 0 KHAFRN COc1cc(C(=O)N2CCN(CCn3c(=O)c4ccccc4nc3-c3ccc(N(C)C)cc3)CC2)cc(OC)c1OC ZINC000027636746 561874626 /nfs/dbraw/zinc/87/46/26/561874626.db2.gz VYGKCLUENLMXGE-UHFFFAOYSA-N 0 0 571.678 3.613 1 0 KHAFRN C[C@H](NC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000027637831 561874865 /nfs/dbraw/zinc/87/48/65/561874865.db2.gz NOHTVIFXAQFNJV-SBZVUBOMSA-N 0 0 660.783 3.854 1 0 KHAFRN C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000027637844 561874839 /nfs/dbraw/zinc/87/48/39/561874839.db2.gz NOHTVIFXAQFNJV-BOSRLCDASA-N 0 0 660.783 3.854 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2ccnc(=O)[nH]2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027638481 561874807 /nfs/dbraw/zinc/87/48/07/561874807.db2.gz SOEUSPAJKFEXET-YFJJEWJYSA-N 0 0 537.400 3.997 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2ccnc(=O)[nH]2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027638487 561874824 /nfs/dbraw/zinc/87/48/24/561874824.db2.gz SOEUSPAJKFEXET-VKQKAZQBSA-N 0 0 537.400 3.997 1 0 KHAFRN CCOC(=O)C1=C(COCCNC2=NC(=O)C(C)(C)N2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027638693 561874979 /nfs/dbraw/zinc/87/49/79/561874979.db2.gz HYUNCTPYIADDEL-LOFJQREMSA-N 0 0 553.443 3.655 1 0 KHAFRN CCOC(=O)C1=C(COCCNC2=NC(=O)C(C)(C)N2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027638700 561874939 /nfs/dbraw/zinc/87/49/39/561874939.db2.gz HYUNCTPYIADDEL-QTTZHIOCSA-N 0 0 553.443 3.655 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2cc(=O)[nH]cn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027639833 561875200 /nfs/dbraw/zinc/87/52/00/561875200.db2.gz GJYMTFTVEYLJKX-WBCOUHNMSA-N 0 0 537.400 3.997 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2cc(=O)[nH]cn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027639839 561875175 /nfs/dbraw/zinc/87/51/75/561875175.db2.gz GJYMTFTVEYLJKX-LWGCSBEDSA-N 0 0 537.400 3.997 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Oc1ccccc1 ZINC000027640774 561875262 /nfs/dbraw/zinc/87/52/62/561875262.db2.gz QMBKXRGGBARUHE-NSVAZKTRSA-N 0 0 610.752 3.516 1 0 KHAFRN IC(I)=C(I)Cn1nnnc1Cc1ccccc1 ZINC000027641541 561875433 /nfs/dbraw/zinc/87/54/33/561875433.db2.gz XUHDMCYFQRULPL-UHFFFAOYSA-N 0 0 577.933 3.738 1 0 KHAFRN Fc1ccc(-c2nnn(CC(I)=C(I)I)n2)cc1 ZINC000027641759 561875474 /nfs/dbraw/zinc/87/54/74/561875474.db2.gz KJGNQJRMMBMZMK-UHFFFAOYSA-N 0 0 581.896 3.953 1 0 KHAFRN CCOC(=O)C1=C(COCCNC(N)=S)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027642554 561875484 /nfs/dbraw/zinc/87/54/84/561875484.db2.gz UWTPIRPNDBYAQI-TXCMAPRMSA-N 0 0 502.420 3.635 1 0 KHAFRN CCOC(=O)C1=C(COCCNC(N)=S)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027642560 561875483 /nfs/dbraw/zinc/87/54/83/561875483.db2.gz UWTPIRPNDBYAQI-HNOLQLOCSA-N 0 0 502.420 3.635 1 0 KHAFRN COc1ccc(-c2nnn(CC(I)=C(I)I)n2)cc1 ZINC000027642761 561875518 /nfs/dbraw/zinc/87/55/18/561875518.db2.gz KNKVLYURVKIPHT-UHFFFAOYSA-N 0 0 593.932 3.823 1 0 KHAFRN COc1ccc(-c2nnnn2CC(I)=C(I)I)cc1 ZINC000027644946 561875673 /nfs/dbraw/zinc/87/56/73/561875673.db2.gz WMGSLZPDXXICQJ-UHFFFAOYSA-N 0 0 593.932 3.823 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)N1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000027645055 561875680 /nfs/dbraw/zinc/87/56/80/561875680.db2.gz XFGIAKJPXFCUCG-SDHOMARFSA-N 0 0 522.598 3.645 1 0 KHAFRN CCOC(=O)[C@H]1[C@@H](C(=O)OCC)N1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000027645061 561875667 /nfs/dbraw/zinc/87/56/67/561875667.db2.gz XFGIAKJPXFCUCG-UXMBLJCZSA-N 0 0 522.598 3.645 1 0 KHAFRN CCOC(=O)[C@H]1[C@H](C(=O)OCC)N1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000027645070 561875655 /nfs/dbraw/zinc/87/56/55/561875655.db2.gz XFGIAKJPXFCUCG-ISJGIBHGSA-N 0 0 522.598 3.645 1 0 KHAFRN CC(C)C[C@]1(C)N[C@H]2N(c3ccccc3[C@@]2(O)C[C@@H]2NC(=O)c3ccccc3-n3c(=O)c4ccccc4nc32)C1=O ZINC000027645499 561875795 /nfs/dbraw/zinc/87/57/95/561875795.db2.gz LBTHQRPRHJDQRG-AUCRLNOXSA-N 0 0 549.631 3.529 1 0 KHAFRN CCCCCc1nnn(CC(I)=C(I)I)n1 ZINC000027646074 561875764 /nfs/dbraw/zinc/87/57/64/561875764.db2.gz QQVHKHXMIQKLRX-UHFFFAOYSA-N 0 0 557.943 3.880 1 0 KHAFRN CCOC(=O)C1=C(COCCNC(=O)c2cccnc2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000027646440 561875880 /nfs/dbraw/zinc/87/58/80/561875880.db2.gz VDUCKESWPNSQLF-WWCBRRATSA-N 0 0 513.978 3.973 1 0 KHAFRN CCOC(=O)C1=C(COCCNC(=O)c2cccnc2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000027646448 561875889 /nfs/dbraw/zinc/87/58/89/561875889.db2.gz VDUCKESWPNSQLF-NJGKLKBPSA-N 0 0 513.978 3.973 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2n[nH]c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(C(F)(F)F)c1Cl ZINC000027647349 561875878 /nfs/dbraw/zinc/87/58/78/561875878.db2.gz FKIQZDQNDNZSEM-TXCMAPRMSA-N 0 0 558.945 3.979 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2n[nH]c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(C(F)(F)F)c1Cl ZINC000027647354 561876060 /nfs/dbraw/zinc/87/60/60/561876060.db2.gz FKIQZDQNDNZSEM-HNOLQLOCSA-N 0 0 558.945 3.979 1 0 KHAFRN Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2[nH]cc[nH+]2)c1)C(=O)[O-] ZINC000027649596 561876409 /nfs/dbraw/zinc/87/64/09/561876409.db2.gz UICIXEUWXCRGCE-SANMLTNESA-N 0 0 615.716 3.707 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2noc(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027649710 561876405 /nfs/dbraw/zinc/87/64/05/561876405.db2.gz BIAQZFDHQSPVOR-TXCMAPRMSA-N 0 0 526.377 3.879 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2noc(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027649715 561876424 /nfs/dbraw/zinc/87/64/24/561876424.db2.gz BIAQZFDHQSPVOR-HNOLQLOCSA-N 0 0 526.377 3.879 1 0 KHAFRN Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNS(C)(=O)=O)c3Cl)cccn2c1Br ZINC000027649937 561876440 /nfs/dbraw/zinc/87/64/40/561876440.db2.gz SKEQPPYBNNXYSO-UHFFFAOYSA-N 0 0 550.262 3.803 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O ZINC000027650538 561876501 /nfs/dbraw/zinc/87/65/01/561876501.db2.gz ZGVUOBCKGRJVSM-FCTANEFASA-N 0 0 712.954 3.988 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC(C)(C)[C@@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(=O)c1ccccc1 ZINC000027650981 561876560 /nfs/dbraw/zinc/87/65/60/561876560.db2.gz PNZVRNRYBVTQAP-FPOBHVNESA-N 0 0 652.693 3.573 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027651081 561876512 /nfs/dbraw/zinc/87/65/12/561876512.db2.gz NYWRDVHTFJNLSN-DNWBLSFBSA-N 0 0 706.837 3.530 1 0 KHAFRN CCOC(=O)[C@H]1[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027651094 561876514 /nfs/dbraw/zinc/87/65/14/561876514.db2.gz NYWRDVHTFJNLSN-SGHXACEYSA-N 0 0 706.837 3.530 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027651674 561876665 /nfs/dbraw/zinc/87/66/65/561876665.db2.gz ZDAVRRBEGAWJCW-WJQYYCJMSA-N 0 0 609.720 3.539 1 0 KHAFRN CCOC(=O)[C@H]1[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027651686 561876729 /nfs/dbraw/zinc/87/67/29/561876729.db2.gz ZDAVRRBEGAWJCW-KCWRJSFESA-N 0 0 609.720 3.539 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2nc(N)n(C)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027652415 561876821 /nfs/dbraw/zinc/87/68/21/561876821.db2.gz ABEDRVVWQLUVQJ-SPGGGKMGSA-N 0 0 539.420 3.624 1 0 KHAFRN CCOC(=O)C1=C(COCCNc2nc(N)n(C)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027652419 561876817 /nfs/dbraw/zinc/87/68/17/561876817.db2.gz ABEDRVVWQLUVQJ-STIUTOJCSA-N 0 0 539.420 3.624 1 0 KHAFRN CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@](C)(O)[C@@]13OC2(C)C ZINC000027652704 561876808 /nfs/dbraw/zinc/87/68/08/561876808.db2.gz ULHAEQMYHVOPAQ-QKFRLBDFSA-N 0 0 584.618 3.623 1 0 KHAFRN CCCCCc1nnnn1CC(I)=C(I)I ZINC000027652808 561876816 /nfs/dbraw/zinc/87/68/16/561876816.db2.gz QPXGLXBUNPUNRO-UHFFFAOYSA-N 0 0 557.943 3.880 1 0 KHAFRN CNc1nc(Cl)nc2c1ncn2CC(COC(=O)Cc1ccccc1)COC(=O)Cc1ccccc1 ZINC000027653099 561876904 /nfs/dbraw/zinc/87/69/04/561876904.db2.gz IOEXCINFMJPOKJ-UHFFFAOYSA-N 0 0 507.978 3.709 1 0 KHAFRN CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(C)=O ZINC000027654688 561877265 /nfs/dbraw/zinc/87/72/65/561877265.db2.gz JOIOEIGILSPPFJ-AQZFQLLWSA-N 0 0 632.846 3.972 1 0 KHAFRN CCC[C@@H](C)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C ZINC000027655006 561877270 /nfs/dbraw/zinc/87/72/70/561877270.db2.gz TWJYZXIMSQZGHG-LTTXHLQTSA-N 0 0 550.645 3.971 1 0 KHAFRN CCC[C@H](C)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C ZINC000027655009 561877316 /nfs/dbraw/zinc/87/73/16/561877316.db2.gz TWJYZXIMSQZGHG-FHDNCKLBSA-N 0 0 550.645 3.971 1 0 KHAFRN CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000027655042 561877320 /nfs/dbraw/zinc/87/73/20/561877320.db2.gz JBUYOXQZPWCCTC-QQXMVRFWSA-N 0 0 516.543 3.674 1 0 KHAFRN COc1cc2c(cc1OC)CN(CCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)C)cc1)CC2 ZINC000027656105 561877583 /nfs/dbraw/zinc/87/75/83/561877583.db2.gz HXDKNCXTAFTXBT-UHFFFAOYSA-N 0 0 502.615 3.810 1 0 KHAFRN COc1ccc(C(=O)O[C@@H]2[C@H]3C[C@H](OC(=O)c4ccco4)[C@]4(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]24OC3(C)C)cc1 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/nfs/dbraw/zinc/89/24/87/561892487.db2.gz LZLAWIZBRZSTHY-HSZRJFAPSA-N 0 0 553.531 3.503 1 0 KHAFRN CCOC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000027988652 561892613 /nfs/dbraw/zinc/89/26/13/561892613.db2.gz FRNGMWCGHSNROT-UHFFFAOYSA-N 0 0 516.616 3.712 1 0 KHAFRN O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@]1(S(=O)(=O)c2ccccc2)CCC[NH2+]C1 ZINC000027989502 561892766 /nfs/dbraw/zinc/89/27/66/561892766.db2.gz YECQPPDRORMNRX-NEKDWFFYSA-N 0 0 604.512 3.954 1 0 KHAFRN O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@]1(S(=O)(=O)c2ccccc2)CCC[NH2+]C1 ZINC000027989507 561892784 /nfs/dbraw/zinc/89/27/84/561892784.db2.gz YECQPPDRORMNRX-FIPFOOKPSA-N 0 0 604.512 3.954 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC000027992280 561893213 /nfs/dbraw/zinc/89/32/13/561893213.db2.gz NKQUZOWPOCJXRE-VCTRFXNDSA-N 0 0 589.737 3.704 1 0 KHAFRN CCNC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027992604 561893341 /nfs/dbraw/zinc/89/33/41/561893341.db2.gz HJTHHRRMQVGWEY-HHHXNRCGSA-N 0 0 510.082 3.899 1 0 KHAFRN CCNC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027992610 561893294 /nfs/dbraw/zinc/89/32/94/561893294.db2.gz HJTHHRRMQVGWEY-MHZLTWQESA-N 0 0 510.082 3.899 1 0 KHAFRN Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c1)c1cccc(Cl)c21 ZINC000027994622 561893630 /nfs/dbraw/zinc/89/36/30/561893630.db2.gz LPQLWKOVVHKNBB-UHFFFAOYSA-N 0 0 522.970 3.922 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3cccc(Br)c3)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027994805 561893594 /nfs/dbraw/zinc/89/35/94/561893594.db2.gz CYRASILRFNUMJX-MUAVYFROSA-N 0 0 631.545 3.841 1 0 KHAFRN Cc1cc(OCc2ccc(C(=O)[O-])cc2)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000027996857 561893871 /nfs/dbraw/zinc/89/38/71/561893871.db2.gz GNBFANJNSYSQLQ-DFHRPNOPSA-N 0 0 531.653 3.704 1 0 KHAFRN Cc1cc(OCc2ccc(C(=O)[O-])cc2)cc(C)c1C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000027996862 561893931 /nfs/dbraw/zinc/89/39/31/561893931.db2.gz GNBFANJNSYSQLQ-SKCUWOTOSA-N 0 0 531.653 3.704 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccc(Br)cc3)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027998376 561894156 /nfs/dbraw/zinc/89/41/56/561894156.db2.gz HGEHCBNZQHVLJS-MUAVYFROSA-N 0 0 631.545 3.841 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccc(Br)cc3)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027998382 561894136 /nfs/dbraw/zinc/89/41/36/561894136.db2.gz HGEHCBNZQHVLJS-IADCTJSHSA-N 0 0 631.545 3.841 1 0 KHAFRN CC[C@@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C ZINC000027999602 561894426 /nfs/dbraw/zinc/89/44/26/561894426.db2.gz SBLDAZIMWDKEMA-KLLDHOPQSA-N 0 0 666.864 3.646 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CC(=O)N[C@H](Cc2ccccc2)C1 ZINC000027999974 561894530 /nfs/dbraw/zinc/89/45/30/561894530.db2.gz NKQUZOWPOCJXRE-KGPYPHOUSA-N 0 0 589.737 3.704 1 0 KHAFRN CCOC(=O)CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028000038 561894525 /nfs/dbraw/zinc/89/45/25/561894525.db2.gz CHUZLEXYSBWIHZ-UIOOFZCWSA-N 0 0 553.700 3.757 1 0 KHAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000028000782 561894713 /nfs/dbraw/zinc/89/47/13/561894713.db2.gz TYHMRABMDQBPNX-GSDHBNRESA-N 0 0 628.717 3.775 1 0 KHAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000028000788 561894727 /nfs/dbraw/zinc/89/47/27/561894727.db2.gz TYHMRABMDQBPNX-ZNZIZOMTSA-N 0 0 628.717 3.775 1 0 KHAFRN CC[C@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C ZINC000028001958 561894815 /nfs/dbraw/zinc/89/48/15/561894815.db2.gz SBLDAZIMWDKEMA-HPMAGDRPSA-N 0 0 666.864 3.646 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC000028001966 561894778 /nfs/dbraw/zinc/89/47/78/561894778.db2.gz NKQUZOWPOCJXRE-WIRXVTQYSA-N 0 0 589.737 3.704 1 0 KHAFRN CN1C(=O)[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1(C)C ZINC000028002047 561894831 /nfs/dbraw/zinc/89/48/31/561894831.db2.gz RPMSJAUJPZIRMH-IIZANFQQSA-N 0 0 666.864 3.646 1 0 KHAFRN O=C([O-])[C@H](CNC(=O)c1cc2sc(CCC3CC[NH2+]CC3)cc2s1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000028002074 561894849 /nfs/dbraw/zinc/89/48/49/561894849.db2.gz WQHILDJEFAHDQF-SFHVURJKSA-N 0 0 556.131 3.710 1 0 KHAFRN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N1CCOCC1 ZINC000028002846 561895012 /nfs/dbraw/zinc/89/50/12/561895012.db2.gz BZNQQPUBAAHLPN-UIOOFZCWSA-N 0 0 523.674 3.595 1 0 KHAFRN O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028003110 561895052 /nfs/dbraw/zinc/89/50/52/561895052.db2.gz OXRPHVZDZIHKNJ-RUZDIDTESA-N 0 0 527.850 3.706 1 0 KHAFRN O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028003115 561895104 /nfs/dbraw/zinc/89/51/04/561895104.db2.gz OXRPHVZDZIHKNJ-VWLOTQADSA-N 0 0 527.850 3.706 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3N3CCCC3)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000028003563 561895095 /nfs/dbraw/zinc/89/50/95/561895095.db2.gz FAQBNGGMUXLXSQ-OGVWKLGRSA-N 0 0 621.756 3.679 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3N3CCCC3)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000028003568 561895016 /nfs/dbraw/zinc/89/50/16/561895016.db2.gz FAQBNGGMUXLXSQ-JQJBXXCASA-N 0 0 621.756 3.679 1 0 KHAFRN CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 ZINC000028004809 561895359 /nfs/dbraw/zinc/89/53/59/561895359.db2.gz HARVPZILEROGQA-UHFFFAOYSA-N 0 0 536.716 3.575 1 0 KHAFRN CNC(=S)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028005171 561895340 /nfs/dbraw/zinc/89/53/40/561895340.db2.gz DWNMYUCZZQVJBE-AREMUKBSSA-N 0 0 512.123 3.674 1 0 KHAFRN CNC(=S)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028005174 561895355 /nfs/dbraw/zinc/89/53/55/561895355.db2.gz DWNMYUCZZQVJBE-SANMLTNESA-N 0 0 512.123 3.674 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3Br)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000028005519 561895362 /nfs/dbraw/zinc/89/53/62/561895362.db2.gz HXCSQLRXMBOJCE-PZGXJGMVSA-N 0 0 631.545 3.841 1 0 KHAFRN COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3Br)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000028005523 561895325 /nfs/dbraw/zinc/89/53/25/561895325.db2.gz HXCSQLRXMBOJCE-ZTOMLWHTSA-N 0 0 631.545 3.841 1 0 KHAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCc1ccccc1 ZINC000028005602 561895505 /nfs/dbraw/zinc/89/55/05/561895505.db2.gz LWXWUIXAWYQYBW-QKDODKLFSA-N 0 0 642.744 3.818 1 0 KHAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCc1ccccc1 ZINC000028005607 561895506 /nfs/dbraw/zinc/89/55/06/561895506.db2.gz LWXWUIXAWYQYBW-PVHODMMVSA-N 0 0 642.744 3.818 1 0 KHAFRN CC(C)[C@@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 ZINC000028008530 561895949 /nfs/dbraw/zinc/89/59/49/561895949.db2.gz WTPLLVRRXBVMAI-KLUNGUGNSA-N 0 0 522.686 3.524 1 0 KHAFRN CC(C)[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 ZINC000028008534 561895973 /nfs/dbraw/zinc/89/59/73/561895973.db2.gz WTPLLVRRXBVMAI-YSWGYOQLSA-N 0 0 522.686 3.524 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ncccc1OCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000028008899 561896096 /nfs/dbraw/zinc/89/60/96/561896096.db2.gz RCCMQEZQRSVPHX-DFVVZNHFSA-N 0 0 752.954 3.910 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ncccc1OCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000028008904 561896105 /nfs/dbraw/zinc/89/61/05/561896105.db2.gz RCCMQEZQRSVPHX-CUXXNHCOSA-N 0 0 752.954 3.910 1 0 KHAFRN COC(=O)c1cccc2c1c(S(=O)(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C ZINC000028010725 561896259 /nfs/dbraw/zinc/89/62/59/561896259.db2.gz LYYQMIFJPLPVNE-UHFFFAOYSA-N 0 0 531.594 3.892 1 0 KHAFRN O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000028011085 561896419 /nfs/dbraw/zinc/89/64/19/561896419.db2.gz JSFVSBZHKDHCGQ-FTJBHMTQSA-N 0 0 513.594 3.506 1 0 KHAFRN O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000028011092 561896356 /nfs/dbraw/zinc/89/63/56/561896356.db2.gz JSFVSBZHKDHCGQ-UIOOFZCWSA-N 0 0 513.594 3.506 1 0 KHAFRN CN1CCCC[C@@H]([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028011226 561896405 /nfs/dbraw/zinc/89/64/05/561896405.db2.gz NFXWMRPSLAAALF-STVCLKQXSA-N 0 0 666.864 3.648 1 0 KHAFRN CN1CCCC[C@H]([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028011231 561896382 /nfs/dbraw/zinc/89/63/82/561896382.db2.gz NFXWMRPSLAAALF-MOUVJORGSA-N 0 0 666.864 3.648 1 0 KHAFRN CC(=[NH2+])N1CCC(Oc2ccc3cc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028013951 561897007 /nfs/dbraw/zinc/89/70/07/561897007.db2.gz QQDPCXQBUIPYIA-SANMLTNESA-N 0 0 598.660 3.625 1 0 KHAFRN CC(C)CCN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000028014094 561896978 /nfs/dbraw/zinc/89/69/78/561896978.db2.gz MEVMIUGROMRCPP-NBGIEHNGSA-N 0 0 528.657 3.908 1 0 KHAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCC(=O)OC[C@H]1O[C@@H](n3cnc4c3ncnc4N)[C@H](O)[C@@H]1O)[C@@H]2O ZINC000028018815 561897991 /nfs/dbraw/zinc/89/79/91/561897991.db2.gz VPRATOUVRXADAL-MPDQEEKUSA-N 0 0 649.789 3.760 1 0 KHAFRN CCCCS(=O)(=O)Nc1ccc(-c2nnc(=O)n3c(Br)c(Br)[nH]c23)cc1 ZINC000028018914 561898014 /nfs/dbraw/zinc/89/80/14/561898014.db2.gz HYPXYIIHXLUXHX-UHFFFAOYSA-N 0 0 505.192 3.564 1 0 KHAFRN COC(=O)NCCCCCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000028019645 561898143 /nfs/dbraw/zinc/89/81/43/561898143.db2.gz MYJGXUUIJCQYTH-OLNQLETPSA-N 0 0 719.854 3.808 1 0 KHAFRN CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+]CCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028021875 561898535 /nfs/dbraw/zinc/89/85/35/561898535.db2.gz BOUNVWLOOBFRKP-VMPREFPWSA-N 0 0 596.684 3.956 1 0 KHAFRN CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+]CCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028021881 561898545 /nfs/dbraw/zinc/89/85/45/561898545.db2.gz BOUNVWLOOBFRKP-URLMMPGGSA-N 0 0 596.684 3.956 1 0 KHAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028022135 561898725 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/nfs/dbraw/zinc/91/30/81/561913081.db2.gz VLUNLEWDGMQENF-XZWHSSHBSA-N 0 0 650.245 3.607 1 0 KHAFRN CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)CCC(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000028336854 561913433 /nfs/dbraw/zinc/91/34/33/561913433.db2.gz GVIFEGHGUYDRFL-UHFFFAOYSA-N 0 0 549.571 3.955 1 0 KHAFRN COc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O ZINC000028337048 561913466 /nfs/dbraw/zinc/91/34/66/561913466.db2.gz KQIHVCLXKZCFOV-ROEBLONWSA-N 0 0 664.740 3.614 1 0 KHAFRN COc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O ZINC000028337053 561913453 /nfs/dbraw/zinc/91/34/53/561913453.db2.gz KQIHVCLXKZCFOV-GFYIUHFSSA-N 0 0 664.740 3.614 1 0 KHAFRN COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCOCC4)nc3nc2NC(=O)NC(C)(C)C)c1 ZINC000028337129 561913486 /nfs/dbraw/zinc/91/34/86/561913486.db2.gz KWSRBEPOLXYHOX-UHFFFAOYSA-N 0 0 523.638 3.763 1 0 KHAFRN COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)C3CC3)cc2)cc1 ZINC000028339084 561913742 /nfs/dbraw/zinc/91/37/42/561913742.db2.gz LPVKSDHKJGYFPD-KRWDZBQOSA-N 0 0 529.636 3.957 1 0 KHAFRN O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028339360 561913876 /nfs/dbraw/zinc/91/38/76/561913876.db2.gz IXLBNNWOEPBRCN-NDEPHWFRSA-N 0 0 516.642 3.837 1 0 KHAFRN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCCN(CC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028341849 561914248 /nfs/dbraw/zinc/91/42/48/561914248.db2.gz JPQJPBHJNXUVMU-JHUVIDRYSA-N 0 0 692.905 3.684 1 0 KHAFRN COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(C)=O)cc2)cc1 ZINC000028342351 561914342 /nfs/dbraw/zinc/91/43/42/561914342.db2.gz CDSXOABQVPQZGM-INIZCTEOSA-N 0 0 503.598 3.567 1 0 KHAFRN CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1 ZINC000028345439 561914735 /nfs/dbraw/zinc/91/47/35/561914735.db2.gz MCQDOXKCONTBRV-DQEYMECFSA-N 0 0 505.640 3.692 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H](NC(=O)Nc2ccccc2)C(=O)Nc2ccc(Br)cn2)cc1 ZINC000028345481 561914746 /nfs/dbraw/zinc/91/47/46/561914746.db2.gz FALYTNMBZMHWNT-HSZRJFAPSA-N 0 0 637.516 3.717 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC[C@H](NC(=O)Nc2ccccc2)C(=O)Nc2ccc(Br)cn2)cc1 ZINC000028345487 561914737 /nfs/dbraw/zinc/91/47/37/561914737.db2.gz FALYTNMBZMHWNT-QHCPKHFHSA-N 0 0 637.516 3.717 1 0 KHAFRN Cc1nn(C)c(C)c1N1C(=O)c2c(c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)ccc3nc2C)C1=O ZINC000028349906 561915414 /nfs/dbraw/zinc/91/54/14/561915414.db2.gz RRSFJALKJAFQPN-FQEVSTJZSA-N 0 0 559.648 3.926 1 0 KHAFRN O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028350525 561915489 /nfs/dbraw/zinc/91/54/89/561915489.db2.gz IXLBNNWOEPBRCN-MUUNZHRXSA-N 0 0 516.642 3.837 1 0 KHAFRN CCOC(=O)C1CCN(CNCc2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1 ZINC000028351082 561915485 /nfs/dbraw/zinc/91/54/85/561915485.db2.gz OCKVTMMQTCZNJI-VSJLXWSYSA-N 0 0 701.312 3.753 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCNS(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1 ZINC000028352015 561915693 /nfs/dbraw/zinc/91/56/93/561915693.db2.gz WVNKDHFFLGDHPF-UHFFFAOYSA-N 0 0 550.083 3.577 1 0 KHAFRN CCNC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028353413 561915963 /nfs/dbraw/zinc/91/59/63/561915963.db2.gz YLGVUOADHWJUEY-UHFFFAOYSA-N 0 0 509.607 3.564 1 0 KHAFRN CC(C)NC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028353676 561916078 /nfs/dbraw/zinc/91/60/78/561916078.db2.gz MNMWYOPBAWGAFN-UHFFFAOYSA-N 0 0 523.634 3.952 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028354488 561916081 /nfs/dbraw/zinc/91/60/81/561916081.db2.gz HYSCJPQPEGNNIN-ULOHSEQHSA-N 0 0 584.802 3.978 1 0 KHAFRN COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)N(C)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1 ZINC000028357664 561916317 /nfs/dbraw/zinc/91/63/17/561916317.db2.gz WGXPYURBBLAZGC-UIOOFZCWSA-N 0 0 535.666 3.701 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)c2ccccc2)cc1 ZINC000028358252 561916483 /nfs/dbraw/zinc/91/64/83/561916483.db2.gz JTFVWHIDLLRZLX-HSZRJFAPSA-N 0 0 622.501 3.924 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)c2ccccc2)cc1 ZINC000028358255 561916481 /nfs/dbraw/zinc/91/64/81/561916481.db2.gz JTFVWHIDLLRZLX-QHCPKHFHSA-N 0 0 622.501 3.924 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)SC)C(C)(C)c1ccc(OC)cc1 ZINC000028360909 561916924 /nfs/dbraw/zinc/91/69/24/561916924.db2.gz NQVAZURCCRHAPU-AEVAFVADSA-N 0 0 535.751 3.701 1 0 KHAFRN CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(NCC(c4ccccc4)c4ccccc4)c(C(=O)N4CCOCC4)c3)CC2)CC1 ZINC000028362379 561917006 /nfs/dbraw/zinc/91/70/06/561917006.db2.gz VODUCDWVPSEMSZ-UHFFFAOYSA-N 0 0 659.853 3.578 1 0 in-vivo KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028362581 561917048 /nfs/dbraw/zinc/91/70/48/561917048.db2.gz IGUHUXXTFRJJNP-SLGBHXFTSA-N 0 0 570.775 3.588 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1 ZINC000028362640 561917008 /nfs/dbraw/zinc/91/70/08/561917008.db2.gz ASTKCHMENLBTSZ-VGOPEUBISA-N 0 0 584.802 3.896 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000028364684 561917278 /nfs/dbraw/zinc/91/72/78/561917278.db2.gz NSLAEVNOJPXVRP-UHFFFAOYSA-N 0 0 502.390 3.522 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028365483 561917596 /nfs/dbraw/zinc/91/75/96/561917596.db2.gz IGUHUXXTFRJJNP-PDFBYWLWSA-N 0 0 570.775 3.588 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCNS(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC000028367888 561917852 /nfs/dbraw/zinc/91/78/52/561917852.db2.gz GENFZRVCSZSVKY-UHFFFAOYSA-N 0 0 588.505 3.625 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCCC2)cc1 ZINC000028369407 561918053 /nfs/dbraw/zinc/91/80/53/561918053.db2.gz GBBGHNXXXPNREA-QHCPKHFHSA-N 0 0 628.549 3.688 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCCC2)cc1 ZINC000028369414 561918059 /nfs/dbraw/zinc/91/80/59/561918059.db2.gz GBBGHNXXXPNREA-HSZRJFAPSA-N 0 0 628.549 3.688 1 0 KHAFRN CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 ZINC000028370250 561918208 /nfs/dbraw/zinc/91/82/08/561918208.db2.gz CXICXQLYBBFUNX-MUUNZHRXSA-N 0 0 512.647 3.769 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(O)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028370303 561918178 /nfs/dbraw/zinc/91/81/78/561918178.db2.gz CFQMUIKAPZTTKQ-IBGZPJMESA-N 0 0 576.629 3.942 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(O)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028370309 561918160 /nfs/dbraw/zinc/91/81/60/561918160.db2.gz CFQMUIKAPZTTKQ-LJQANCHMSA-N 0 0 576.629 3.942 1 0 KHAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cnccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028370349 561918142 /nfs/dbraw/zinc/91/81/42/561918142.db2.gz GJWKFGIHQDNREM-IBGZPJMESA-N 0 0 531.592 3.622 1 0 KHAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cnccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028370356 561918233 /nfs/dbraw/zinc/91/82/33/561918233.db2.gz GJWKFGIHQDNREM-LJQANCHMSA-N 0 0 531.592 3.622 1 0 KHAFRN NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccc(OCCO)cc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028370965 561918310 /nfs/dbraw/zinc/91/83/10/561918310.db2.gz SVQUUEFIDFFTPC-SELSBJTMSA-N 0 0 705.852 3.543 1 0 KHAFRN NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccc(OCCO)cc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028370972 561918259 /nfs/dbraw/zinc/91/82/59/561918259.db2.gz SVQUUEFIDFFTPC-ZJBFTFJPSA-N 0 0 705.852 3.543 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cc(F)cc(F)c1 ZINC000028372613 561918604 /nfs/dbraw/zinc/91/86/04/561918604.db2.gz NAPDXKBIBIDULR-FXTBFKDFSA-N 0 0 509.638 3.875 1 0 KHAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(NS(C)(=O)=O)cc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028372662 561918620 /nfs/dbraw/zinc/91/86/20/561918620.db2.gz NALRXQYBBBETRP-FQEVSTJZSA-N 0 0 623.711 3.599 1 0 KHAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(NS(C)(=O)=O)cc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028372669 561918671 /nfs/dbraw/zinc/91/86/71/561918671.db2.gz NALRXQYBBBETRP-HXUWFJFHSA-N 0 0 623.711 3.599 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cn2)C(=O)Nc2ccccc2)cc1 ZINC000028377124 561919344 /nfs/dbraw/zinc/91/93/44/561919344.db2.gz QDESLFWSLVXYOU-QHCPKHFHSA-N 0 0 622.501 3.924 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)Nc2ccccc2)cc1 ZINC000028377135 561919422 /nfs/dbraw/zinc/91/94/22/561919422.db2.gz QDESLFWSLVXYOU-HSZRJFAPSA-N 0 0 622.501 3.924 1 0 KHAFRN COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2cccc(OC)c2)c1 ZINC000028378221 561919502 /nfs/dbraw/zinc/91/95/02/561919502.db2.gz SDXNEJGAUZEREY-UHFFFAOYSA-N 0 0 538.710 3.941 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)CCC(=O)Nc2ccc(Br)cn2)cc1 ZINC000028378870 561919683 /nfs/dbraw/zinc/91/96/83/561919683.db2.gz LQTXWCFYJKNNIH-UHFFFAOYSA-N 0 0 503.378 3.516 1 0 KHAFRN COc1ccc(N([C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000028379041 561919817 /nfs/dbraw/zinc/91/98/17/561919817.db2.gz XKBUCROMOZRSOL-FQEVSTJZSA-N 0 0 598.125 3.907 1 0 KHAFRN COc1ccc(N([C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000028379048 561919813 /nfs/dbraw/zinc/91/98/13/561919813.db2.gz XKBUCROMOZRSOL-HXUWFJFHSA-N 0 0 598.125 3.907 1 0 KHAFRN O=C(NCCOCCO)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028382945 561920501 /nfs/dbraw/zinc/92/05/01/561920501.db2.gz QMTWFIFOSJFJDN-XMSYEVSSSA-N 0 0 733.906 3.812 1 0 KHAFRN O=C(NCCOCCO)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028382952 561920531 /nfs/dbraw/zinc/92/05/31/561920531.db2.gz QMTWFIFOSJFJDN-NRVWYRHZSA-N 0 0 733.906 3.812 1 0 KHAFRN C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000028383717 561920677 /nfs/dbraw/zinc/92/06/77/561920677.db2.gz ATOBZBFTPJRCNY-IERDGZPVSA-N 0 0 549.696 3.623 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]([NH3+])Cc2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000028384687 561920827 /nfs/dbraw/zinc/92/08/27/561920827.db2.gz UVCVUMMPNBQIJC-GRYUFTJMSA-N 0 0 534.028 3.534 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000028384693 561920823 /nfs/dbraw/zinc/92/08/23/561920823.db2.gz UVCVUMMPNBQIJC-JHMXWDHMSA-N 0 0 534.028 3.534 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]([NH3+])Cc2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000028384698 561920777 /nfs/dbraw/zinc/92/07/77/561920777.db2.gz LWHJVPXOAZTUPE-GRYUFTJMSA-N 0 0 534.028 3.534 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000028384699 561920818 /nfs/dbraw/zinc/92/08/18/561920818.db2.gz LWHJVPXOAZTUPE-JHMXWDHMSA-N 0 0 534.028 3.534 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]([NH3+])Cc2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000028384702 561920800 /nfs/dbraw/zinc/92/08/00/561920800.db2.gz ADAJAZUUPSIOFM-GRYUFTJMSA-N 0 0 567.580 3.900 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000028384706 561920796 /nfs/dbraw/zinc/92/07/96/561920796.db2.gz ADAJAZUUPSIOFM-JHMXWDHMSA-N 0 0 567.580 3.900 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]([NH3+])Cc2cccc(OC(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028384708 561920814 /nfs/dbraw/zinc/92/08/14/561920814.db2.gz SWERESYZYBTPMG-GRYUFTJMSA-N 0 0 565.589 3.641 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2cccc(OC(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028384711 561920821 /nfs/dbraw/zinc/92/08/21/561920821.db2.gz SWERESYZYBTPMG-JHMXWDHMSA-N 0 0 565.589 3.641 1 0 KHAFRN COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN1CCOCC1 ZINC000028386385 561921079 /nfs/dbraw/zinc/92/10/79/561921079.db2.gz PCKQYQGEALHHPW-UHFFFAOYSA-N 0 0 599.692 3.885 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]([NH3+])Cc2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028386405 561921203 /nfs/dbraw/zinc/92/12/03/561921203.db2.gz UKBYVMAOGQSENV-GRYUFTJMSA-N 0 0 567.580 3.900 1 0 KHAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028386413 561921199 /nfs/dbraw/zinc/92/11/99/561921199.db2.gz UKBYVMAOGQSENV-JHMXWDHMSA-N 0 0 567.580 3.900 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)cc5)n4)CC3)ccc2s1 ZINC000028386505 561921224 /nfs/dbraw/zinc/92/12/24/561921224.db2.gz XATMJVGHPVAZPT-LJQANCHMSA-N 0 0 500.024 3.866 1 0 KHAFRN O=C(CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O)N1CCN(CCOCCO)CC1 ZINC000028386888 561921213 /nfs/dbraw/zinc/92/12/13/561921213.db2.gz CIVBTEWGCSNGJT-UHFFFAOYSA-N 0 0 586.032 3.818 1 0 KHAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ncccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028387687 561921445 /nfs/dbraw/zinc/92/14/45/561921445.db2.gz LNKNCLHWZHQBQM-IBGZPJMESA-N 0 0 531.592 3.622 1 0 KHAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ncccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028387692 561921440 /nfs/dbraw/zinc/92/14/40/561921440.db2.gz LNKNCLHWZHQBQM-LJQANCHMSA-N 0 0 531.592 3.622 1 0 KHAFRN CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 ZINC000028388862 561921837 /nfs/dbraw/zinc/92/18/37/561921837.db2.gz GPNBCIPNVXJZRI-MUUNZHRXSA-N 0 0 530.637 3.908 1 0 KHAFRN O=C(CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O)N1CCN(CCO)CC1 ZINC000028389314 561921929 /nfs/dbraw/zinc/92/19/29/561921929.db2.gz NBDUZABHGHTCOT-UHFFFAOYSA-N 0 0 541.979 3.802 1 0 KHAFRN COc1ccccc1C(O)(CCN1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1OC ZINC000028389370 561921892 /nfs/dbraw/zinc/92/18/92/561921892.db2.gz DKNOUTKSKNGZGM-UHFFFAOYSA-N 0 0 538.710 3.941 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cccc(F)c3c(=O)n2N2CCN(C)CC2)c(OC)n1 ZINC000028391205 561922271 /nfs/dbraw/zinc/92/22/71/561922271.db2.gz LPEXBWYMOSSROT-SFHVURJKSA-N 0 0 579.608 3.770 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cccc(F)c3c(=O)n2N2CCN(C)CC2)c(OC)n1 ZINC000028391211 561922267 /nfs/dbraw/zinc/92/22/67/561922267.db2.gz LPEXBWYMOSSROT-GOSISDBHSA-N 0 0 579.608 3.770 1 0 KHAFRN CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 ZINC000028391518 561922385 /nfs/dbraw/zinc/92/23/85/561922385.db2.gz CACOSGMLNQGLQJ-NDEPHWFRSA-N 0 0 512.647 3.769 1 0 KHAFRN COc1cccc([C@@](O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028392512 561922493 /nfs/dbraw/zinc/92/24/93/561922493.db2.gz GGGQOVLGMUZYKV-GDLZYMKVSA-N 0 0 508.684 3.933 1 0 KHAFRN COc1cccc([C@](O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028392518 561922564 /nfs/dbraw/zinc/92/25/64/561922564.db2.gz GGGQOVLGMUZYKV-LJAQVGFWSA-N 0 0 508.684 3.933 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(C(C)=O)c1 ZINC000028392856 561922592 /nfs/dbraw/zinc/92/25/92/561922592.db2.gz IYDSIAYNMXOHGJ-AULKDKKBSA-N 0 0 515.695 3.800 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(-c5ccc(Cl)cc5)o4)CC3)ccc2s1 ZINC000028394396 561922815 /nfs/dbraw/zinc/92/28/15/561922815.db2.gz YAFKHHYOOIBEMK-LJQANCHMSA-N 0 0 500.024 3.866 1 0 KHAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)C1=Nc2ccccc2C1 ZINC000028396397 561923143 /nfs/dbraw/zinc/92/31/43/561923143.db2.gz MLFWLGDFVIKJKN-OBSBHZRGSA-N 0 0 512.695 3.974 1 0 KHAFRN Cc1cc2c(C3=C(c4cnc5ccccn54)C(=O)NC3=O)cn3c2c(c1)CN(C(=O)N1CCCCC1)CC3 ZINC000028397410 561923321 /nfs/dbraw/zinc/92/33/21/561923321.db2.gz LQESNGDPCQOCKO-UHFFFAOYSA-N 0 0 508.582 3.586 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5cccc(Cl)c5)n4)CC3)ccc2s1 ZINC000028397809 561923414 /nfs/dbraw/zinc/92/34/14/561923414.db2.gz YCXMIYHFLJBIGG-LJQANCHMSA-N 0 0 500.024 3.866 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(-c5ccc(Cl)cc5)no4)CC3)ccc2s1 ZINC000028398334 561923411 /nfs/dbraw/zinc/92/34/11/561923411.db2.gz DUZBAUSDDBCXPG-LJQANCHMSA-N 0 0 500.024 3.866 1 0 KHAFRN CCCC[C@H](NC(=O)OCC1(COc2ccnc(N3CCN(C)CC3)n2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028455613 561923632 /nfs/dbraw/zinc/92/36/32/561923632.db2.gz CDDGYMDTJDHYOE-NOZRDPDXSA-N 0 0 580.730 3.509 1 0 KHAFRN COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CC(C)C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028457059 561924151 /nfs/dbraw/zinc/92/41/51/561924151.db2.gz YVENLASUPXUYFI-LJFIPRPSSA-N 0 0 696.886 3.897 1 0 KHAFRN C[C@H](Cc1c[nH]c2c1cccc2OCC(=O)N(C)C)[NH2+]C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000028457394 561924196 /nfs/dbraw/zinc/92/41/96/561924196.db2.gz IZAYFWKVBBNBFP-JPYJTQIMSA-N 0 0 556.710 3.751 1 0 KHAFRN O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(-n2cnnc2)cc1 ZINC000028459222 561924831 /nfs/dbraw/zinc/92/48/31/561924831.db2.gz IJVAIFAULSWKOA-XMMPIXPASA-N 0 0 585.473 3.839 1 0 KHAFRN COc1cc2nc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000028459331 561924823 /nfs/dbraw/zinc/92/48/23/561924823.db2.gz RDGBBKRHZQSWBP-UHFFFAOYSA-N 0 0 519.627 3.716 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000028459869 561924789 /nfs/dbraw/zinc/92/47/89/561924789.db2.gz DKNQJIJHKLVBSI-KYJUHHDHSA-N 0 0 566.702 3.614 1 0 KHAFRN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OC3Sc4ccccc4S3)[C@@H]2OC2Sc3ccccc3S2)c(=O)[nH]1 ZINC000028460127 561924924 /nfs/dbraw/zinc/92/49/24/561924924.db2.gz IHWWTJMVLHEJIS-FBFWQHAYSA-N 0 0 548.689 3.560 1 0 KHAFRN O=c1ccn([C@@H]2O[C@H](CO)[C@H](OC3Sc4ccccc4S3)[C@@H]2OC2Sc3ccccc3S2)c(=O)[nH]1 ZINC000028460130 561924889 /nfs/dbraw/zinc/92/48/89/561924889.db2.gz IHWWTJMVLHEJIS-PYSHFNSBSA-N 0 0 548.689 3.560 1 0 KHAFRN Nc1cc2c(=O)c(C(=O)[O-])cn(C3CC[NH+](Cc4ccccc4)CC3)c2cc1N1CCN(c2ccccn2)CC1 ZINC000028463142 561925651 /nfs/dbraw/zinc/92/56/51/561925651.db2.gz PVLFUNJTOWCOOK-UHFFFAOYSA-N 0 0 538.652 3.841 1 0 KHAFRN CCCC[C@H](NC(=O)OCC1(COc2ccnc(N3CCOCC3)n2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028463496 561925773 /nfs/dbraw/zinc/92/57/73/561925773.db2.gz HVVUYPRHGMANTP-VWNXMTODSA-N 0 0 567.687 3.594 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1 ZINC000028464475 561926078 /nfs/dbraw/zinc/92/60/78/561926078.db2.gz ZMFWEJXNCWIVOL-FPJSXKKWSA-N 0 0 694.730 3.999 1 0 KHAFRN C[C@@H](NO)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc([C@@H](C)NO)c3)S2(=O)=O)c1 ZINC000028465604 561926195 /nfs/dbraw/zinc/92/61/95/561926195.db2.gz BBEBLHGCLHTBRC-XOQWVYCKSA-N 0 0 692.835 3.946 1 0 KHAFRN C[C@@H](NO)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc([C@H](C)NO)c3)S2(=O)=O)c1 ZINC000028465608 561926180 /nfs/dbraw/zinc/92/61/80/561926180.db2.gz BBEBLHGCLHTBRC-CYFAHTMRSA-N 0 0 692.835 3.946 1 0 KHAFRN COc1cc(C=CS(=O)(=O)CS(=O)(=O)C=Cc2cc(OC)c(C(C)=O)c(C(C)=O)c2)cc(C(C)=O)c1C(C)=O ZINC000028465867 561926196 /nfs/dbraw/zinc/92/61/96/561926196.db2.gz ARPWHSPLGYJEMX-FIFLTTCUSA-N 0 0 576.645 3.943 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000028466622 561926313 /nfs/dbraw/zinc/92/63/13/561926313.db2.gz NOGDEGWDVBKKOV-QMOZSOIISA-N 0 0 574.722 3.872 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(-c2ccsc2)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000028466627 561926285 /nfs/dbraw/zinc/92/62/85/561926285.db2.gz CLMOFAGATHXTSB-YCVJPRETSA-N 0 0 580.751 3.933 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)C[C@@H](C)[C@]13OC(C)(C)[C@H](C(=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O ZINC000028468527 561926585 /nfs/dbraw/zinc/92/65/85/561926585.db2.gz UPKPCBUBBFEYEF-OVJAYBENSA-N 0 0 650.677 3.637 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(-c2ccc3c(c2)OCO3)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000028471692 561927024 /nfs/dbraw/zinc/92/70/24/561927024.db2.gz HYNVYNNQZORRBL-HPSLPFNASA-N 0 0 618.731 3.601 1 0 KHAFRN CC(=O)c1ccc(C=CS(=O)(=O)CS(=O)(=O)C=Cc2ccc(C(C)=O)c(C(C)=O)c2)cc1C(C)=O ZINC000028474209 561927491 /nfs/dbraw/zinc/92/74/91/561927491.db2.gz XAYDTICLXMOTGG-WGDLNXRISA-N 0 0 516.593 3.926 1 0 KHAFRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2O[C@@H](OCC)[C@@]1(C)O ZINC000028474805 561927777 /nfs/dbraw/zinc/92/77/77/561927777.db2.gz ZCNJJXBLADLETA-HOBZHRSSSA-N 0 0 652.778 3.984 1 0 KHAFRN CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H]([NH3+])c2ccccc2)c1=O ZINC000028475735 561927944 /nfs/dbraw/zinc/92/79/44/561927944.db2.gz WXUZGCQTOVWUDO-QHCPKHFHSA-N 0 0 528.005 3.621 1 0 KHAFRN CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)Oc1ccccc1 ZINC000028475801 561928013 /nfs/dbraw/zinc/92/80/13/561928013.db2.gz KZZAQFPEYTWXPK-JXUHLGLYSA-N 0 0 541.549 3.845 1 0 KHAFRN CCOC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)Oc1ccccc1 ZINC000028475804 561927986 /nfs/dbraw/zinc/92/79/86/561927986.db2.gz KZZAQFPEYTWXPK-XRKZHVHTSA-N 0 0 541.549 3.845 1 0 KHAFRN CCOC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)Oc1ccccc1 ZINC000028476326 561928188 /nfs/dbraw/zinc/92/81/88/561928188.db2.gz KZZAQFPEYTWXPK-OZCMBAAYSA-N 0 0 541.549 3.845 1 0 KHAFRN CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(I)n(Cc3ccccc3)c2C1=O ZINC000028478094 561928657 /nfs/dbraw/zinc/92/86/57/561928657.db2.gz GWNZHADLKOLAGC-GOSISDBHSA-N 0 0 511.367 3.799 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O ZINC000028478199 561928790 /nfs/dbraw/zinc/92/87/90/561928790.db2.gz OWVCQNKFBHGGRJ-XLIKFSOKSA-N 0 0 678.713 3.566 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)[C@@H]2CCCC/C=C\COc3c(O)cccc3C(=O)N2)cc1 ZINC000028478309 561928817 /nfs/dbraw/zinc/92/88/17/561928817.db2.gz VLCHKLWDNXNIPB-NXWGLECRSA-N 0 0 546.686 3.716 1 0 KHAFRN COC(=O)C(C)(C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)Oc1ccccc1 ZINC000028520351 561928776 /nfs/dbraw/zinc/92/87/76/561928776.db2.gz YMALEKBIOOKILD-QBXFAECDSA-N 0 0 541.549 3.845 1 0 KHAFRN COC(=O)C(C)(C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)Oc1ccccc1 ZINC000028520353 561928804 /nfs/dbraw/zinc/92/88/04/561928804.db2.gz YMALEKBIOOKILD-BAGGVQQSSA-N 0 0 541.549 3.845 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(Br)cc2)NC1=O ZINC000028520426 561928984 /nfs/dbraw/zinc/92/89/84/561928984.db2.gz WWWHERHRZIIDAQ-XLIKFSOKSA-N 0 0 678.713 3.566 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)[C@@H]2CCCCCCCOc3c(O)cccc3C(=O)N2)cc1 ZINC000028520762 561929042 /nfs/dbraw/zinc/92/90/42/561929042.db2.gz FTEGNCQZPKADDA-AHWVRZQESA-N 0 0 548.702 3.940 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(Br)cc2)NC1=O ZINC000028521555 561929248 /nfs/dbraw/zinc/92/92/48/561929248.db2.gz MNQDMZHDBJHUAX-XLIKFSOKSA-N 0 0 678.713 3.566 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(Br)cc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O ZINC000028521636 561929265 /nfs/dbraw/zinc/92/92/65/561929265.db2.gz WTXHZGYXTAYVDE-XLIKFSOKSA-N 0 0 678.713 3.566 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC1=O ZINC000028521780 561929477 /nfs/dbraw/zinc/92/94/77/561929477.db2.gz PQFHFPDGIQWGEF-XLIKFSOKSA-N 0 0 678.713 3.566 1 0 KHAFRN Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(C=O)cc3)C(C)C)C2=O)cs1 ZINC000028523347 561929996 /nfs/dbraw/zinc/92/99/96/561929996.db2.gz PPRPODQJBNQLSC-QAXCHELISA-N 0 0 683.897 3.962 1 0 KHAFRN CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(I)n(Cc3ccc(O)cc3)c2C1=O ZINC000028523885 561930626 /nfs/dbraw/zinc/93/06/26/561930626.db2.gz WDDNZKWYOKDFLX-QGZVFWFLSA-N 0 0 527.366 3.505 1 0 KHAFRN Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(CO)cc3)C(C)C)C2=O)cs1 ZINC000028523950 561930644 /nfs/dbraw/zinc/93/06/44/561930644.db2.gz FQRYWBLGQCRXMV-QAXCHELISA-N 0 0 685.913 3.641 1 0 KHAFRN O=C1O[C@@H](CNC(=S)OCC(F)(F)C(F)F)CN1c1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000028524187 561930685 /nfs/dbraw/zinc/93/06/85/561930685.db2.gz YHAJCDVGLFKVKM-LBPRGKRZSA-N 0 0 501.437 3.676 1 0 KHAFRN Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(NC=O)cc3)C(C)C)C2=O)cs1 ZINC000028524225 561930760 /nfs/dbraw/zinc/93/07/60/561930760.db2.gz 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ZINC000028524897 561931022 /nfs/dbraw/zinc/93/10/22/561931022.db2.gz VDVZBQBZEQDPRQ-YPKYBTACSA-N 0 0 670.902 3.731 1 0 KHAFRN Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3cccc(CO)c3)C(C)C)C2=O)cs1 ZINC000028525304 561931191 /nfs/dbraw/zinc/93/11/91/561931191.db2.gz GOLISNLKXLDRCV-QAXCHELISA-N 0 0 685.913 3.641 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)N(CCO)CCC3)cc1 ZINC000028525569 561931327 /nfs/dbraw/zinc/93/13/27/561931327.db2.gz QJCBDDQZSODRSU-NDEPHWFRSA-N 0 0 575.706 3.810 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCO)CCC3)cc1 ZINC000028525570 561931351 /nfs/dbraw/zinc/93/13/51/561931351.db2.gz QJCBDDQZSODRSU-MUUNZHRXSA-N 0 0 575.706 3.810 1 0 KHAFRN O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)OCc1ccccc1 ZINC000028525606 561931497 /nfs/dbraw/zinc/93/14/97/561931497.db2.gz CDNZAOVICDKJNC-GUGRYZTLSA-N 0 0 530.669 3.907 1 0 KHAFRN 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561934857 /nfs/dbraw/zinc/93/48/57/561934857.db2.gz DPMPSXPQCRVCLR-AXJMTRDLSA-N 0 0 717.827 3.681 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O ZINC000028530702 561934861 /nfs/dbraw/zinc/93/48/61/561934861.db2.gz DPMPSXPQCRVCLR-YAORSUGWSA-N 0 0 717.827 3.681 1 0 KHAFRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O ZINC000028530704 561934886 /nfs/dbraw/zinc/93/48/86/561934886.db2.gz DPMPSXPQCRVCLR-LGXXXXLNSA-N 0 0 717.827 3.681 1 0 KHAFRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)N2C1=O ZINC000028530864 561935013 /nfs/dbraw/zinc/93/50/13/561935013.db2.gz DPMPSXPQCRVCLR-AUURQCAXSA-N 0 0 717.827 3.681 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O ZINC000028530866 561934990 /nfs/dbraw/zinc/93/49/90/561934990.db2.gz DPMPSXPQCRVCLR-CYEGLCQHSA-N 0 0 717.827 3.681 1 0 KHAFRN O=C([C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1 ZINC000028564033 561935521 /nfs/dbraw/zinc/93/55/21/561935521.db2.gz DDZMPSRTWAYOEY-IMIIHFCZSA-N 0 0 709.973 3.520 1 0 KHAFRN CCCn1c2[nH]c(-c3cnn(Cc4nc(-c5ccccc5C(F)(F)F)no4)c3)nc2c(=O)n(CCC)c1=O ZINC000028564059 561935499 /nfs/dbraw/zinc/93/54/99/561935499.db2.gz VSKYJNJABJKLAI-UHFFFAOYSA-N 0 0 528.495 3.687 1 0 KHAFRN CCCn1c2[nH]c(-c3cnn(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c3)nc2c(=O)n(CCC)c1=O ZINC000028564300 561935639 /nfs/dbraw/zinc/93/56/39/561935639.db2.gz QMECXENLVJOBDP-UHFFFAOYSA-N 0 0 528.495 3.687 1 0 KHAFRN CCCn1c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)nc2c(=O)n(CCC)c1=O ZINC000028564306 561935659 /nfs/dbraw/zinc/93/56/59/561935659.db2.gz MCFKNUKIBRIAQU-UHFFFAOYSA-N 0 0 528.495 3.687 1 0 KHAFRN COc1cc(CN2C(=O)N(Cc3ccc(O)c(OC)c3)N(C(=O)CCCCN3CCOCC3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O 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561937538 /nfs/dbraw/zinc/93/75/38/561937538.db2.gz WZJMSTTUKDJWPB-UHFFFAOYSA-N 0 0 520.533 3.663 1 0 KHAFRN CN(C)C(=O)CCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569113 561937766 /nfs/dbraw/zinc/93/77/66/561937766.db2.gz WEYQMQWSOGQRDE-PDDLMNHVSA-N 0 0 654.009 3.778 1 0 KHAFRN CN(C)C(=O)CCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569114 561937739 /nfs/dbraw/zinc/93/77/39/561937739.db2.gz WEYQMQWSOGQRDE-VIZCGCQYSA-N 0 0 654.009 3.778 1 0 KHAFRN COCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569180 561937771 /nfs/dbraw/zinc/93/77/71/561937771.db2.gz WBAITUPEPUOTGJ-LEAFIULHSA-N 0 0 612.956 3.946 1 0 KHAFRN COCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569181 561937736 /nfs/dbraw/zinc/93/77/36/561937736.db2.gz WBAITUPEPUOTGJ-NAKRPHOHSA-N 0 0 612.956 3.946 1 0 KHAFRN COc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)cc1 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/nfs/dbraw/zinc/93/99/21/561939921.db2.gz ZEPJUNYIGZQROD-DUOFBPECSA-N 0 0 584.739 3.559 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(C)(C)C)C(=O)N[C@H]1CCO[C@H]1O ZINC000028572299 561939893 /nfs/dbraw/zinc/93/98/93/561939893.db2.gz ZEPJUNYIGZQROD-PEWLRQCJSA-N 0 0 584.739 3.559 1 0 KHAFRN CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)NCc2ccccc2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028572309 561939856 /nfs/dbraw/zinc/93/98/56/561939856.db2.gz DEAALBPCNSJIPH-JHMXWDHMSA-N 0 0 550.656 3.865 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)c1ccccc1)C(=O)N[C@H]1CCO[C@@H]1O ZINC000028572424 561940016 /nfs/dbraw/zinc/94/00/16/561940016.db2.gz ODVBWVUZXJFGFP-FQPFCCRUSA-N 0 0 604.729 3.886 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)c1ccccc1)C(=O)N[C@H]1CCO[C@H]1O ZINC000028572425 561940007 /nfs/dbraw/zinc/94/00/07/561940007.db2.gz ODVBWVUZXJFGFP-XOSWASQASA-N 0 0 604.729 3.886 1 0 KHAFRN CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@@H]1O ZINC000028572486 561940203 /nfs/dbraw/zinc/94/02/03/561940203.db2.gz HHNHYEDODWWQEY-GAMIOXAUSA-N 0 0 568.740 3.723 1 0 KHAFRN CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@H]1O ZINC000028572487 561940215 /nfs/dbraw/zinc/94/02/15/561940215.db2.gz HHNHYEDODWWQEY-UKHVJEJZSA-N 0 0 568.740 3.723 1 0 KHAFRN CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)NCCc2ccccc2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028572488 561940179 /nfs/dbraw/zinc/94/01/79/561940179.db2.gz GLOXJFDTZQXOJP-LJGDZFJRSA-N 0 0 564.683 3.907 1 0 KHAFRN CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)c2ccccc2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028572491 561940157 /nfs/dbraw/zinc/94/01/57/561940157.db2.gz DESIODPKNCTHKC-WNOPAQSVSA-N 0 0 521.614 3.795 1 0 KHAFRN CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1(C)C)C(=O)C(=O)Nc1cc[nH]n1 ZINC000028572658 561940318 /nfs/dbraw/zinc/94/03/18/561940318.db2.gz PTNBWGAJLBFPEI-QFBILLFUSA-N 0 0 566.537 3.690 1 0 KHAFRN CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3Cc4ccccc4C3)cc2)cc1 ZINC000028572685 561940386 /nfs/dbraw/zinc/94/03/86/561940386.db2.gz CRPMXOODLGSTAC-UHFFFAOYSA-N 0 0 500.628 3.839 1 0 KHAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCN(C)CC3)CC2)c2ccccc12 ZINC000028604049 561940628 /nfs/dbraw/zinc/94/06/28/561940628.db2.gz OHPIAISBTHGTMM-UHFFFAOYSA-N 0 0 549.697 3.511 1 0 KHAFRN COC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028634911 561940802 /nfs/dbraw/zinc/94/08/02/561940802.db2.gz KVWCNGKGFOHNMO-NHMNHLDDSA-N 0 0 612.768 3.788 1 0 KHAFRN CCCN(CCC)C(=O)NC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000028634966 561940892 /nfs/dbraw/zinc/94/08/92/561940892.db2.gz JDYDOYUOUCWEHP-HSZRJFAPSA-N 0 0 630.739 3.537 1 0 KHAFRN CCCN(CCC)C(=O)NC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000028634969 561940934 /nfs/dbraw/zinc/94/09/34/561940934.db2.gz JDYDOYUOUCWEHP-QHCPKHFHSA-N 0 0 630.739 3.537 1 0 KHAFRN COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C ZINC000028635165 561940903 /nfs/dbraw/zinc/94/09/03/561940903.db2.gz WNXCQTNKLOEILK-VEYUFSJPSA-N 0 0 592.778 3.632 1 0 KHAFRN COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(CC(C)C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000028635166 561940909 /nfs/dbraw/zinc/94/09/09/561940909.db2.gz PFIYLBKREQQNAW-FPCALVHFSA-N 0 0 606.805 3.879 1 0 KHAFRN COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000028635168 561940915 /nfs/dbraw/zinc/94/09/15/561940915.db2.gz WRTIXIJPXNNIMM-DKEMSDPASA-N 0 0 711.901 3.928 1 0 KHAFRN CCCCCCNC(=O)NC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000028635212 561940889 /nfs/dbraw/zinc/94/08/89/561940889.db2.gz SYFBCORLPGUAOA-HSZRJFAPSA-N 0 0 630.739 3.585 1 0 KHAFRN CCCCCCNC(=O)NC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000028635214 561940927 /nfs/dbraw/zinc/94/09/27/561940927.db2.gz SYFBCORLPGUAOA-QHCPKHFHSA-N 0 0 630.739 3.585 1 0 KHAFRN CC[C@@H](C)C(=O)O[C@@H]1[C@@H]([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)C(=O)[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000028637302 561941573 /nfs/dbraw/zinc/94/15/73/561941573.db2.gz WLGITUVANAQCQM-NUBRUSDWSA-N 0 0 644.714 3.834 1 0 KHAFRN CC[C@H](C)C(=O)O[C@@H]1[C@@H]([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)C(=O)[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000028637305 561941590 /nfs/dbraw/zinc/94/15/90/561941590.db2.gz WLGITUVANAQCQM-HFXILYKASA-N 0 0 644.714 3.834 1 0 KHAFRN CC[C@@H](C)C(=O)O[C@@H]1[C@H]([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)C(=O)[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000028637307 561941549 /nfs/dbraw/zinc/94/15/49/561941549.db2.gz WLGITUVANAQCQM-NZLIVZNCSA-N 0 0 644.714 3.834 1 0 KHAFRN CC[C@H](C)C(=O)O[C@@H]1[C@H]([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)C(=O)[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000028637310 561941537 /nfs/dbraw/zinc/94/15/37/561941537.db2.gz WLGITUVANAQCQM-OTFOOZBKSA-N 0 0 644.714 3.834 1 0 KHAFRN CNc1ccc(-c2ccc(C(=O)N[C@H](CO)CC(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000028639448 561942548 /nfs/dbraw/zinc/94/25/48/561942548.db2.gz QJONLAMACVEYQL-QFIPXVFZSA-N 0 0 518.614 3.941 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000028640306 561942667 /nfs/dbraw/zinc/94/26/67/561942667.db2.gz KMUYNDFECSBQRL-STVCLKQXSA-N 0 0 639.882 3.728 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000028640833 561943031 /nfs/dbraw/zinc/94/30/31/561943031.db2.gz CPOVYNLWILJVNL-PJRHAEEISA-N 0 0 734.939 3.512 1 0 KHAFRN CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[n-]c21)[C@@H]1CC[N@H+](CC)C1 ZINC000028642423 561943625 /nfs/dbraw/zinc/94/36/25/561943625.db2.gz QGPQKWYMNWOLLI-JOCHJYFZSA-N 0 0 519.646 3.546 1 0 KHAFRN CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[n-]c21)[C@H]1CC[N@H+](CC)C1 ZINC000028642425 561943639 /nfs/dbraw/zinc/94/36/39/561943639.db2.gz QGPQKWYMNWOLLI-QFIPXVFZSA-N 0 0 519.646 3.546 1 0 KHAFRN O=C1OC(=CCn2cc(C=CBr)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028643255 561944051 /nfs/dbraw/zinc/94/40/51/561944051.db2.gz VAGKQXNFRGDHSE-ASOCYRNWSA-N 0 0 537.366 3.988 1 0 KHAFRN CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NC(C)C)C(C)C ZINC000028644525 561944323 /nfs/dbraw/zinc/94/43/23/561944323.db2.gz BJOCXJJVELLFKM-WXRFDULFSA-N 0 0 701.931 3.770 1 0 KHAFRN CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H](Cl)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]2CC3)C1 ZINC000028644834 561944471 /nfs/dbraw/zinc/94/44/71/561944471.db2.gz QYTOJLJPAFMAQT-JXTAMJOQSA-N 0 0 505.051 3.616 1 0 KHAFRN C[C@H](C(=O)N1CCN(C)CC1)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000028645072 561944585 /nfs/dbraw/zinc/94/45/85/561944585.db2.gz ZEIFLSNPTGAGDE-NGPQILRWSA-N 0 0 554.713 3.587 1 0 KHAFRN C[C@H](C(=O)N1CCN(C)CC1)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000028645075 561944619 /nfs/dbraw/zinc/94/46/19/561944619.db2.gz ZEIFLSNPTGAGDE-FPWZBHQPSA-N 0 0 554.713 3.587 1 0 KHAFRN CO/C=C\[C@@H](C(=O)OC)c1ccccc1CSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647680 561945426 /nfs/dbraw/zinc/94/54/26/561945426.db2.gz SYNPMWQXOTUUMT-YAINUAMHSA-N 0 0 545.046 3.691 1 0 KHAFRN CO/C=C\[C@H](C(=O)OC)c1ccccc1CSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647683 561945448 /nfs/dbraw/zinc/94/54/48/561945448.db2.gz SYNPMWQXOTUUMT-JZHDPFOFSA-N 0 0 545.046 3.691 1 0 KHAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3Br)C[C@@]12C ZINC000028702023 561947056 /nfs/dbraw/zinc/94/70/56/561947056.db2.gz LPLNKDACKRUXCO-WTRWFAFPSA-N 0 0 511.365 3.763 1 0 KHAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)ccc2N(Cc2ccc(Br)cc2)C1=O ZINC000028702255 561947068 /nfs/dbraw/zinc/94/70/68/561947068.db2.gz ZUPAARUJOOKFLI-IBGZPJMESA-N 0 0 556.438 3.806 1 0 KHAFRN COc1ccc(CN2CCN(C(=O)COc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c3)CC2)c(OC)c1OC ZINC000028703053 561947570 /nfs/dbraw/zinc/94/75/70/561947570.db2.gz LEWCWFMYPUYGCP-UHFFFAOYSA-N 0 0 560.603 3.915 1 0 KHAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CC(C)C)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000028703379 561947738 /nfs/dbraw/zinc/94/77/38/561947738.db2.gz LPSTZZWXOOHMOA-OZUCLCINSA-N 0 0 534.646 3.586 1 0 KHAFRN COc1ccc(CSC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2ccccc2C)cc1 ZINC000028704806 561948785 /nfs/dbraw/zinc/94/87/85/561948785.db2.gz NSQYSRGSMDKYQP-ISSPZXTRSA-N 0 0 706.931 3.826 1 0 KHAFRN O=C(CNc1cccnc1C(=O)NCc1cccnc1)N1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC000028704864 561948913 /nfs/dbraw/zinc/94/89/13/561948913.db2.gz DURSMDCRSLJCTD-UHFFFAOYSA-N 0 0 513.520 3.907 1 0 KHAFRN O=C(CNc1cccnc1C(=O)NCc1ccncc1)N1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC000028704866 561948916 /nfs/dbraw/zinc/94/89/16/561948916.db2.gz VXVXMSUTJUHXQD-UHFFFAOYSA-N 0 0 513.520 3.907 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C=O)CC2)c(OC)c1 ZINC000028705596 561948979 /nfs/dbraw/zinc/94/89/79/561948979.db2.gz WBYTZDWKKWZKDQ-FQEVSTJZSA-N 0 0 574.613 3.763 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C=O)CC2)c(OC)c1 ZINC000028705599 561948972 /nfs/dbraw/zinc/94/89/72/561948972.db2.gz WBYTZDWKKWZKDQ-HXUWFJFHSA-N 0 0 574.613 3.763 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(N)=O)CC2)c(OC)c1 ZINC000028705614 561949042 /nfs/dbraw/zinc/94/90/42/561949042.db2.gz AAEHQACCLAQBSV-IBGZPJMESA-N 0 0 589.628 3.685 1 0 KHAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(N)=O)CC2)c(OC)c1 ZINC000028705617 561949055 /nfs/dbraw/zinc/94/90/55/561949055.db2.gz AAEHQACCLAQBSV-LJQANCHMSA-N 0 0 589.628 3.685 1 0 KHAFRN COC(=O)N[C@@H](C)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705715 561949157 /nfs/dbraw/zinc/94/91/57/561949157.db2.gz OJYKGYDQYMSCBC-FCHUYYIVSA-N 0 0 675.718 3.877 1 0 KHAFRN COC(=O)N[C@@H](C)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705718 561949128 /nfs/dbraw/zinc/94/91/28/561949128.db2.gz OJYKGYDQYMSCBC-VXKWHMMOSA-N 0 0 675.718 3.877 1 0 KHAFRN COC(=O)N[C@H](C)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705721 561949126 /nfs/dbraw/zinc/94/91/26/561949126.db2.gz OJYKGYDQYMSCBC-FGZHOGPDSA-N 0 0 675.718 3.877 1 0 KHAFRN COC(=O)N[C@H](C)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705725 561949149 /nfs/dbraw/zinc/94/91/49/561949149.db2.gz OJYKGYDQYMSCBC-YADHBBJMSA-N 0 0 675.718 3.877 1 0 KHAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCc4ccccc4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706577 561949706 /nfs/dbraw/zinc/94/97/06/561949706.db2.gz KVLWICDLPIAHCA-FTJBHMTQSA-N 0 0 508.640 3.773 1 0 KHAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)n4nc(-c5ccccc5)cc4N)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706600 561949789 /nfs/dbraw/zinc/94/97/89/561949789.db2.gz TUAUXGUOYDDDKI-SXOMAYOGSA-N 0 0 546.649 3.935 1 0 KHAFRN CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)NCCc4ccccc4)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706836 561949791 /nfs/dbraw/zinc/94/97/91/561949791.db2.gz KVLWICDLPIAHCA-IZZNHLLZSA-N 0 0 508.640 3.773 1 0 KHAFRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)[C@@H](/C=C/C(=O)N[C@@H]2CCCCNC2=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000028707020 561949958 /nfs/dbraw/zinc/94/99/58/561949958.db2.gz CZHUWEVGHMJGQV-BKQBXOLASA-N 0 0 602.519 3.935 1 0 KHAFRN Cc1c(O)ccc2cc(NC(=O)c3ccc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)nc3)c(=O)oc12 ZINC000028708353 561950350 /nfs/dbraw/zinc/95/03/50/561950350.db2.gz WLSJXXPHXOFHAQ-UHFFFAOYSA-N 0 0 513.462 3.827 1 0 KHAFRN O=C(Nc1ccc2c(c1)OCCOCCOCCOCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCOCCOCCOCCO3)c1 ZINC000028708402 561950416 /nfs/dbraw/zinc/95/04/16/561950416.db2.gz UPQHKJRFPKQCRQ-UHFFFAOYSA-N 0 0 696.750 3.833 1 0 KHAFRN Cc1c(O)ccc2cc(NC(=O)c3cccc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)n3)c(=O)oc12 ZINC000028708408 561950407 /nfs/dbraw/zinc/95/04/07/561950407.db2.gz QCLRDLQPBFCSRE-UHFFFAOYSA-N 0 0 513.462 3.827 1 0 KHAFRN Cc1c(O)ccc2cc(NC(=O)c3ccnc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)c3)c(=O)oc12 ZINC000028708412 561950466 /nfs/dbraw/zinc/95/04/66/561950466.db2.gz OIOXUWPDAYNWGS-UHFFFAOYSA-N 0 0 513.462 3.827 1 0 KHAFRN CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCn4c(cnc4-c4ccc(F)cc4F)C3)cc21 ZINC000028708615 561950417 /nfs/dbraw/zinc/95/04/17/561950417.db2.gz OUEOVJVEFYYEIH-UHFFFAOYSA-N 0 0 511.916 3.890 1 0 KHAFRN CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCn4c(cnc4-c4ccc(F)cc4F)C3)cc12 ZINC000028708621 561950460 /nfs/dbraw/zinc/95/04/60/561950460.db2.gz KIYXKDQZRVAMQS-UHFFFAOYSA-N 0 0 525.943 3.900 1 0 KHAFRN CCCCn1c2[nH]c(Cc3ccc(NC(=O)C(F)(F)F)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000028708734 561950455 /nfs/dbraw/zinc/95/04/55/561950455.db2.gz YVUJVJWNLCQLRT-UHFFFAOYSA-N 0 0 517.483 3.965 1 0 KHAFRN O=C(Nc1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1)C(F)(F)F ZINC000028708801 561950459 /nfs/dbraw/zinc/95/04/59/561950459.db2.gz NVJPVJJNHGCISJ-UHFFFAOYSA-N 0 0 515.467 3.575 1 0 KHAFRN Nc1nsc2cc(CNC(=O)Cn3c(=O)c(NC4CCC4)nc(Cl)c3-c3cccc(N)c3)ccc12 ZINC000028709918 561950890 /nfs/dbraw/zinc/95/08/90/561950890.db2.gz MUPFANVTHIEROV-UHFFFAOYSA-N 0 0 510.023 3.619 1 0 KHAFRN Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccc3c(N)nccc3c2)c1 ZINC000028709938 561950835 /nfs/dbraw/zinc/95/08/35/561950835.db2.gz HRYFJQYDZWRTSR-UHFFFAOYSA-N 0 0 503.994 3.557 1 0 KHAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@@]1(=O)OCC[C@@H](c3cccc(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710262 561951279 /nfs/dbraw/zinc/95/12/79/561951279.db2.gz NCJYUFOVHGFEIK-ZVAIIOOOSA-N 0 0 537.853 3.556 1 0 KHAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@]1(=O)OCC[C@@H](c3cccc(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710263 561951251 /nfs/dbraw/zinc/95/12/51/561951251.db2.gz NCJYUFOVHGFEIK-VMTWMFAHSA-N 0 0 537.853 3.556 1 0 KHAFRN OCCNc1nc2c(nc(NCCO)nc2N2CCCCCCCC2)c(N2CCCCCCCC2)n1 ZINC000028710627 561951629 /nfs/dbraw/zinc/95/16/29/561951629.db2.gz BTHKEZXNQLQGJX-UHFFFAOYSA-N 0 0 500.692 3.549 1 0 KHAFRN CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(F)c(F)c2)C(=O)O1)C(C)C ZINC000028711198 561951785 /nfs/dbraw/zinc/95/17/85/561951785.db2.gz JPSCLCKRSRMCFP-PKAIDYEGSA-N 0 0 650.723 3.657 1 0 KHAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)C(C)(C)C ZINC000028711201 561951773 /nfs/dbraw/zinc/95/17/73/561951773.db2.gz TUIJZRRAKRNJGG-CEGHPUJGSA-N 0 0 644.769 3.989 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(c2ccccc2)C(=O)O1)O[C@@H]1CCOC1 ZINC000028711209 561951818 /nfs/dbraw/zinc/95/18/18/561951818.db2.gz VUSUYRYQWVAXMK-ATVLPVODSA-N 0 0 587.673 3.617 1 0 KHAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1 ZINC000028711589 561952020 /nfs/dbraw/zinc/95/20/20/561952020.db2.gz UUYFYCJBQNCVMV-RUZDIDTESA-N 0 0 562.736 3.510 1 0 KHAFRN CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1 ZINC000028711595 561952063 /nfs/dbraw/zinc/95/20/63/561952063.db2.gz CQWNINTZIMKGDV-AREMUKBSSA-N 0 0 576.763 3.852 1 0 KHAFRN Cc1cc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)ccc1Br ZINC000028711605 561952165 /nfs/dbraw/zinc/95/21/65/561952165.db2.gz WIFMUCDEKGRYOX-AREMUKBSSA-N 0 0 614.585 3.758 1 0 KHAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000028711616 561952182 /nfs/dbraw/zinc/95/21/82/561952182.db2.gz ZTGMJEWCWMMZFU-WJOKGBTCSA-N 0 0 582.745 3.962 1 0 KHAFRN O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1)N1CCN(c2ccccn2)CC1 ZINC000028711683 561952211 /nfs/dbraw/zinc/95/22/11/561952211.db2.gz AEOVOIWFGWYZOP-MUUNZHRXSA-N 0 0 652.821 3.922 1 0 KHAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1[nH]nc(NC(=O)c2ccccc2)c1Br ZINC000028711979 561952596 /nfs/dbraw/zinc/95/25/96/561952596.db2.gz BEPXHHMZTMDGJY-QHCPKHFHSA-N 0 0 543.381 3.970 1 0 KHAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1[nH]nc(NC(=O)c2ccccc2)c1Br ZINC000028711980 561952637 /nfs/dbraw/zinc/95/26/37/561952637.db2.gz BEPXHHMZTMDGJY-HSZRJFAPSA-N 0 0 543.381 3.970 1 0 KHAFRN O=C(N[C@@H]1CCCCNC1=O)c1nn(-c2ccccc2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028712004 561952641 /nfs/dbraw/zinc/95/26/41/561952641.db2.gz XFXFJWKRUMIQTP-QGZVFWFLSA-N 0 0 530.810 3.939 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1)C(=O)N[C@@H](C)C(=O)OC ZINC000028712796 561953300 /nfs/dbraw/zinc/95/33/00/561953300.db2.gz BCOOGSADSDZYQA-WDLVALRESA-N 0 0 707.832 3.994 1 0 KHAFRN COC(=O)[C@@H](NC(=O)c1cc(I)c(-c2nc3cc(C)c(C)cc3[nH]2)c(I)c1)[C@@H](C)O ZINC000028712801 561953454 /nfs/dbraw/zinc/95/34/54/561953454.db2.gz GYTAFKJTOBZYDD-ZMZPIMSZSA-N 0 0 633.224 3.708 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1 ZINC000028713019 561953475 /nfs/dbraw/zinc/95/34/75/561953475.db2.gz XBTUOBOFUUFKHT-NDEPHWFRSA-N 0 0 536.558 3.658 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1 ZINC000028713020 561953484 /nfs/dbraw/zinc/95/34/84/561953484.db2.gz XBTUOBOFUUFKHT-MUUNZHRXSA-N 0 0 536.558 3.658 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1F ZINC000028713021 561953504 /nfs/dbraw/zinc/95/35/04/561953504.db2.gz SQQNQXGZOGLOFH-NDEPHWFRSA-N 0 0 554.548 3.797 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1F ZINC000028713022 561953627 /nfs/dbraw/zinc/95/36/27/561953627.db2.gz SQQNQXGZOGLOFH-MUUNZHRXSA-N 0 0 554.548 3.797 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(F)cc1 ZINC000028713023 561953557 /nfs/dbraw/zinc/95/35/57/561953557.db2.gz XKUORPARXILWBO-NDEPHWFRSA-N 0 0 554.548 3.797 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(F)cc1 ZINC000028713024 561953599 /nfs/dbraw/zinc/95/35/99/561953599.db2.gz XKUORPARXILWBO-MUUNZHRXSA-N 0 0 554.548 3.797 1 0 KHAFRN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713037 561953657 /nfs/dbraw/zinc/95/36/57/561953657.db2.gz XZZJCHLRFIZYEL-GDLZYMKVSA-N 0 0 550.585 3.966 1 0 KHAFRN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713038 561953615 /nfs/dbraw/zinc/95/36/15/561953615.db2.gz XZZJCHLRFIZYEL-LJAQVGFWSA-N 0 0 550.585 3.966 1 0 KHAFRN Cc1cccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713039 561953623 /nfs/dbraw/zinc/95/36/23/561953623.db2.gz LTMQQUJIBIVANI-GDLZYMKVSA-N 0 0 550.585 3.966 1 0 KHAFRN Cc1cccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713040 561953544 /nfs/dbraw/zinc/95/35/44/561953544.db2.gz LTMQQUJIBIVANI-LJAQVGFWSA-N 0 0 550.585 3.966 1 0 KHAFRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713041 561953591 /nfs/dbraw/zinc/95/35/91/561953591.db2.gz QYTOZEYJVKISBY-GDLZYMKVSA-N 0 0 550.585 3.966 1 0 KHAFRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713042 561953596 /nfs/dbraw/zinc/95/35/96/561953596.db2.gz QYTOZEYJVKISBY-LJAQVGFWSA-N 0 0 550.585 3.966 1 0 KHAFRN COc1ccccc1C(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713061 561953755 /nfs/dbraw/zinc/95/37/55/561953755.db2.gz PMVHHSILRGWIGT-GDLZYMKVSA-N 0 0 566.584 3.666 1 0 KHAFRN COc1ccccc1C(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713062 561953743 /nfs/dbraw/zinc/95/37/43/561953743.db2.gz PMVHHSILRGWIGT-LJAQVGFWSA-N 0 0 566.584 3.666 1 0 KHAFRN COc1cccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713063 561953712 /nfs/dbraw/zinc/95/37/12/561953712.db2.gz RXCOMQLQKWOEQX-GDLZYMKVSA-N 0 0 566.584 3.666 1 0 KHAFRN COc1cccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713064 561953772 /nfs/dbraw/zinc/95/37/72/561953772.db2.gz RXCOMQLQKWOEQX-LJAQVGFWSA-N 0 0 566.584 3.666 1 0 KHAFRN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713065 561953749 /nfs/dbraw/zinc/95/37/49/561953749.db2.gz RZVBVJVPEGIFMQ-GDLZYMKVSA-N 0 0 566.584 3.666 1 0 KHAFRN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713066 561953761 /nfs/dbraw/zinc/95/37/61/561953761.db2.gz RZVBVJVPEGIFMQ-LJAQVGFWSA-N 0 0 566.584 3.666 1 0 KHAFRN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1OC ZINC000028713069 561953757 /nfs/dbraw/zinc/95/37/57/561953757.db2.gz NFEBQBDNQGGMGV-SSEXGKCCSA-N 0 0 596.610 3.675 1 0 KHAFRN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1OC ZINC000028713070 561953763 /nfs/dbraw/zinc/95/37/63/561953763.db2.gz NFEBQBDNQGGMGV-PMERELPUSA-N 0 0 596.610 3.675 1 0 KHAFRN COc1cc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc(OC)c1OC ZINC000028713071 561953747 /nfs/dbraw/zinc/95/37/47/561953747.db2.gz PZXDYABWCJKZBD-WJOKGBTCSA-N 0 0 626.636 3.684 1 0 KHAFRN COc1cc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc(OC)c1OC ZINC000028713072 561953727 /nfs/dbraw/zinc/95/37/27/561953727.db2.gz PZXDYABWCJKZBD-HKBQPEDESA-N 0 0 626.636 3.684 1 0 KHAFRN CC1([C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](NC(=O)Nc3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713309 561953883 /nfs/dbraw/zinc/95/38/83/561953883.db2.gz RTCWGGHQOHWYBD-BXKFNCPMSA-N 0 0 541.604 3.976 1 0 KHAFRN CC1([C@@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](NC(=O)Nc3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713310 561953897 /nfs/dbraw/zinc/95/38/97/561953897.db2.gz RTCWGGHQOHWYBD-INRHILKHSA-N 0 0 541.604 3.976 1 0 KHAFRN CC1([C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)Nc3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713311 561953903 /nfs/dbraw/zinc/95/39/03/561953903.db2.gz RTCWGGHQOHWYBD-DHANHONYSA-N 0 0 541.604 3.976 1 0 KHAFRN CC1([C@@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)Nc3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713312 561953844 /nfs/dbraw/zinc/95/38/44/561953844.db2.gz RTCWGGHQOHWYBD-YBXOKRSTSA-N 0 0 541.604 3.976 1 0 KHAFRN CC1([C@H](C(=O)NCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713340 561953879 /nfs/dbraw/zinc/95/38/79/561953879.db2.gz VLPYTUSHCKTVQO-DFDSSNSBSA-N 0 0 567.642 3.921 1 0 KHAFRN CC1([C@@H](C(=O)NCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713341 561953909 /nfs/dbraw/zinc/95/39/09/561953909.db2.gz VLPYTUSHCKTVQO-AHRFURGPSA-N 0 0 567.642 3.921 1 0 KHAFRN COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC ZINC000028713893 561954242 /nfs/dbraw/zinc/95/42/42/561954242.db2.gz CKDALLRCYSNSRF-JKSUJKDBSA-N 0 0 516.396 3.858 1 0 KHAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2cccnc2)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000028714441 561955142 /nfs/dbraw/zinc/95/51/42/561955142.db2.gz GBLOXJJRCWJRJJ-ZGCYDNCESA-N 0 0 637.638 3.904 1 0 KHAFRN CC(=O)O[C@H]1CC[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000028714454 561955139 /nfs/dbraw/zinc/95/51/39/561955139.db2.gz JBUYOXQZPWCCTC-NWSGTKMESA-N 0 0 516.543 3.674 1 0 KHAFRN CCCCCO[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@](C)(O)[C@@]13OC2(C)C ZINC000028714477 561955144 /nfs/dbraw/zinc/95/51/44/561955144.db2.gz SMKXUFBJIYLHHB-OSWBYEMOSA-N 0 0 550.645 3.972 1 0 KHAFRN CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccccc1 ZINC000028714482 561955146 /nfs/dbraw/zinc/95/51/46/561955146.db2.gz QGHHUGUJBSYRBI-FTLSXCLFSA-N 0 0 584.618 3.623 1 0 KHAFRN CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@@](C)(O)[C@@]13OC2(C)C ZINC000028714488 561955149 /nfs/dbraw/zinc/95/51/49/561955149.db2.gz ULHAEQMYHVOPAQ-FTLSXCLFSA-N 0 0 584.618 3.623 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(=O)c1ccccc1 ZINC000028714494 561955150 /nfs/dbraw/zinc/95/51/50/561955150.db2.gz PNZVRNRYBVTQAP-FDBQTCDUSA-N 0 0 652.693 3.573 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccco3)[C@@H](OC(=O)c3ccco3)C[C@@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccco1)[C@H]3OC(C)=O ZINC000028714496 561955130 /nfs/dbraw/zinc/95/51/30/561955130.db2.gz PFXTXDULDOUAAQ-CAQSNDCKSA-N 0 0 684.647 3.646 1 0 KHAFRN CCCCCO[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@](C)(O)CC[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H]1OC(=O)c1ccccc1 ZINC000028714507 561955202 /nfs/dbraw/zinc/95/52/02/561955202.db2.gz LYFCNJIUYNHKFP-BKGUSVJPSA-N 0 0 618.720 3.923 1 0 KHAFRN CC(=O)O[C@H]1[C@@H]2C[C@]3(OC2(C)C)[C@](C)(O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]3(C)[C@H]1OC(=O)c1ccccc1 ZINC000028714526 561955252 /nfs/dbraw/zinc/95/52/52/561955252.db2.gz NDGYPTLRFYJRBP-KBPLXNMDSA-N 0 0 652.693 3.571 1 0 KHAFRN CCOC(=O)c1ccc2oc(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)nc2c1 ZINC000028754891 561955365 /nfs/dbraw/zinc/95/53/65/561955365.db2.gz GAWJSQPTHATQCK-XMMPIXPASA-N 0 0 583.576 3.560 1 0 KHAFRN CCOC(=O)c1ccc2oc(C(=O)[C@H](Cc3ccccc3)NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)nc2c1 ZINC000028754895 561955363 /nfs/dbraw/zinc/95/53/63/561955363.db2.gz GAWJSQPTHATQCK-DEOSSOPVSA-N 0 0 583.576 3.560 1 0 KHAFRN CCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028755043 561955343 /nfs/dbraw/zinc/95/53/43/561955343.db2.gz GIRBOQWXCXMIRR-UHFFFAOYSA-N 0 0 561.650 3.909 1 0 KHAFRN CCN(CC)C(=O)c1ccc2oc(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)nc2c1 ZINC000028755242 561955379 /nfs/dbraw/zinc/95/53/79/561955379.db2.gz XKDCZUJYJWQXCC-AREMUKBSSA-N 0 0 610.646 3.865 1 0 KHAFRN CCN(CC)C(=O)c1ccc2oc(C(=O)[C@H](Cc3ccccc3)NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)nc2c1 ZINC000028755244 561955300 /nfs/dbraw/zinc/95/53/00/561955300.db2.gz XKDCZUJYJWQXCC-SANMLTNESA-N 0 0 610.646 3.865 1 0 KHAFRN COC(=O)c1ccc2oc(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cn3c(-c4cccc(Cl)c4)ncc(N)c3=O)nc2c1 ZINC000028755999 561955909 /nfs/dbraw/zinc/95/59/09/561955909.db2.gz CKBHZFRJHJCCDC-HSZRJFAPSA-N 0 0 586.004 3.684 1 0 KHAFRN COC(=O)c1ccc2oc(C(=O)[C@H](Cc3ccccc3)NC(=O)Cn3c(-c4cccc(Cl)c4)ncc(N)c3=O)nc2c1 ZINC000028756001 561955896 /nfs/dbraw/zinc/95/58/96/561955896.db2.gz CKBHZFRJHJCCDC-QHCPKHFHSA-N 0 0 586.004 3.684 1 0 KHAFRN CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O ZINC000028756335 561956150 /nfs/dbraw/zinc/95/61/50/561956150.db2.gz JEJWMCHUFFCHDC-AREMUKBSSA-N 0 0 523.420 3.999 1 0 KHAFRN CC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O ZINC000028756338 561956169 /nfs/dbraw/zinc/95/61/69/561956169.db2.gz JEJWMCHUFFCHDC-SANMLTNESA-N 0 0 523.420 3.999 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)c(OC)c2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028756450 561956272 /nfs/dbraw/zinc/95/62/72/561956272.db2.gz RCSADZPNCVZCNG-UHFFFAOYSA-N 0 0 647.519 3.849 1 0 KHAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O ZINC000028756725 561956482 /nfs/dbraw/zinc/95/64/82/561956482.db2.gz BADTYUHLCFJVTK-VVFBEHOQSA-N 0 0 636.536 3.592 1 0 KHAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O ZINC000028756727 561956445 /nfs/dbraw/zinc/95/64/45/561956445.db2.gz BADTYUHLCFJVTK-FKAPRUDGSA-N 0 0 636.536 3.592 1 0 KHAFRN Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)c2nc3ccccc3s2)c1=O ZINC000028756819 561956447 /nfs/dbraw/zinc/95/64/47/561956447.db2.gz TXYNDCNOFANBEU-QFIPXVFZSA-N 0 0 527.581 3.852 1 0 KHAFRN Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)c2nc3ccccc3s2)c1=O ZINC000028756821 561956473 /nfs/dbraw/zinc/95/64/73/561956473.db2.gz TXYNDCNOFANBEU-JOCHJYFZSA-N 0 0 527.581 3.852 1 0 KHAFRN Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)c2nc3cc(F)ccc3o2)c1=O ZINC000028757070 561956646 /nfs/dbraw/zinc/95/66/46/561956646.db2.gz LJJRCMBYBCDTEQ-QFIPXVFZSA-N 0 0 529.503 3.522 1 0 KHAFRN Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)c2nc3cc(F)ccc3o2)c1=O ZINC000028757073 561956643 /nfs/dbraw/zinc/95/66/43/561956643.db2.gz LJJRCMBYBCDTEQ-JOCHJYFZSA-N 0 0 529.503 3.522 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCC(O)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000028757183 561956706 /nfs/dbraw/zinc/95/67/06/561956706.db2.gz YFBHFLNKVQXMIM-UHFFFAOYSA-N 0 0 539.581 3.933 1 0 KHAFRN COC(=O)c1c(/C=C/c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2cc1C(=O)N1CCN(CCO)CC1 ZINC000028757414 561956870 /nfs/dbraw/zinc/95/68/70/561956870.db2.gz DUJJMBYYIUKDMO-BQYQJAHWSA-N 0 0 594.661 3.590 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2ccccc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028757560 561956851 /nfs/dbraw/zinc/95/68/51/561956851.db2.gz MXBSWGKISRITCX-UHFFFAOYSA-N 0 0 557.441 3.823 1 0 KHAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H]2CCc3ccccc3C2)C1=O ZINC000028757570 561956834 /nfs/dbraw/zinc/95/68/34/561956834.db2.gz LZOUTDRQGXAZRK-HVIPQOSHSA-N 0 0 550.659 3.746 1 0 KHAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H]2CCc3ccccc3C2)C1=O ZINC000028757572 561956860 /nfs/dbraw/zinc/95/68/60/561956860.db2.gz LZOUTDRQGXAZRK-DICHSLLOSA-N 0 0 550.659 3.746 1 0 KHAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H]2CCc3ccccc3C2)C1=O ZINC000028757573 561956866 /nfs/dbraw/zinc/95/68/66/561956866.db2.gz LZOUTDRQGXAZRK-XYFQYJLHSA-N 0 0 550.659 3.746 1 0 KHAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H]2CCc3ccccc3C2)C1=O ZINC000028757575 561956883 /nfs/dbraw/zinc/95/68/83/561956883.db2.gz LZOUTDRQGXAZRK-IEWVHIKDSA-N 0 0 550.659 3.746 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028757660 561956980 /nfs/dbraw/zinc/95/69/80/561956980.db2.gz LPTCICTXERJMHE-UHFFFAOYSA-N 0 0 617.493 3.840 1 0 KHAFRN CC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(C)CCc2cccc(Cl)c2)C1=O ZINC000028757839 561956968 /nfs/dbraw/zinc/95/69/68/561956968.db2.gz GLKHGLXVFHAZBD-MHZLTWQESA-N 0 0 503.002 3.687 1 0 KHAFRN CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N(C)CCc2cccc(Cl)c2)C1=O ZINC000028757841 561956936 /nfs/dbraw/zinc/95/69/36/561956936.db2.gz GLKHGLXVFHAZBD-HHHXNRCGSA-N 0 0 503.002 3.687 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCN(C)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000028757928 561957102 /nfs/dbraw/zinc/95/71/02/561957102.db2.gz BMEXNPQYJSJSBS-UHFFFAOYSA-N 0 0 538.597 3.724 1 0 KHAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)ccc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028758040 561957127 /nfs/dbraw/zinc/95/71/27/561957127.db2.gz ZCTOSHHKKFOARN-UHFFFAOYSA-N 0 0 587.467 3.832 1 0 KHAFRN CC(=O)N1CCC(Oc2ccc(N(C/C=C/c3cc(C(N)=[NH2+])ccc3O)C(=O)CCC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000028758076 561957244 /nfs/dbraw/zinc/95/72/44/561957244.db2.gz CKMZSMXCKBCJMY-NSCUHMNNSA-N 0 0 576.572 3.996 1 0 KHAFRN CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc32)C1=O ZINC000028758173 561957271 /nfs/dbraw/zinc/95/72/71/561957271.db2.gz XEIUBOCJSDTBFM-SSEXGKCCSA-N 0 0 504.590 3.845 1 0 KHAFRN CC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc32)C1=O ZINC000028758178 561957251 /nfs/dbraw/zinc/95/72/51/561957251.db2.gz XEIUBOCJSDTBFM-PMERELPUSA-N 0 0 504.590 3.845 1 0 KHAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC2=NO[C@@H](c3ccccc3)C2)C1=O ZINC000028758714 561957392 /nfs/dbraw/zinc/95/73/92/561957392.db2.gz GPCQDPMKSUIXOO-MXBOTTGLSA-N 0 0 565.630 3.664 1 0 KHAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC2=NO[C@@H](c3ccccc3)C2)C1=O ZINC000028758717 561957362 /nfs/dbraw/zinc/95/73/62/561957362.db2.gz GPCQDPMKSUIXOO-NEEKEDPPSA-N 0 0 565.630 3.664 1 0 KHAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC2=NO[C@H](c3ccccc3)C2)C1=O ZINC000028758721 561957398 /nfs/dbraw/zinc/95/73/98/561957398.db2.gz GPCQDPMKSUIXOO-SUYBVONHSA-N 0 0 565.630 3.664 1 0 KHAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC2=NO[C@H](c3ccccc3)C2)C1=O ZINC000028758724 561957397 /nfs/dbraw/zinc/95/73/97/561957397.db2.gz GPCQDPMKSUIXOO-HVNZXBJASA-N 0 0 565.630 3.664 1 0 KHAFRN COc1cc(OC2CCN(C(C)=O)CC2)ccc1CC(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000028759154 561957422 /nfs/dbraw/zinc/95/74/22/561957422.db2.gz SZPAYMFRPIIMTR-UHFFFAOYSA-N 0 0 521.614 3.775 1 0 KHAFRN CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]21 ZINC000028759406 561957633 /nfs/dbraw/zinc/95/76/33/561957633.db2.gz PMMQOFWSZRQWEV-IYADOWIDSA-N 0 0 583.634 3.755 1 0 KHAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000028759408 561957582 /nfs/dbraw/zinc/95/75/82/561957582.db2.gz PMMQOFWSZRQWEV-ONIPYSJISA-N 0 0 583.634 3.755 1 0 KHAFRN CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]12 ZINC000028759410 561957631 /nfs/dbraw/zinc/95/76/31/561957631.db2.gz PMMQOFWSZRQWEV-UQJNCNCCSA-N 0 0 583.634 3.755 1 0 KHAFRN NC(=[NH2+])c1ccc(O)c(/C=C/CN(C(=O)CCC(=O)[O-])c2ccc(OC3CC[NH+](CC(=O)[O-])CC3)c(C(F)(F)F)c2)c1 ZINC000028760071 561957715 /nfs/dbraw/zinc/95/77/15/561957715.db2.gz DROPCIKBXHBPQC-OWOJBTEDSA-N 0 0 592.571 3.534 1 0 KHAFRN CCc1nc2c(ccc(OC3CCN(C(C)=[NH2+])CC3)c2N(CC(=O)[O-])CC(=O)[O-])n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028760561 561957898 /nfs/dbraw/zinc/95/78/98/561957898.db2.gz JPYVARSPHAMEHS-UHFFFAOYSA-N 0 0 599.692 3.900 1 0 KHAFRN CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761710 561958208 /nfs/dbraw/zinc/95/82/08/561958208.db2.gz SVRGOBJZXFFOFP-QHCPKHFHSA-N 0 0 612.822 3.738 1 0 KHAFRN CC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761831 561958227 /nfs/dbraw/zinc/95/82/27/561958227.db2.gz ILZGEEYBLZYVOT-DEOSSOPVSA-N 0 0 597.807 3.945 1 0 KHAFRN CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C(=O)N1CCN(c2ncccn2)CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000028762168 561958448 /nfs/dbraw/zinc/95/84/48/561958448.db2.gz FADVVQFUTSAQHQ-YTTGMZPUSA-N 0 0 723.837 3.921 1 0 KHAFRN CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1 ZINC000028762452 561958460 /nfs/dbraw/zinc/95/84/60/561958460.db2.gz BIAYMPCMEWZNRY-QFIPXVFZSA-N 0 0 556.754 3.801 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763631 561958834 /nfs/dbraw/zinc/95/88/34/561958834.db2.gz YKGFCXAVGLYHPE-RRWAUBOMSA-N 0 0 689.902 3.823 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763635 561958827 /nfs/dbraw/zinc/95/88/27/561958827.db2.gz YKGFCXAVGLYHPE-BUFBYLGTSA-N 0 0 689.902 3.823 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764086 561958864 /nfs/dbraw/zinc/95/88/64/561958864.db2.gz GKJKDBJJJCYMPS-RRWAUBOMSA-N 0 0 705.901 3.659 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764090 561959056 /nfs/dbraw/zinc/95/90/56/561959056.db2.gz GKJKDBJJJCYMPS-BUFBYLGTSA-N 0 0 705.901 3.659 1 0 KHAFRN CC[C@@H](C)CNC(=O)[C@@H]([NH2+][C@@H](O)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccccc1)CC1CCCCC1)C(C)C ZINC000028764362 561959049 /nfs/dbraw/zinc/95/90/49/561959049.db2.gz HUEINWAWGMRRDW-NGCYCIQESA-N 0 0 589.774 3.666 1 0 KHAFRN CC[C@@H](C)CNC(=O)[C@@H]([NH2+][C@H](O)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccccc1)CC1CCCCC1)C(C)C ZINC000028764364 561959066 /nfs/dbraw/zinc/95/90/66/561959066.db2.gz HUEINWAWGMRRDW-XBHDTAGASA-N 0 0 589.774 3.666 1 0 KHAFRN O=C(NCc1ccccn1)c1c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c2n2c1CCCC2 ZINC000028764589 561959180 /nfs/dbraw/zinc/95/91/80/561959180.db2.gz YKLMGVJEZXDKGA-UHFFFAOYSA-N 0 0 531.611 3.736 1 0 KHAFRN Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000028765396 561959547 /nfs/dbraw/zinc/95/95/47/561959547.db2.gz PFTRTEKHKPGIAI-UHFFFAOYSA-N 0 0 542.034 3.645 1 0 KHAFRN NC(=O)c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1 ZINC000028765847 561959727 /nfs/dbraw/zinc/95/97/27/561959727.db2.gz BLIMNWSQDQYNMP-UHFFFAOYSA-N 0 0 527.579 3.770 1 0 KHAFRN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)CC1 ZINC000028768097 561960292 /nfs/dbraw/zinc/96/02/92/561960292.db2.gz SUQWLSDRZTXODO-UHFFFAOYSA-N 0 0 507.538 3.561 1 0 KHAFRN COc1cc2c(c(OC)c1Oc1nnnn1-c1ccccc1)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000028768800 561960604 /nfs/dbraw/zinc/96/06/04/561960604.db2.gz IGAKVINFHOVEFN-NRFANRHFSA-N 0 0 529.553 3.631 1 0 KHAFRN CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC ZINC000028769228 561960729 /nfs/dbraw/zinc/96/07/29/561960729.db2.gz IWTGIFJJNUPIOB-OZIPUQOZSA-N 0 0 623.839 3.818 1 0 KHAFRN COc1c(Oc2nnnn2-c2ccccc2)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000028769319 561960747 /nfs/dbraw/zinc/96/07/47/561960747.db2.gz GOCQYRYNMGWKOW-NRFANRHFSA-N 0 0 529.553 3.631 1 0 KHAFRN O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1 ZINC000028770184 561961133 /nfs/dbraw/zinc/96/11/33/561961133.db2.gz QVLACFTWGMNBKP-XAZDILKDSA-N 0 0 518.654 3.737 1 0 KHAFRN O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1 ZINC000028770494 561961139 /nfs/dbraw/zinc/96/11/39/561961139.db2.gz QMZHGXPLZJHFBF-VKONIRKNSA-N 0 0 532.681 3.524 1 0 KHAFRN O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000028770495 561961142 /nfs/dbraw/zinc/96/11/42/561961142.db2.gz CBKBMLZVZNDFDQ-VKONIRKNSA-N 0 0 532.681 3.524 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028772183 561961607 /nfs/dbraw/zinc/96/16/07/561961607.db2.gz HBAFSBFLIXGPGN-LVEBQJTPSA-N 0 0 521.497 3.683 1 0 KHAFRN COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1 ZINC000028815533 561962842 /nfs/dbraw/zinc/96/28/42/561962842.db2.gz AGGOMTQTYXFXQA-UHFFFAOYSA-N 0 0 543.030 3.880 1 0 KHAFRN NN1C(=S)N=NC1CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1 ZINC000028815823 561963363 /nfs/dbraw/zinc/96/33/63/561963363.db2.gz VTJHHKHGCGCCJI-UHFFFAOYSA-N 0 0 599.127 3.501 1 0 KHAFRN Cn1cnc(CN2C[C@@H](N(CCNC(=O)OC(C)(C)C)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816047 561963775 /nfs/dbraw/zinc/96/37/75/561963775.db2.gz WIGSROFBNPFTNQ-MHZLTWQESA-N 0 0 605.765 3.968 1 0 KHAFRN Cn1cnc(CN2C[C@H](N(CCNC(=O)OC(C)(C)C)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816049 561963707 /nfs/dbraw/zinc/96/37/07/561963707.db2.gz WIGSROFBNPFTNQ-HHHXNRCGSA-N 0 0 605.765 3.968 1 0 KHAFRN Cn1cnc(CN2C[C@@H](N(CCn3cccc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816059 561963750 /nfs/dbraw/zinc/96/37/50/561963750.db2.gz RDDRWIWSAGLLFM-NDEPHWFRSA-N 0 0 555.708 3.945 1 0 KHAFRN Cn1cnc(CN2C[C@H](N(CCn3cccc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816061 561963754 /nfs/dbraw/zinc/96/37/54/561963754.db2.gz RDDRWIWSAGLLFM-MUUNZHRXSA-N 0 0 555.708 3.945 1 0 KHAFRN Cc1oncc1CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816066 561963747 /nfs/dbraw/zinc/96/37/47/561963747.db2.gz ZYBRFKWHAMSZTN-MHZLTWQESA-N 0 0 557.680 3.939 1 0 KHAFRN Cc1oncc1CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816068 561963799 /nfs/dbraw/zinc/96/37/99/561963799.db2.gz ZYBRFKWHAMSZTN-HHHXNRCGSA-N 0 0 557.680 3.939 1 0 KHAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3F)SCC(=O)N5)C4)c2c1 ZINC000028817461 561964701 /nfs/dbraw/zinc/96/47/01/561964701.db2.gz ZNWBJWPVLWMFFO-HNNXBMFYSA-N 0 0 503.559 3.900 1 0 KHAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3F)SCC(=O)N5)C4)c2c1 ZINC000028817462 561964806 /nfs/dbraw/zinc/96/48/06/561964806.db2.gz ZNWBJWPVLWMFFO-OAHLLOKOSA-N 0 0 503.559 3.900 1 0 KHAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2n1 ZINC000028817471 561964940 /nfs/dbraw/zinc/96/49/40/561964940.db2.gz UJPMBLWNDSWJDX-AWEZNQCLSA-N 0 0 521.002 3.809 1 0 KHAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2n1 ZINC000028817473 561964987 /nfs/dbraw/zinc/96/49/87/561964987.db2.gz UJPMBLWNDSWJDX-CQSZACIVSA-N 0 0 521.002 3.809 1 0 KHAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2n1 ZINC000028817477 561964948 /nfs/dbraw/zinc/96/49/48/561964948.db2.gz KXBSXFWBGDCYLA-AWEZNQCLSA-N 0 0 565.453 3.918 1 0 KHAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2n1 ZINC000028817478 561964989 /nfs/dbraw/zinc/96/49/89/561964989.db2.gz KXBSXFWBGDCYLA-CQSZACIVSA-N 0 0 565.453 3.918 1 0 KHAFRN CCOC(=O)c1cc2c(cc1C(=O)N[C@@H]1CCc3nn(-c4ccnc5ccc(OC)cc54)cc3C1)NC(=O)CS2 ZINC000028817508 561964907 /nfs/dbraw/zinc/96/49/07/561964907.db2.gz NVUUZIGODCVZIK-QGZVFWFLSA-N 0 0 557.632 3.937 1 0 KHAFRN CCOC(=O)c1cc2c(cc1C(=O)N[C@H]1CCc3nn(-c4ccnc5ccc(OC)cc54)cc3C1)NC(=O)CS2 ZINC000028817510 561964889 /nfs/dbraw/zinc/96/48/89/561964889.db2.gz NVUUZIGODCVZIK-KRWDZBQOSA-N 0 0 557.632 3.937 1 0 KHAFRN COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@](O)([C@H](C(=O)N4CCC[C@@H]4OC)[C@H]2c2ccccc2)[C@@H]3O)cc1 ZINC000028818574 291817445 /nfs/dbraw/zinc/81/74/45/291817445.db2.gz OLDQJFAOLFTZIG-QEQDXXSVSA-N 0 0 561.631 3.557 1 0 biogenic,in-vitro KHAFRN O=C(CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000028818842 561965408 /nfs/dbraw/zinc/96/54/08/561965408.db2.gz AGKVOYQQFKGLNS-UHFFFAOYSA-N 0 0 528.565 3.527 1 0 KHAFRN COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819837 561965787 /nfs/dbraw/zinc/96/57/87/561965787.db2.gz KVZAKHKCYVUROJ-GOSISDBHSA-N 0 0 603.613 3.799 1 0 KHAFRN COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819839 561965742 /nfs/dbraw/zinc/96/57/42/561965742.db2.gz KVZAKHKCYVUROJ-SFHVURJKSA-N 0 0 603.613 3.799 1 0 KHAFRN COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2F)cc1 ZINC000028819854 561965837 /nfs/dbraw/zinc/96/58/37/561965837.db2.gz RHCRZYJKBNCOIB-QGZVFWFLSA-N 0 0 621.603 3.938 1 0 KHAFRN COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2F)cc1 ZINC000028819855 561965826 /nfs/dbraw/zinc/96/58/26/561965826.db2.gz RHCRZYJKBNCOIB-KRWDZBQOSA-N 0 0 621.603 3.938 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028819911 561965799 /nfs/dbraw/zinc/96/57/99/561965799.db2.gz WGIHLLOLTLLJBO-JSZBTOJUSA-N 0 0 692.902 3.584 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cccnc1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028819915 561965828 /nfs/dbraw/zinc/96/58/28/561965828.db2.gz RXGAJKWZOKYEED-CVSFOATASA-N 0 0 692.902 3.584 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccoc1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028819936 561965968 /nfs/dbraw/zinc/96/59/68/561965968.db2.gz VCJBDQOXCZMHKX-LYLHADSCSA-N 0 0 681.875 3.782 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028819941 561965943 /nfs/dbraw/zinc/96/59/43/561965943.db2.gz CMJOBYAUOHSQHL-BNQKFVNPSA-N 0 0 732.967 3.912 1 0 KHAFRN CC(C)C[C@@]1(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)CNC1=O ZINC000028820056 561965964 /nfs/dbraw/zinc/96/59/64/561965964.db2.gz DTOQLSZPACOSIH-UJHKNFJSSA-N 0 0 598.744 3.921 1 0 KHAFRN CC(C)C[C@]1(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)CNC1=O ZINC000028820058 561965917 /nfs/dbraw/zinc/96/59/17/561965917.db2.gz DTOQLSZPACOSIH-SVFJEUMRSA-N 0 0 598.744 3.921 1 0 KHAFRN COc1ccc(C[C@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)C(=O)N[C@H](C(=O)N[C@]2(CC(C)C)CNC2=O)C(C)C)c(OC)c1OC ZINC000028820061 561965945 /nfs/dbraw/zinc/96/59/45/561965945.db2.gz VJCQSRXPFRELRY-VSGLXVAPSA-N 0 0 688.822 3.946 1 0 KHAFRN COc1ccc(C[C@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)C(=O)N[C@H](C(=O)N[C@@]2(CC(C)C)CNC2=O)C(C)C)c(OC)c1OC ZINC000028820065 561965967 /nfs/dbraw/zinc/96/59/67/561965967.db2.gz VJCQSRXPFRELRY-UQZYAQTKSA-N 0 0 688.822 3.946 1 0 KHAFRN COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCCN1CCOCC1 ZINC000028822218 561966846 /nfs/dbraw/zinc/96/68/46/561966846.db2.gz BONQCBZOMRGAFO-UHFFFAOYSA-N 0 0 500.962 3.535 1 0 KHAFRN O=C(NCCCN1CCCC1=O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc21 ZINC000028822268 561966831 /nfs/dbraw/zinc/96/68/31/561966831.db2.gz GZOYOEIHAGHGFM-UHFFFAOYSA-N 0 0 565.407 3.869 1 0 KHAFRN C[C@H](Nc1nc(-n2cnc3ccncc32)nc2c1cc(C(=O)NCCCn1ccnc1)n2C)c1ccccc1 ZINC000028822410 561967007 /nfs/dbraw/zinc/96/70/07/561967007.db2.gz GJXKBHVQEUJUGU-IBGZPJMESA-N 0 0 520.601 3.892 1 0 KHAFRN CN(Cc1cc2c(s1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)C[C@@H](O)c1nccs1 ZINC000028822517 561967158 /nfs/dbraw/zinc/96/71/58/561967158.db2.gz MQWPTZNQCAGWBH-LJQANCHMSA-N 0 0 503.049 3.805 1 0 KHAFRN CN(Cc1cc2c(s1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)C[C@H](O)c1nccs1 ZINC000028822518 561967123 /nfs/dbraw/zinc/96/71/23/561967123.db2.gz MQWPTZNQCAGWBH-IBGZPJMESA-N 0 0 503.049 3.805 1 0 KHAFRN Cc1c(CN(C)C[C@@H](O)c2ccc(O)cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822559 561967345 /nfs/dbraw/zinc/96/73/45/561967345.db2.gz SPLCCPCFVONMFS-OAQYLSRUSA-N 0 0 527.046 3.758 1 0 KHAFRN Cc1c(CN(C)C[C@H](O)c2ccc(O)cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822560 561967283 /nfs/dbraw/zinc/96/72/83/561967283.db2.gz SPLCCPCFVONMFS-NRFANRHFSA-N 0 0 527.046 3.758 1 0 KHAFRN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822888 561967608 /nfs/dbraw/zinc/96/76/08/561967608.db2.gz BQZPBHUHBATTHG-FCHUYYIVSA-N 0 0 515.035 3.832 1 0 KHAFRN CC(C)CNC(=O)C1(C(=O)N[C@H]2N=C(c3ccc(C(F)(F)F)cc3)c3ccccc3N(C)C2=O)CCC1 ZINC000028822912 561967668 /nfs/dbraw/zinc/96/76/68/561967668.db2.gz DBTAFVWECVTPIH-JOCHJYFZSA-N 0 0 514.548 3.904 1 0 KHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)C2(C(=O)NCc3cccs3)CCCC2)C1=O ZINC000028822929 561967733 /nfs/dbraw/zinc/96/77/33/561967733.db2.gz IAGWDWIHBNPLAW-XMMPIXPASA-N 0 0 500.624 3.881 1 0 KHAFRN O=C(N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822936 561967691 /nfs/dbraw/zinc/96/76/91/561967691.db2.gz GFUNNBZBGRNVKI-PKTZIBPZSA-N 0 0 525.030 3.992 1 0 KHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)C2(C(=O)NCc3cc(F)cc(F)c3)CCC2)C1=O ZINC000028822937 561967697 /nfs/dbraw/zinc/96/76/97/561967697.db2.gz TYRNAGDUEHYUJW-RUZDIDTESA-N 0 0 516.548 3.708 1 0 KHAFRN CC(C)C[C@H](O)NC(=O)C1(C(=O)N[C@H]2N=C(c3ccc(C(F)(F)F)cc3)c3ccccc3N(C)C2=O)CCC1 ZINC000028822957 561967689 /nfs/dbraw/zinc/96/76/89/561967689.db2.gz FUSBMRJPBQTQFI-JTHBVZDNSA-N 0 0 544.574 3.613 1 0 KHAFRN COC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OCc2ccc(F)cc2)N1C(=O)OC ZINC000028823725 561968351 /nfs/dbraw/zinc/96/83/51/561968351.db2.gz UTOAHSZXJGTOBE-CRICUBBOSA-N 0 0 516.478 3.624 1 0 KHAFRN COC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OCc2ccccc2F)N1C(=O)OC ZINC000028823726 561968367 /nfs/dbraw/zinc/96/83/67/561968367.db2.gz FOOUKAWFWPYWCE-CRICUBBOSA-N 0 0 516.478 3.624 1 0 KHAFRN COc1cc2c(c(OC)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823738 561968355 /nfs/dbraw/zinc/96/83/55/561968355.db2.gz JHGOCRPGQJZSAU-CRICUBBOSA-N 0 0 506.552 3.967 1 0 KHAFRN COCCOCOc1c2c(c(C)c(OC(=O)c3cccnc3)c1C/C=C(\C)CCC(=O)OC)COC2=O ZINC000028824041 561968790 /nfs/dbraw/zinc/96/87/90/561968790.db2.gz VRFAVOZOMFIVDW-REZTVBANSA-N 0 0 513.543 3.721 1 0 KHAFRN COCCOCOc1c2c(c(C)c(OC(=O)c3ccncc3)c1C/C=C(\C)CCC(=O)OC)COC2=O ZINC000028824045 561968733 /nfs/dbraw/zinc/96/87/33/561968733.db2.gz OEKRMFZGWCYJEO-YAXRCOADSA-N 0 0 513.543 3.721 1 0 KHAFRN CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824373 561969568 /nfs/dbraw/zinc/96/95/68/561969568.db2.gz LDSXQJNUHISCNC-GGXMVOPNSA-N 0 0 535.666 3.503 1 0 KHAFRN CN(c1cc2cc(n1)N(Cc1ccccc1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824410 561969666 /nfs/dbraw/zinc/96/96/66/561969666.db2.gz QRBXQQOFAUZPAX-GDLZYMKVSA-N 0 0 536.698 3.824 1 0 KHAFRN COc1nc(OC)nc(N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)n1 ZINC000028824661 561969825 /nfs/dbraw/zinc/96/98/25/561969825.db2.gz 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3.893 1 0 KHAFRN CC[C@@H](C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028949832 561980906 /nfs/dbraw/zinc/98/09/06/561980906.db2.gz AWOJJPZZOHGJMY-ZFWHIUCFSA-N 0 0 578.161 3.503 1 0 KHAFRN CC[C@H](C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028949834 561980928 /nfs/dbraw/zinc/98/09/28/561980928.db2.gz AWOJJPZZOHGJMY-KWTBFXGESA-N 0 0 578.161 3.503 1 0 KHAFRN Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028949839 561980941 /nfs/dbraw/zinc/98/09/41/561980941.db2.gz RHHUKGGTCWPXCS-IHLOFXLRSA-N 0 0 612.178 3.700 1 0 KHAFRN COc1ccc(-c2nc(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)c(CN)o2)c2ccc(C(F)(F)F)nc12 ZINC000028950252 561981226 /nfs/dbraw/zinc/98/12/26/561981226.db2.gz SOMBFHHGZYERAW-UHFFFAOYSA-N 0 0 580.567 3.945 1 0 KHAFRN CC(C)[C@@H]1CCC[C@H](C2(OC(=O)N3CCN(C(C)(C)CO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950678 561981425 /nfs/dbraw/zinc/98/14/25/561981425.db2.gz LZCMGTZILVEQAQ-XZOQPEGZSA-N 0 0 542.142 3.966 1 0 KHAFRN COC(=O)CCNS(=O)(=O)c1ccc(CS(=O)(=O)c2nc3cc(Cl)c(Cl)cc3nc2C(C)C)cc1 ZINC000028950903 561981467 /nfs/dbraw/zinc/98/14/67/561981467.db2.gz MHWODWHVPNUEQF-UHFFFAOYSA-N 0 0 560.481 3.875 1 0 KHAFRN CSC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(N)=O ZINC000028951331 561981562 /nfs/dbraw/zinc/98/15/62/561981562.db2.gz JJPLRCUSXDUGPS-FKBYEOEOSA-N 0 0 559.676 3.698 1 0 KHAFRN O=C(NCCCN1CCOCC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 ZINC000028951754 561981820 /nfs/dbraw/zinc/98/18/20/561981820.db2.gz PYSNXODTSWLJKM-UHFFFAOYSA-N 0 0 553.566 3.720 1 0 KHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2cscn2)NC(=O)OC(C)(C)C)C1=O ZINC000028952547 561982073 /nfs/dbraw/zinc/98/20/73/561982073.db2.gz NCLMQQXIVUQMGG-OFNKIYASSA-N 0 0 519.627 3.535 1 0 KHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)C1=O ZINC000028952602 561982063 /nfs/dbraw/zinc/98/20/63/561982063.db2.gz NMNCSFDNUCUWFV-UHSQPCAPSA-N 0 0 552.656 3.533 1 0 KHAFRN CN(c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)ns3)cc2)ncn1)[C@@H](CO)NO ZINC000028953228 561982348 /nfs/dbraw/zinc/98/23/48/561982348.db2.gz SACDXDHIZMPDAD-IBGZPJMESA-N 0 0 564.525 3.882 1 0 KHAFRN CN(c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)ns3)cc2)ncn1)[C@H](CO)NO ZINC000028953230 561982325 /nfs/dbraw/zinc/98/23/25/561982325.db2.gz SACDXDHIZMPDAD-LJQANCHMSA-N 0 0 564.525 3.882 1 0 KHAFRN Cc1cccc(C)c1CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000028953487 561982295 /nfs/dbraw/zinc/98/22/95/561982295.db2.gz KGRLCSVXOMUGDP-KLGUSJHVSA-N 0 0 613.755 3.521 1 0 KHAFRN Cc1cccc(C)c1CNC(=O)[C@H]1N(C(=O)[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)CCC1(C)C ZINC000028953494 561982288 /nfs/dbraw/zinc/98/22/88/561982288.db2.gz ASGMYMLQCXQIRS-CLOKWESESA-N 0 0 627.782 3.767 1 0 KHAFRN Cc1cccc(C)c1CNC(=O)[C@H]1N(C(=O)[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)COC12CCCC2 ZINC000028953507 561982346 /nfs/dbraw/zinc/98/23/46/561982346.db2.gz AIKBIBDIKZRNKV-YVUAREEGSA-N 0 0 655.792 3.638 1 0 KHAFRN CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953526 561982311 /nfs/dbraw/zinc/98/23/11/561982311.db2.gz NGFARXMOSBGKMH-CQOCVSQPSA-N 0 0 538.661 3.716 1 0 KHAFRN CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953529 561982356 /nfs/dbraw/zinc/98/23/56/561982356.db2.gz NGFARXMOSBGKMH-BWPZPKMVSA-N 0 0 538.661 3.716 1 0 KHAFRN CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953531 561982291 /nfs/dbraw/zinc/98/22/91/561982291.db2.gz NGFARXMOSBGKMH-AUUXCDECSA-N 0 0 538.661 3.716 1 0 KHAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CC[C@@H](CNS(=O)(=O)/C=C/c3ccc(Cl)s3)C2)cc1 ZINC000028955999 561983060 /nfs/dbraw/zinc/98/30/60/561983060.db2.gz XAJKAHCUADPMKM-VSOYFRJCSA-N 0 0 566.126 3.768 1 0 KHAFRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC4=[NH+]CCN4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957956 561983443 /nfs/dbraw/zinc/98/34/43/561983443.db2.gz MHGHYXQIIPLSCN-DEOSSOPVSA-N 0 0 506.628 3.624 1 0 KHAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ncccn2)C1=O ZINC000028958071 561983509 /nfs/dbraw/zinc/98/35/09/561983509.db2.gz XLCKQEBOGQCJJG-NHCUHLMSSA-N 0 0 555.557 3.589 1 0 KHAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2cncnc2)C1=O ZINC000028958073 561983530 /nfs/dbraw/zinc/98/35/30/561983530.db2.gz AOWGWPRODWVCGS-FGZHOGPDSA-N 0 0 555.557 3.589 1 0 KHAFRN Nc1ncnc2c1ncn2CCOCP(=O)(OCOC(=O)OC1CCCC1)OCOC(=O)OC1CCCC1 ZINC000028958195 561983661 /nfs/dbraw/zinc/98/36/61/561983661.db2.gz BTQMVLCBFFQNNW-UHFFFAOYSA-N 0 0 557.497 3.716 1 0 KHAFRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000028958551 561983672 /nfs/dbraw/zinc/98/36/72/561983672.db2.gz POBVOSBDQONMTH-IBGZPJMESA-N 0 0 536.532 3.588 1 0 KHAFRN CC(=O)NC[C@H]1CN(c2ccc(N(C)C3CCN(C(=O)/C=C/C4CCCCC4)CC3)c(F)c2)C(=O)O1 ZINC000028958900 561983677 /nfs/dbraw/zinc/98/36/77/561983677.db2.gz QOVQRYIGNPHAFR-HDFUYHJRSA-N 0 0 500.615 3.851 1 0 KHAFRN CC(=O)NC[C@H]1CN(c2ccc(N(C)C3CCN(C(=O)/C=C/c4c[nH]c5ccccc45)CC3)c(F)c2)C(=O)O1 ZINC000028958924 561983691 /nfs/dbraw/zinc/98/36/91/561983691.db2.gz NWMRPLVDLOAQQE-KXOMFBTKSA-N 0 0 533.604 3.909 1 0 KHAFRN CC(=O)NCCN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965167 561984798 /nfs/dbraw/zinc/98/47/98/561984798.db2.gz AJFBBDWENSRLGH-HKBQPEDESA-N 0 0 680.633 3.638 1 0 KHAFRN CC(=O)NCCN(CC(N)=O)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965172 561984793 /nfs/dbraw/zinc/98/47/93/561984793.db2.gz AJFBBDWENSRLGH-WJOKGBTCSA-N 0 0 680.633 3.638 1 0 KHAFRN CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC1=O ZINC000028965986 561985164 /nfs/dbraw/zinc/98/51/64/561985164.db2.gz CPOVYNLWILJVNL-LJADHVKFSA-N 0 0 734.939 3.512 1 0 KHAFRN CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000028966000 561985139 /nfs/dbraw/zinc/98/51/39/561985139.db2.gz CPOVYNLWILJVNL-VHFAWWBMSA-N 0 0 734.939 3.512 1 0 KHAFRN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1)c(OC(C)=O)c2=O ZINC000028966418 561985115 /nfs/dbraw/zinc/98/51/15/561985115.db2.gz CLFLZTLBCPAWGZ-CQSZACIVSA-N 0 0 641.582 3.980 1 0 KHAFRN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(=O)c3ccc(N)cc3)c1)c(OC(C)=O)c2=O ZINC000028966521 561985237 /nfs/dbraw/zinc/98/52/37/561985237.db2.gz NZRRECYUCGBXMQ-UHFFFAOYSA-N 0 0 589.509 3.963 1 0 KHAFRN CC[C@@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C ZINC000028972718 561986074 /nfs/dbraw/zinc/98/60/74/561986074.db2.gz YDYHOAALGZGNKR-ZGORACDUSA-N 0 0 536.618 3.524 1 0 KHAFRN CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C ZINC000028972723 561986087 /nfs/dbraw/zinc/98/60/87/561986087.db2.gz YDYHOAALGZGNKR-IVTISIJFSA-N 0 0 536.618 3.524 1 0 KHAFRN C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976034 561986645 /nfs/dbraw/zinc/98/66/45/561986645.db2.gz CPXMPFPTEVZISR-OAHLLOKOSA-N 0 0 509.477 3.741 1 0 KHAFRN C[C@H](COC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976090 561986790 /nfs/dbraw/zinc/98/67/90/561986790.db2.gz QHHDMUXGAYEEEM-MRXNPFEDSA-N 0 0 527.430 3.692 1 0 KHAFRN O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977518 561987172 /nfs/dbraw/zinc/98/71/72/561987172.db2.gz CMIGCPSMUVIJCI-VJTSUQJLSA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977523 561987142 /nfs/dbraw/zinc/98/71/42/561987142.db2.gz CMIGCPSMUVIJCI-GPXOXTDOSA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977529 561987168 /nfs/dbraw/zinc/98/71/68/561987168.db2.gz CMIGCPSMUVIJCI-PZUNEJSGSA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977535 561987180 /nfs/dbraw/zinc/98/71/80/561987180.db2.gz CMIGCPSMUVIJCI-QLBJFCOMSA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977545 561987128 /nfs/dbraw/zinc/98/71/28/561987128.db2.gz CMIGCPSMUVIJCI-HVCNVCAESA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977549 561987105 /nfs/dbraw/zinc/98/71/05/561987105.db2.gz CMIGCPSMUVIJCI-CAOCKLPOSA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977556 561987340 /nfs/dbraw/zinc/98/73/40/561987340.db2.gz CMIGCPSMUVIJCI-ZKMPZPQNSA-N 0 0 620.675 3.939 1 0 KHAFRN O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977562 561987308 /nfs/dbraw/zinc/98/73/08/561987308.db2.gz CMIGCPSMUVIJCI-ICDZXHCJSA-N 0 0 620.675 3.939 1 0 KHAFRN COC(=O)c1c(O)cccc1OCCCC[C@@H]1C[NH+]=C([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977713 561987271 /nfs/dbraw/zinc/98/72/71/561987271.db2.gz DXOWZZFILUHUOJ-FIYSCABWSA-N 0 0 716.810 3.867 1 0 KHAFRN COC(=O)c1c(O)cccc1OCCCC[C@@H]1C[NH+]=C([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977720 561987267 /nfs/dbraw/zinc/98/72/67/561987267.db2.gz DXOWZZFILUHUOJ-IXLXJOPFSA-N 0 0 716.810 3.867 1 0 KHAFRN COC(=O)c1c(O)cccc1OCCCC[C@@H]1C[NH+]=C([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977726 561987329 /nfs/dbraw/zinc/98/73/29/561987329.db2.gz DXOWZZFILUHUOJ-YRKKDBSBSA-N 0 0 716.810 3.867 1 0 KHAFRN COC(=O)c1c(O)cccc1OCCCC[C@@H]1C[NH+]=C([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977733 561987297 /nfs/dbraw/zinc/98/72/97/561987297.db2.gz DXOWZZFILUHUOJ-ZSOKXDGFSA-N 0 0 716.810 3.867 1 0 KHAFRN C[C@H](CCCN1CCCS1(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978055 561987611 /nfs/dbraw/zinc/98/76/11/561987611.db2.gz WBNSWMBVSXCFJF-MRXNPFEDSA-N 0 0 521.488 3.885 1 0 KHAFRN C[C@H](CCCn1nnc(N(C)C)n1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978323 561987722 /nfs/dbraw/zinc/98/77/22/561987722.db2.gz LEERYLWKBDZOAT-OAHLLOKOSA-N 0 0 513.451 3.602 1 0 KHAFRN C[C@H](CCCn1nnnc1N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978338 561987650 /nfs/dbraw/zinc/98/76/50/561987650.db2.gz YZUZOPGLOYYWKD-OAHLLOKOSA-N 0 0 513.451 3.602 1 0 KHAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979604 561988340 /nfs/dbraw/zinc/98/83/40/561988340.db2.gz DOQDNPCVZCNUQZ-IYPOZPNPSA-N 0 0 538.072 3.563 1 0 KHAFRN CS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979612 561988324 /nfs/dbraw/zinc/98/83/24/561988324.db2.gz UHAXHIIUCATPBX-XSSIKURBSA-N 0 0 553.087 3.531 1 0 KHAFRN CS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979617 561988301 /nfs/dbraw/zinc/98/83/01/561988301.db2.gz UHAXHIIUCATPBX-BPOBUFBUSA-N 0 0 553.087 3.531 1 0 KHAFRN CN(C)C(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979644 561988237 /nfs/dbraw/zinc/98/82/37/561988237.db2.gz NPLLKOBXORMYRT-CMQXMCPJSA-N 0 0 531.059 3.861 1 0 KHAFRN CN(C)C(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979649 561988308 /nfs/dbraw/zinc/98/83/08/561988308.db2.gz NPLLKOBXORMYRT-PKHIPVCBSA-N 0 0 531.059 3.861 1 0 KHAFRN CN(c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1)S(C)(=O)=O ZINC000028979664 561988232 /nfs/dbraw/zinc/98/82/32/561988232.db2.gz DUNQQPSQOQKYDT-XYDKVEKUSA-N 0 0 567.114 3.555 1 0 KHAFRN CN(c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1)S(C)(=O)=O ZINC000028979669 561988321 /nfs/dbraw/zinc/98/83/21/561988321.db2.gz DUNQQPSQOQKYDT-XUDAUXSOSA-N 0 0 567.114 3.555 1 0 KHAFRN CO[C@H]1C[C@H](C)Cc2cc(O)cc(c2)NC(=O)/C=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000029037434 561988550 /nfs/dbraw/zinc/98/85/50/561988550.db2.gz PSWCTDDGKOXOPF-WPNUPFKDSA-N 0 0 504.624 3.687 1 0 KHAFRN Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC(N)=O)CC1 ZINC000029038362 561988807 /nfs/dbraw/zinc/98/88/07/561988807.db2.gz FTFODOGOVNLBSY-UHFFFAOYSA-N 0 0 547.504 3.747 1 0 KHAFRN Cc1ccc(C[C@H](NC(=O)N2CCN(C)CC2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1 ZINC000029038481 561988988 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ZINC000029128988 562001434 /nfs/dbraw/zinc/00/14/34/562001434.db2.gz PAVNCDNTAVTPEH-UHFFFAOYSA-N 0 0 512.492 3.985 1 0 KHAFRN Cn1nnnc1-c1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)(C)C(=O)[O-])c1 ZINC000029129156 562001712 /nfs/dbraw/zinc/00/17/12/562001712.db2.gz OMYKGVIQNBTKOU-FQEVSTJZSA-N 0 0 537.640 3.845 1 0 KHAFRN CC1(C)CCCNC(=O)[C@@H]1N(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000029129171 562001679 /nfs/dbraw/zinc/00/16/79/562001679.db2.gz HZMYJJGIAUUXRK-QFIPXVFZSA-N 0 0 504.052 3.728 1 0 KHAFRN CC1(C)CCCNC(=O)[C@H]1N(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000029129172 562001667 /nfs/dbraw/zinc/00/16/67/562001667.db2.gz HZMYJJGIAUUXRK-JOCHJYFZSA-N 0 0 504.052 3.728 1 0 KHAFRN O=C(NC1CC1)c1ccc(CN([C@H]2C[C@H](C(F)(F)F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129173 562001708 /nfs/dbraw/zinc/00/17/08/562001708.db2.gz WVTRPWCJXUGFFA-UTKZUKDTSA-N 0 0 543.995 3.880 1 0 KHAFRN O=C(NC1CC1)c1ccc(CN([C@H]2C[C@@H](C(F)(F)F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129174 562001671 /nfs/dbraw/zinc/00/16/71/562001671.db2.gz WVTRPWCJXUGFFA-UWJYYQICSA-N 0 0 543.995 3.880 1 0 KHAFRN O=C(NC1CC1)c1ccc(CN([C@@H]2C[C@H](C(F)(F)F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129175 562001728 /nfs/dbraw/zinc/00/17/28/562001728.db2.gz WVTRPWCJXUGFFA-DYESRHJHSA-N 0 0 543.995 3.880 1 0 KHAFRN O=C(NC1CC1)c1ccc(CN([C@@H]2C[C@@H](C(F)(F)F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129176 562001696 /nfs/dbraw/zinc/00/16/96/562001696.db2.gz WVTRPWCJXUGFFA-LAUBAEHRSA-N 0 0 543.995 3.880 1 0 KHAFRN CC(C)[C@@H]1CCNC(=O)[C@@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129177 562001689 /nfs/dbraw/zinc/00/16/89/562001689.db2.gz NSVAOBVLBQEQFQ-YKSBVNFPSA-N 0 0 518.079 3.974 1 0 KHAFRN CC(C)[C@H]1CCNC(=O)[C@@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129178 562001741 /nfs/dbraw/zinc/00/17/41/562001741.db2.gz NSVAOBVLBQEQFQ-RDPSFJRHSA-N 0 0 518.079 3.974 1 0 KHAFRN CC(C)[C@@H]1CCNC(=O)[C@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129179 562001721 /nfs/dbraw/zinc/00/17/21/562001721.db2.gz NSVAOBVLBQEQFQ-HYBUGGRVSA-N 0 0 518.079 3.974 1 0 KHAFRN CC(C)[C@H]1CCNC(=O)[C@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129180 562001710 /nfs/dbraw/zinc/00/17/10/562001710.db2.gz NSVAOBVLBQEQFQ-GBXCKJPGSA-N 0 0 518.079 3.974 1 0 KHAFRN CC1(C)CC[C@@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C(=O)NC1 ZINC000029129218 562001856 /nfs/dbraw/zinc/00/18/56/562001856.db2.gz JJJBADDMPQTXNN-JOCHJYFZSA-N 0 0 504.052 3.728 1 0 KHAFRN CC1(C)CC[C@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C(=O)NC1 ZINC000029129219 562001822 /nfs/dbraw/zinc/00/18/22/562001822.db2.gz JJJBADDMPQTXNN-QFIPXVFZSA-N 0 0 504.052 3.728 1 0 KHAFRN CN1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn53)CCCCC(=O)Nc3cccc(c3)N4)c2)CC1 ZINC000029129509 562001925 /nfs/dbraw/zinc/00/19/25/562001925.db2.gz YCLTVFQQHWLXJF-UHFFFAOYSA-N 0 0 525.617 3.664 1 0 KHAFRN 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O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000029395649 562018487 /nfs/dbraw/zinc/01/84/87/562018487.db2.gz YFKQDXLMNXUUCE-UIOOFZCWSA-N 0 0 511.626 3.937 1 0 KHAFRN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000029395652 562018536 /nfs/dbraw/zinc/01/85/36/562018536.db2.gz YFKQDXLMNXUUCE-CLJLJLNGSA-N 0 0 511.626 3.937 1 0 KHAFRN CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(N)cc2)NC1=O ZINC000029396284 562018640 /nfs/dbraw/zinc/01/86/40/562018640.db2.gz XPEMFVYGUSQIRR-MVIDNBQJSA-N 0 0 650.842 3.684 1 0 KHAFRN CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1 ZINC000029396674 562018693 /nfs/dbraw/zinc/01/86/93/562018693.db2.gz FMROKUKFSAXFKK-LXQNXJGFSA-N 0 0 587.783 3.515 1 0 KHAFRN COc1ccc(CCN(C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000029397643 562019032 /nfs/dbraw/zinc/01/90/32/562019032.db2.gz 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JJUHEESMLAZPRR-UFHPHHKVSA-N 0 0 593.577 3.789 1 0 KHAFRN CC(=O)Oc1cc(C(=O)Nc2ccccc2NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O ZINC000029399257 562019338 /nfs/dbraw/zinc/01/93/38/562019338.db2.gz NXYQCXADUGUDTO-UHFFFAOYSA-N 0 0 664.576 3.743 1 0 KHAFRN CC(=O)Oc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c2)cc(OC(C)=O)c1OC(C)=O ZINC000029399262 562019304 /nfs/dbraw/zinc/01/93/04/562019304.db2.gz CWQDDOYRQBHJKU-UHFFFAOYSA-N 0 0 664.576 3.743 1 0 KHAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2S(N)(=O)=O)n1 ZINC000029400157 562019631 /nfs/dbraw/zinc/01/96/31/562019631.db2.gz RCRCFZOECZGUFG-UHFFFAOYSA-N 0 0 561.645 3.548 1 0 KHAFRN CC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O ZINC000029401452 562019722 /nfs/dbraw/zinc/01/97/22/562019722.db2.gz SSUPTYZRUHJVNT-UHFFFAOYSA-N 0 0 548.504 3.892 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O ZINC000029401881 562019827 /nfs/dbraw/zinc/01/98/27/562019827.db2.gz LPUSYVHMGOIRQA-QVWWMRLHSA-N 0 0 616.825 3.856 1 0 KHAFRN O=C(CN1CCC(NC(=O)c2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029402713 562019982 /nfs/dbraw/zinc/01/99/82/562019982.db2.gz KXSJYPCJIVTKGL-IZLXSDGUSA-N 0 0 500.618 3.872 1 0 KHAFRN O=C(CN1CCC(NC(=O)c2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029402718 562020021 /nfs/dbraw/zinc/02/00/21/562020021.db2.gz KXSJYPCJIVTKGL-NSOVKSMOSA-N 0 0 500.618 3.872 1 0 KHAFRN O=C(CN1CCC(NC(=O)c2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029402723 562019997 /nfs/dbraw/zinc/01/99/97/562019997.db2.gz KXSJYPCJIVTKGL-VSGBNLITSA-N 0 0 500.618 3.872 1 0 KHAFRN O=C(CN1CCC(NC(=O)c2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029402727 562020010 /nfs/dbraw/zinc/02/00/10/562020010.db2.gz KXSJYPCJIVTKGL-WUFINQPMSA-N 0 0 500.618 3.872 1 0 KHAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C(N)=O)n1 ZINC000029402833 562020017 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ZINC000029406013 562020627 /nfs/dbraw/zinc/02/06/27/562020627.db2.gz ASTNFDNURILBOA-UHFFFAOYSA-N 0 0 502.596 3.883 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCO)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029406083 562020688 /nfs/dbraw/zinc/02/06/88/562020688.db2.gz CYSCZLHRANPFKC-XLACBCRZSA-N 0 0 604.744 3.878 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCS(=O)(=O)CC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029406087 562020659 /nfs/dbraw/zinc/02/06/59/562020659.db2.gz OSOKTVMDIQSICA-AIIVFDHXSA-N 0 0 721.917 3.616 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCS(=O)(=O)CC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029406090 562020673 /nfs/dbraw/zinc/02/06/73/562020673.db2.gz OSOKTVMDIQSICA-AACMMHMGSA-N 0 0 721.917 3.616 1 0 KHAFRN CC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3)cc2)cc1OC(C)=O ZINC000029406176 562020698 /nfs/dbraw/zinc/02/06/98/562020698.db2.gz BMQNYWIGMJWHOX-UHFFFAOYSA-N 0 0 548.504 3.892 1 0 KHAFRN Cc1ccc(O)cc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1C ZINC000029407800 562021050 /nfs/dbraw/zinc/02/10/50/562021050.db2.gz RTTXOKNURJNODV-RTNMLALUSA-N 0 0 568.670 3.819 1 0 KHAFRN CC(C)CC[S@@](=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029409318 562021304 /nfs/dbraw/zinc/02/13/04/562021304.db2.gz JPMPDUJPBTUPBU-LXAGZHQXSA-N 0 0 581.820 3.704 1 0 KHAFRN CC(C)CC[S@](=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029409321 562021322 /nfs/dbraw/zinc/02/13/22/562021322.db2.gz JPMPDUJPBTUPBU-HIYQWYHSSA-N 0 0 581.820 3.704 1 0 KHAFRN C[C@@H]1C(=O)N(C(=O)C2C(C)(C)C2(C)C)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4c3cccc4N(C)C)[C@H]12 ZINC000029411665 562021924 /nfs/dbraw/zinc/02/19/24/562021924.db2.gz RFOUEMCBUWYYFG-HAZMWSEJSA-N 0 0 594.778 3.716 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCS(=O)CC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)N3CCC(C)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412904 562022181 /nfs/dbraw/zinc/02/21/81/562022181.db2.gz URYCDNCZGSNWTO-VVPROGHOSA-N 0 0 523.582 3.805 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029413258 562022305 /nfs/dbraw/zinc/02/23/05/562022305.db2.gz OZGPXSDVWSRZFO-KHFKTTBFSA-N 0 0 576.690 3.918 1 0 KHAFRN CC(=O)NCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC=Cc1c[nH]c2cc(OCc3ccccc3)ncc12 ZINC000029413961 562022350 /nfs/dbraw/zinc/02/23/50/562022350.db2.gz GVLJOPGHVYIAPC-QBFSEMIESA-N 0 0 564.646 3.918 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029414151 562022507 /nfs/dbraw/zinc/02/25/07/562022507.db2.gz AKANIWCKOITLMP-DBXCXBEDSA-N 0 0 687.834 3.744 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029414154 562022568 /nfs/dbraw/zinc/02/25/68/562022568.db2.gz AKANIWCKOITLMP-SNPQORSISA-N 0 0 687.834 3.744 1 0 KHAFRN Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1C ZINC000029414941 562022648 /nfs/dbraw/zinc/02/26/48/562022648.db2.gz ZNUSDDUEKOZNNJ-RTNMLALUSA-N 0 0 566.702 3.572 1 0 KHAFRN CCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)C1=O ZINC000029415212 562022799 /nfs/dbraw/zinc/02/27/99/562022799.db2.gz RNFLMJPUDFNJDQ-NDEPHWFRSA-N 0 0 563.743 3.813 1 0 KHAFRN COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCS(=O)(=O)C(C)C)cc1 ZINC000029415502 562022781 /nfs/dbraw/zinc/02/27/81/562022781.db2.gz UPZQIWBZGUFDCQ-ORYMTKCHSA-N 0 0 705.919 3.611 1 0 KHAFRN CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C ZINC000029416135 562022847 /nfs/dbraw/zinc/02/28/47/562022847.db2.gz BJWWMAAXHWDCAX-ORYMTKCHSA-N 0 0 673.921 3.630 1 0 KHAFRN 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3.971 1 0 KHAFRN NC(=O)CC[C@H](C(N)=O)N(Cc1cc(-c2ccccc2Cl)on1)Cc1ccc(Br)cc1 ZINC000029549760 562030722 /nfs/dbraw/zinc/03/07/22/562030722.db2.gz LHDQNUSYQWIRRO-LJQANCHMSA-N 0 0 505.800 3.879 1 0 KHAFRN NC(=O)CC[C@@H](C(N)=O)N(Cc1cc(-c2ccccc2Cl)on1)Cc1ccc(Br)cc1 ZINC000029549762 562030718 /nfs/dbraw/zinc/03/07/18/562030718.db2.gz LHDQNUSYQWIRRO-IBGZPJMESA-N 0 0 505.800 3.879 1 0 KHAFRN Cc1c(C(=O)N[C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cnc2cc(-c3ccc(Cl)cc3)nn21 ZINC000029550568 562030913 /nfs/dbraw/zinc/03/09/13/562030913.db2.gz XAWIGWYWTPWXKI-AKJBCIBTSA-N 0 0 537.958 3.934 1 0 KHAFRN C[C@@H](n1cnc2cc(-c3ccc(C4=NCCO4)cc3)sc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029550953 562030921 /nfs/dbraw/zinc/03/09/21/562030921.db2.gz HYLQBWMXYSVUBR-CHAGWJKLSA-N 0 0 548.575 3.921 1 0 KHAFRN C[C@@H](n1cnc2cc(OCC(F)(F)C(F)F)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029551190 562031100 /nfs/dbraw/zinc/03/11/00/562031100.db2.gz BOGGIRUZANCZMZ-MCMMXHMISA-N 0 0 527.425 3.694 1 0 KHAFRN CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccc(Br)s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029554373 562031858 /nfs/dbraw/zinc/03/18/58/562031858.db2.gz QENQYVYSOVDJNK-SJBMPIJESA-N 0 0 727.788 3.822 1 0 KHAFRN CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)C(F)(F)F ZINC000029554701 562031855 /nfs/dbraw/zinc/03/18/55/562031855.db2.gz DNOTVFIHOOSWKH-VSKRKVRLSA-N 0 0 519.564 3.857 1 0 KHAFRN CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029554705 562031820 /nfs/dbraw/zinc/03/18/20/562031820.db2.gz DNOTVFIHOOSWKH-FSSWDIPSSA-N 0 0 519.564 3.857 1 0 KHAFRN CCC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029554785 562031854 /nfs/dbraw/zinc/03/18/54/562031854.db2.gz YRTIMVMQGFBGMB-WMKNKADMSA-N 0 0 559.450 3.691 1 0 KHAFRN CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cc(Br)cs3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029555063 562031923 /nfs/dbraw/zinc/03/19/23/562031923.db2.gz UORPPOQBOUNVPY-MUPNWXRXSA-N 0 0 727.788 3.822 1 0 KHAFRN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C(=C1\N=C(c2ccc(Br)cc2)OC1=O)c1ccccc1 ZINC000029556407 562032241 /nfs/dbraw/zinc/03/22/41/562032241.db2.gz PDJUHGYUPWOLMA-AFRYVWSKSA-N 0 0 603.473 3.504 1 0 KHAFRN C[C@@H](n1cnc2c(Br)cc(Br)cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029556493 562032174 /nfs/dbraw/zinc/03/21/74/562032174.db2.gz GAUNGVMJFMECAI-BIBXISHDSA-N 0 0 555.177 3.940 1 0 KHAFRN O=C(Nc1ncc[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4ncc[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000029556734 562032343 /nfs/dbraw/zinc/03/23/43/562032343.db2.gz XFNBBSJRWLSLFP-NWJWHWDBSA-N 0 0 724.822 3.863 1 0 KHAFRN NC(=O)CC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029558620 562032538 /nfs/dbraw/zinc/03/25/38/562032538.db2.gz SSTIHFNVSCKGDZ-VMPREFPWSA-N 0 0 602.135 3.591 1 0 KHAFRN C[C@H](NC(=O)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029558828 562032644 /nfs/dbraw/zinc/03/26/44/562032644.db2.gz ISILZFKHIMGFCX-LGGPFLRQSA-N 0 0 535.648 3.783 1 0 KHAFRN C[C@H](Cc1ccc2c(c1)O[C@](C(=O)[O-])(C(=O)OCCOc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029559849 562032848 /nfs/dbraw/zinc/03/28/48/562032848.db2.gz NUUMAZDCWIZVMC-WNARCLILSA-N 0 0 541.984 3.769 1 0 KHAFRN C[C@H](Cc1ccc2c(c1)O[C@@](C(=O)[O-])(C(=O)OCCOc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029559853 562032789 /nfs/dbraw/zinc/03/27/89/562032789.db2.gz NUUMAZDCWIZVMC-CLAHJSNCSA-N 0 0 541.984 3.769 1 0 KHAFRN CC(=O)c1ccc(N2CCN(C(=O)Cn3cc(Cc4cncnc4)c(=O)nc3SCc3ccc(F)cc3)CC2)cc1 ZINC000029560172 562032928 /nfs/dbraw/zinc/03/29/28/562032928.db2.gz JWCGHIBPLJIFRS-UHFFFAOYSA-N 0 0 572.666 3.607 1 0 KHAFRN O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000029562676 562033585 /nfs/dbraw/zinc/03/35/85/562033585.db2.gz HTUUSHJGXJLMNQ-UHFFFAOYSA-N 0 0 548.619 3.543 1 0 KHAFRN Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)Nc3nn[nH]n3)c1)C[C@@H]2c1ccccc1 ZINC000029563057 562033713 /nfs/dbraw/zinc/03/37/13/562033713.db2.gz NLKGFOOGBGCDAL-JWQCQUIFSA-N 0 0 609.691 3.734 1 0 KHAFRN C[C@H](Cc1ccc2c(c1)O[C@](C(=O)[O-])(C(=O)OCCOC(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563235 562033666 /nfs/dbraw/zinc/03/36/66/562033666.db2.gz DUSWVRCIPDUGDK-MKVPFSFESA-N 0 0 521.994 3.505 1 0 KHAFRN C[C@H](Cc1ccc2c(c1)O[C@@](C(=O)[O-])(C(=O)OCCOC(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563239 562033653 /nfs/dbraw/zinc/03/36/53/562033653.db2.gz DUSWVRCIPDUGDK-AUYISRGKSA-N 0 0 521.994 3.505 1 0 KHAFRN CCCCOCCOC(=O)[C@@]1(C(=O)[O-])Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029563243 562033698 /nfs/dbraw/zinc/03/36/98/562033698.db2.gz FWADDZDRRXLWET-GLEILKSWSA-N 0 0 521.994 3.506 1 0 KHAFRN CCCCOCCOC(=O)[C@]1(C(=O)[O-])Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029563247 562033808 /nfs/dbraw/zinc/03/38/08/562033808.db2.gz FWADDZDRRXLWET-FQHLQPMKSA-N 0 0 521.994 3.506 1 0 KHAFRN C[C@H](Cc1ccc2c(c1)O[C@](C(=O)[O-])(C(=O)OCCOCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563388 562033731 /nfs/dbraw/zinc/03/37/31/562033731.db2.gz QUWNKFLIKGNFFD-AZVHLAMKSA-N 0 0 556.011 3.906 1 0 KHAFRN C[C@H](Cc1ccc2c(c1)O[C@@](C(=O)[O-])(C(=O)OCCOCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563389 562033756 /nfs/dbraw/zinc/03/37/56/562033756.db2.gz QUWNKFLIKGNFFD-CHNYNYQGSA-N 0 0 556.011 3.906 1 0 KHAFRN C[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029563461 562033802 /nfs/dbraw/zinc/03/38/02/562033802.db2.gz OZOUGSZITCUGCW-DCFHFQCYSA-N 0 0 531.056 3.955 1 0 KHAFRN O=C(Cn1cc(Cc2cnc(N3CCOCC3)nc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000029563826 562033961 /nfs/dbraw/zinc/03/39/61/562033961.db2.gz VTMOBRURLVIBQQ-UHFFFAOYSA-N 0 0 650.180 3.894 1 0 KHAFRN NC(=[NH2+])c1ccc(NC(=O)COc2ccc(C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)[O-])cc2)cc1 ZINC000029564159 562034022 /nfs/dbraw/zinc/03/40/22/562034022.db2.gz QSPQVIPQNINLMF-VWLOTQADSA-N 0 0 510.550 3.567 1 0 KHAFRN CCN1[C@@H](CC(C)C)C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@H]34)[C@H]21 ZINC000029565532 562034320 /nfs/dbraw/zinc/03/43/20/562034320.db2.gz QCPZERNKLDMXGC-GQGMDXFGSA-N 0 0 565.674 3.898 1 0 KHAFRN CCN1[C@@H](CC(C)C)C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@@H]34)[C@H]21 ZINC000029565536 562034283 /nfs/dbraw/zinc/03/42/83/562034283.db2.gz QCPZERNKLDMXGC-LNPLAZMFSA-N 0 0 565.674 3.898 1 0 KHAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C2CCC(CC2)[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029565950 562034495 /nfs/dbraw/zinc/03/44/95/562034495.db2.gz POVHMTSKZXKOCN-NUUXYWTLSA-N 0 0 505.578 3.578 1 0 KHAFRN Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C(C)C ZINC000029568923 562035084 /nfs/dbraw/zinc/03/50/84/562035084.db2.gz AGBJVABYWAWOKN-FGZHOGPDSA-N 0 0 532.649 3.756 1 0 KHAFRN CC(C)CCNC(=O)[C@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029570475 562035635 /nfs/dbraw/zinc/03/56/35/562035635.db2.gz COCDSOIMARBICK-JHESMCJISA-N 0 0 712.933 3.693 1 0 KHAFRN CC(C)(C)OC(=O)NCC(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000029571151 562035719 /nfs/dbraw/zinc/03/57/19/562035719.db2.gz ALEZIIVECUFDMT-WDYNHAJCSA-N 0 0 626.710 3.703 1 0 KHAFRN CCOc1c2c(c(N)c(OCC)c1OCC)C(=O)O[C@@H]2[C@H]1c2c(cc(OC)c(OC)c2OC)CCN1C ZINC000031477045 562036235 /nfs/dbraw/zinc/03/62/35/562036235.db2.gz FPSZSEINEGCRIJ-IRLDBZIGSA-N 0 0 516.591 3.931 1 0 in-man KHAFRN COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc5c(c3)OCO5)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000031829711 562036318 /nfs/dbraw/zinc/03/63/18/562036318.db2.gz OCUTXKAKMUXIAQ-VKAHWXPLSA-N 0 0 519.506 3.955 1 0 KHAFRN 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COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000033363653 562037233 /nfs/dbraw/zinc/03/72/33/562037233.db2.gz RWPCCOZRPIKBOH-ODTCIBSJSA-N 0 0 517.601 3.726 1 0 KHAFRN Cc1c2ccccc2sc1CN(C)C(=O)/C=C/c1cnc2c(c1)CN(CCN1CCOCC1)C(=O)N2 ZINC000033991112 562038025 /nfs/dbraw/zinc/03/80/25/562038025.db2.gz LWQRVEMDGXOEIR-BQYQJAHWSA-N 0 0 505.644 3.956 1 0 KHAFRN C[C@@H]1OC(C)(C)O[C@H]1[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O ZINC000034002179 562037957 /nfs/dbraw/zinc/03/79/57/562037957.db2.gz FATWEDBJJYSZOL-PNHOKKKMSA-N 0 0 519.494 3.907 1 0 KHAFRN Cc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2 ZINC000034038683 562038117 /nfs/dbraw/zinc/03/81/17/562038117.db2.gz WDOQRMZARYWHDS-UHFFFAOYSA-N 0 0 501.008 3.637 1 0 KHAFRN CCOC(=O)/C=C/c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn32)cc1 ZINC000034177844 562038353 /nfs/dbraw/zinc/03/83/53/562038353.db2.gz HIMWQCHCBXPDBE-MDZDMXLPSA-N 0 0 516.558 3.777 1 0 KHAFRN CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000034211087 290688106 /nfs/dbraw/zinc/68/81/06/290688106.db2.gz KMFVVUWIGLRRLZ-NTLQYXAJSA-N 0 0 500.676 3.958 1 0 biogenic,in-vitro KHAFRN CC(=O)N1CCN(c2cc3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000034252568 562038496 /nfs/dbraw/zinc/03/84/96/562038496.db2.gz QIEKBURWQYYQLT-HSZRJFAPSA-N 0 0 521.021 3.694 1 0 KHAFRN Cc1cc(NC(=O)NCCN2CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)c2ccccc2n1 ZINC000034272887 562038721 /nfs/dbraw/zinc/03/87/21/562038721.db2.gz QTYFOTBZTXHTIH-SFHVURJKSA-N 0 0 521.565 3.736 1 0 KHAFRN Cc1cc(NC(=O)NCCN2CC[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)c2ccccc2n1 ZINC000034272888 562038714 /nfs/dbraw/zinc/03/87/14/562038714.db2.gz QTYFOTBZTXHTIH-GOSISDBHSA-N 0 0 521.565 3.736 1 0 KHAFRN CC(=O)Nc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc(N3CCOCC3)c2c1 ZINC000034314144 562038717 /nfs/dbraw/zinc/03/87/17/562038717.db2.gz APSUSKFJHUBJPP-UHFFFAOYSA-N 0 0 503.584 3.893 1 0 KHAFRN CN(Cc1cc2c(o1)n(C)cc(C(=O)NCc1ccc(Br)cc1)c2=O)C[C@@H](O)c1ccco1 ZINC000034326933 562038786 /nfs/dbraw/zinc/03/87/86/562038786.db2.gz QDYJJNQPXFTLPX-HXUWFJFHSA-N 0 0 514.376 3.582 1 0 KHAFRN Cc1nn(-c2ccc(S(C)(=O)=O)cc2)c2nc(C)nc(OC3CCN(C(=O)OC(C)(C)C)CC3)c12 ZINC000034444615 562038953 /nfs/dbraw/zinc/03/89/53/562038953.db2.gz JEHGKJLXZUARCY-UHFFFAOYSA-N 0 0 501.609 3.614 1 0 KHAFRN COCCNC(=O)CN1CCC(Oc2cc3c(cc2OC)ncnc3Nc2cccc(Cl)c2F)CC1 ZINC000034534932 562038993 /nfs/dbraw/zinc/03/89/93/562038993.db2.gz BTLOEEXILKUGRC-UHFFFAOYSA-N 0 0 517.989 3.780 1 0 KHAFRN C[C@H](Nc1c(-c2c(F)cc(OCCN3CCOCC3)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000034561547 562039149 /nfs/dbraw/zinc/03/91/49/562039149.db2.gz MIZWZYPKIVHIRV-NSHDSACASA-N 0 0 506.863 3.797 1 0 KHAFRN C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)c1cn(C)c2ccccc12)C(C)(C)C)C(=O)[O-] ZINC000034653491 562039527 /nfs/dbraw/zinc/03/95/27/562039527.db2.gz KMCWHNLVYJHTNQ-AULKDKKBSA-N 0 0 512.695 3.828 1 0 KHAFRN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)N(C)CCO)cc3)sc2n1 ZINC000034663560 562039514 /nfs/dbraw/zinc/03/95/14/562039514.db2.gz ZUWZPKWHGCQWQZ-LJQANCHMSA-N 0 0 518.661 3.615 1 0 KHAFRN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)N(C)CCO)cc3)sc2n1 ZINC000034663561 562039545 /nfs/dbraw/zinc/03/95/45/562039545.db2.gz ZUWZPKWHGCQWQZ-IBGZPJMESA-N 0 0 518.661 3.615 1 0 KHAFRN CN1CCc2nc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000034689265 562039896 /nfs/dbraw/zinc/03/98/96/562039896.db2.gz HSURSXUYOFVNCD-GHTZIAJQSA-N 0 0 573.119 3.804 1 0 KHAFRN CN1CCc2nc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000034689266 562039874 /nfs/dbraw/zinc/03/98/74/562039874.db2.gz HSURSXUYOFVNCD-WIYYLYMNSA-N 0 0 573.119 3.804 1 0 KHAFRN CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(CCc4ccccc4)c(O)cc3O)CC2)cc1 ZINC000034717855 562040007 /nfs/dbraw/zinc/04/00/07/562040007.db2.gz 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562.773 3.650 1 0 KHAFRN C[C@H](CCC(=O)Nc1c(Cl)c(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000034717976 562040201 /nfs/dbraw/zinc/04/02/01/562040201.db2.gz AHJLRPFWRPAGDQ-FNWRCIDUSA-N 0 0 710.743 3.604 1 0 KHAFRN C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000034717978 562040199 /nfs/dbraw/zinc/04/01/99/562040199.db2.gz VOXZUHYGWFXJRX-JCJMYGHPSA-N 0 0 580.763 3.789 1 0 KHAFRN C[C@H](CCC(=O)OCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000034717980 562040213 /nfs/dbraw/zinc/04/02/13/562040213.db2.gz OOWUPWWQYQEDSN-ZGNAOJIBSA-N 0 0 577.784 3.755 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000034800559 562040859 /nfs/dbraw/zinc/04/08/59/562040859.db2.gz PSKLSICGXZNEBV-UHFFFAOYSA-N 0 0 587.418 3.995 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C ZINC000034802542 562041994 /nfs/dbraw/zinc/04/19/94/562041994.db2.gz NDQAQUAWHJQVGE-HZPWIFGKSA-N 0 0 656.846 3.649 1 0 in-vivo KHAFRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C ZINC000034802544 562042084 /nfs/dbraw/zinc/04/20/84/562042084.db2.gz JWIOGOVPAFUFAB-OKNAZKIESA-N 0 0 708.919 3.918 1 0 in-vivo KHAFRN CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(OC)o1 ZINC000034802545 562042126 /nfs/dbraw/zinc/04/21/26/562042126.db2.gz YODJPZCMOLJXNN-INIZCTEOSA-N 0 0 512.485 3.577 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000034803113 562042463 /nfs/dbraw/zinc/04/24/63/562042463.db2.gz FOBRVMHYTDWMJG-ZRBLBEILSA-N 0 0 565.589 3.660 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(N(C)C)cc1 ZINC000034803158 562042468 /nfs/dbraw/zinc/04/24/68/562042468.db2.gz BOYYJGURIUGTOY-DTXPUJKBSA-N 0 0 602.732 3.540 1 0 KHAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(N(C)C)cc1 ZINC000034803167 562042608 /nfs/dbraw/zinc/04/26/08/562042608.db2.gz BOYYJGURIUGTOY-NGDRWEMDSA-N 0 0 602.732 3.540 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccccc1 ZINC000034803187 562042566 /nfs/dbraw/zinc/04/25/66/562042566.db2.gz MRMDMJWTKTVMPI-IARZGTGTSA-N 0 0 557.691 3.663 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000034803203 562042577 /nfs/dbraw/zinc/04/25/77/562042577.db2.gz NRYJQWJSMMVVFJ-VJGNERBWSA-N 0 0 547.652 3.794 1 0 KHAFRN CCn1c2c(C(=O)Nc3cc(Cl)ccc3OC)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000034871688 562043773 /nfs/dbraw/zinc/04/37/73/562043773.db2.gz HMHBYMJSRBPYSY-UHFFFAOYSA-N 0 0 522.005 3.997 1 0 KHAFRN NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccc(N5CCOCC5)c(Cl)c4)c3s2)cc1 ZINC000034874962 562043895 /nfs/dbraw/zinc/04/38/95/562043895.db2.gz LQWYNTJSHSREKZ-UHFFFAOYSA-N 0 0 518.024 3.711 1 0 KHAFRN COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)c2)cc1OC ZINC000034947250 562044085 /nfs/dbraw/zinc/04/40/85/562044085.db2.gz KCPZTHQHJHVUCK-HSZRJFAPSA-N 0 0 503.555 3.548 1 0 KHAFRN COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)c2)cc1OC ZINC000034947252 562044112 /nfs/dbraw/zinc/04/41/12/562044112.db2.gz KCPZTHQHJHVUCK-QHCPKHFHSA-N 0 0 503.555 3.548 1 0 KHAFRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c2ccccc12 ZINC000035002941 562044333 /nfs/dbraw/zinc/04/43/33/562044333.db2.gz RUKIEVFGGFVHSG-UHFFFAOYSA-N 0 0 518.020 3.769 1 0 KHAFRN Cc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)n1-c1ccc(C)c2ccc(C)nc21 ZINC000035002946 562044327 /nfs/dbraw/zinc/04/43/27/562044327.db2.gz IBTOIXIWFYUDEV-UHFFFAOYSA-N 0 0 517.036 3.772 1 0 KHAFRN CC1(C)C[C@@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000035079530 562044738 /nfs/dbraw/zinc/04/47/38/562044738.db2.gz CEHNSDVQCMHROU-JOCHJYFZSA-N 0 0 509.422 3.636 1 0 KHAFRN CC1(C)C[C@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000035079532 562044745 /nfs/dbraw/zinc/04/47/45/562044745.db2.gz CEHNSDVQCMHROU-QFIPXVFZSA-N 0 0 509.422 3.636 1 0 KHAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCC3)CC2)c2ccccc12 ZINC000035242691 562044954 /nfs/dbraw/zinc/04/49/54/562044954.db2.gz BSLPBMWANSWIEK-UHFFFAOYSA-N 0 0 506.628 3.969 1 0 KHAFRN COC[C@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc32)cc(-c2ccc(C(F)(F)F)cc2N)n1 ZINC000035903907 562045607 /nfs/dbraw/zinc/04/56/07/562045607.db2.gz YQSRLPBNYNZCNV-NSHDSACASA-N 0 0 501.469 3.802 1 0 KHAFRN O=C(N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NC[C@@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000035986009 562046000 /nfs/dbraw/zinc/04/60/00/562046000.db2.gz XZIBQYMJWDWYOC-PXNSSMCTSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NC[C@@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000035986010 562045990 /nfs/dbraw/zinc/04/59/90/562045990.db2.gz XZIBQYMJWDWYOC-FXAWDEMLSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NC[C@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000035986011 562046022 /nfs/dbraw/zinc/04/60/22/562046022.db2.gz XZIBQYMJWDWYOC-XLIONFOSSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NC[C@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000035986012 562045996 /nfs/dbraw/zinc/04/59/96/562045996.db2.gz XZIBQYMJWDWYOC-YLJYHZDGSA-N 0 0 517.355 3.758 1 0 KHAFRN CNc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 ZINC000036093427 562047162 /nfs/dbraw/zinc/04/71/62/562047162.db2.gz KRSBRUPKOKPQSB-WNJJXGMVSA-N 0 0 583.730 3.757 1 0 KHAFRN O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccccc1)N1CCC(CCF)CC1 ZINC000036093434 562047210 /nfs/dbraw/zinc/04/72/10/562047210.db2.gz QPLYZOISWZLLNE-LSYYVWMOSA-N 0 0 554.688 3.715 1 0 KHAFRN COc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 ZINC000036093442 562047185 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COc1ccc(S(=O)(=O)N(CC2CCCC2)N2C(=O)C3(CCOCC3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000036140519 562048039 /nfs/dbraw/zinc/04/80/39/562048039.db2.gz IDMDHWCTVXSCOE-DEOSSOPVSA-N 0 0 528.671 3.810 1 0 KHAFRN CN1CCc2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000036140753 562048008 /nfs/dbraw/zinc/04/80/08/562048008.db2.gz QONKHBKJVKMNDU-WIYYLYMNSA-N 0 0 573.119 3.804 1 0 KHAFRN CN1CCc2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000036140757 562047989 /nfs/dbraw/zinc/04/79/89/562047989.db2.gz QONKHBKJVKMNDU-NQIIRXRSSA-N 0 0 573.119 3.804 1 0 KHAFRN O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CC[C@H](F)C2)cc1F ZINC000036140773 562047996 /nfs/dbraw/zinc/04/79/96/562047996.db2.gz RQKARFSPMLRNIR-DVLHMIJYSA-N 0 0 568.071 3.966 1 0 KHAFRN O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CC[C@@H](F)C2)cc1F ZINC000036140777 562048118 /nfs/dbraw/zinc/04/81/18/562048118.db2.gz RQKARFSPMLRNIR-DCOXSSOYSA-N 0 0 568.071 3.966 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)Cc1cc(OC)ccc1C)c1ccccc1 ZINC000036144398 562048280 /nfs/dbraw/zinc/04/82/80/562048280.db2.gz JDWOPYSSMYLNQM-UWPQIUOOSA-N 0 0 525.690 3.602 1 0 KHAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)Cc1cc(OC)ccc1C)c1ccccc1 ZINC000036144402 562048252 /nfs/dbraw/zinc/04/82/52/562048252.db2.gz JDWOPYSSMYLNQM-QXTIUPHPSA-N 0 0 525.690 3.602 1 0 KHAFRN COC(=O)CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000036159601 562048303 /nfs/dbraw/zinc/04/83/03/562048303.db2.gz OEZBWLHAAKESCK-VHNQYOGWSA-N 0 0 525.013 3.646 1 0 KHAFRN CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O ZINC000036160733 562048679 /nfs/dbraw/zinc/04/86/79/562048679.db2.gz KMLPTSBNSKGTKS-ILJQZKEFSA-N 0 0 572.750 3.908 1 0 KHAFRN CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc3ccccc32)NCCOc2ccccc2CCCNC1=O ZINC000036160738 562048617 /nfs/dbraw/zinc/04/86/17/562048617.db2.gz DXNKOOLINCJBEM-ILJQZKEFSA-N 0 0 572.750 3.908 1 0 KHAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn2)c(F)c1 ZINC000036161512 562048766 /nfs/dbraw/zinc/04/87/66/562048766.db2.gz VHQOVNYPEHHDQF-UHFFFAOYSA-N 0 0 508.525 3.730 1 0 KHAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(=O)OC)CC3)cn2)c(F)c1 ZINC000036161654 562048914 /nfs/dbraw/zinc/04/89/14/562048914.db2.gz JCHQHSSUQMZRIU-UHFFFAOYSA-N 0 0 524.524 3.950 1 0 KHAFRN O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@H]2[C@H](CNS(=O)(=O)N2C2CC2)C1 ZINC000036175596 562048988 /nfs/dbraw/zinc/04/89/88/562048988.db2.gz LOQSXWCBLGWFAE-JQOQJDEVSA-N 0 0 517.019 3.769 1 0 KHAFRN O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@@H]2NS(=O)(=O)N(C3CC3)C[C@@H]2C1 ZINC000036175612 562048965 /nfs/dbraw/zinc/04/89/65/562048965.db2.gz REFFKKGLZVSMFQ-JQOQJDEVSA-N 0 0 517.019 3.769 1 0 KHAFRN NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)CC1 ZINC000036177842 562049591 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CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178713 562049771 /nfs/dbraw/zinc/04/97/71/562049771.db2.gz XFYWHOCFLQPKMK-VIJSPRBVSA-N 0 0 621.731 3.983 1 0 KHAFRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178729 562049790 /nfs/dbraw/zinc/04/97/90/562049790.db2.gz XFYWHOCFLQPKMK-UNFRKHOWSA-N 0 0 621.731 3.983 1 0 KHAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H](C(=O)OCc2ccccc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000036178738 562049785 /nfs/dbraw/zinc/04/97/85/562049785.db2.gz XFYWHOCFLQPKMK-YVHASNINSA-N 0 0 621.731 3.983 1 0 KHAFRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178741 562049781 /nfs/dbraw/zinc/04/97/81/562049781.db2.gz DZPRMBZNOPJQKQ-HPEBZSCQSA-N 0 0 629.710 3.693 1 0 KHAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178753 562049784 /nfs/dbraw/zinc/04/97/84/562049784.db2.gz MRCGIJIAIPEQAF-XUJYPJAKSA-N 0 0 607.704 3.593 1 0 KHAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178759 562049769 /nfs/dbraw/zinc/04/97/69/562049769.db2.gz XFYWHOCFLQPKMK-LJWNLINESA-N 0 0 621.731 3.983 1 0 KHAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178770 562049775 /nfs/dbraw/zinc/04/97/75/562049775.db2.gz MRCGIJIAIPEQAF-FWEHEUNISA-N 0 0 607.704 3.593 1 0 KHAFRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1 ZINC000036178780 562049783 /nfs/dbraw/zinc/04/97/83/562049783.db2.gz DZPRMBZNOPJQKQ-KERJZVRCSA-N 0 0 629.710 3.693 1 0 KHAFRN Cc1ccc(C(=O)N(CCC(N)=O)[C@@H](c2nn3c(Cl)ccc3c(=O)n2Cc2ccccc2)C2CC2)cc1 ZINC000036184695 562050230 /nfs/dbraw/zinc/05/02/30/562050230.db2.gz LRNWGLQDKYUQBI-RUZDIDTESA-N 0 0 518.017 3.975 1 0 KHAFRN Cc1ccc(C(=O)N(CCC(N)=O)[C@H](c2nn3c(Cl)ccc3c(=O)n2Cc2ccccc2)C2CC2)cc1 ZINC000036184696 562050292 /nfs/dbraw/zinc/05/02/92/562050292.db2.gz LRNWGLQDKYUQBI-VWLOTQADSA-N 0 0 518.017 3.975 1 0 KHAFRN CC(=O)N1CCN(C(=O)c2cccc(/C=C/c3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1 ZINC000036184832 562050423 /nfs/dbraw/zinc/05/04/23/562050423.db2.gz GASMTHLXWMOHFL-KPKJPENVSA-N 0 0 503.628 3.936 1 0 KHAFRN CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)ccc2N)CC1 ZINC000036184838 562050449 /nfs/dbraw/zinc/05/04/49/562050449.db2.gz ZIVOQVDAIKLHOH-UHFFFAOYSA-N 0 0 538.699 3.640 1 0 KHAFRN CN(C)c1ccc(C(=O)Nc2ncc(SCc3cccc(C(=O)N4CCN(CCO)CC4)c3)s2)cc1 ZINC000036184839 562050451 /nfs/dbraw/zinc/05/04/51/562050451.db2.gz VLQPHCSSQQRKAF-UHFFFAOYSA-N 0 0 525.700 3.504 1 0 KHAFRN CC(=O)N1CCN(C(=O)c2csc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)n2)CC1 ZINC000036184844 562050448 /nfs/dbraw/zinc/05/04/48/562050448.db2.gz YBPAGGHUVVECGN-UHFFFAOYSA-N 0 0 530.701 3.515 1 0 KHAFRN CC(=O)N1CCN(C(=O)c2ccc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)o2)CC1 ZINC000036184845 562050430 /nfs/dbraw/zinc/05/04/30/562050430.db2.gz YCQUGZCSTKDMCE-UHFFFAOYSA-N 0 0 513.645 3.651 1 0 KHAFRN COc1ccc(Sc2cnc(NC(=O)c3ccc(N(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184859 562050479 /nfs/dbraw/zinc/05/04/79/562050479.db2.gz YWVLIRJSHTUKIM-UHFFFAOYSA-N 0 0 539.683 3.926 1 0 KHAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)ccc2O)CC1 ZINC000036184869 562050548 /nfs/dbraw/zinc/05/05/48/562050548.db2.gz GKBXPMCATFNHQZ-UHFFFAOYSA-N 0 0 525.656 3.623 1 0 KHAFRN CC(=O)Nc1ccc(Sc2cnc(NC(=O)c3ccc(N(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184879 562050520 /nfs/dbraw/zinc/05/05/20/562050520.db2.gz AUKRLJSUNHCDDH-UHFFFAOYSA-N 0 0 566.709 3.875 1 0 KHAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c(C)cc2O)CC1 ZINC000036184880 562050540 /nfs/dbraw/zinc/05/05/40/562050540.db2.gz CYENRWZQGSRRDN-UHFFFAOYSA-N 0 0 539.683 3.931 1 0 KHAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c2ccccc12 ZINC000036184931 562050615 /nfs/dbraw/zinc/05/06/15/562050615.db2.gz ATGATFNTNVKEJF-UHFFFAOYSA-N 0 0 536.654 3.595 1 0 KHAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCN3CCOCC3)CC2)c2ccccc12 ZINC000036184933 562050676 /nfs/dbraw/zinc/05/06/76/562050676.db2.gz PEXVJRSYTQCVFU-UHFFFAOYSA-N 0 0 578.735 3.782 1 0 KHAFRN COC(=O)NC[C@@H](CCn1ccc(=O)[nH]c1=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000036185083 562050701 /nfs/dbraw/zinc/05/07/01/562050701.db2.gz OLQLANGSQTYIAN-HSZRJFAPSA-N 0 0 513.594 3.908 1 0 KHAFRN COC(=O)NC[C@H](CCn1ccc(=O)[nH]c1=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000036185085 562050734 /nfs/dbraw/zinc/05/07/34/562050734.db2.gz OLQLANGSQTYIAN-QHCPKHFHSA-N 0 0 513.594 3.908 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C(=O)OC(C)C ZINC000036188372 562050961 /nfs/dbraw/zinc/05/09/61/562050961.db2.gz IDAGTJFHGXSVCC-IIZANFQQSA-N 0 0 612.812 3.796 1 0 KHAFRN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)ccc21 ZINC000036227477 562051851 /nfs/dbraw/zinc/05/18/51/562051851.db2.gz JTAJSXWVZJMYEM-UHFFFAOYSA-N 0 0 506.628 3.768 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F ZINC000036241805 562051969 /nfs/dbraw/zinc/05/19/69/562051969.db2.gz SVIANZQCDOJOQO-QFIPXVFZSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F ZINC000036241807 562051988 /nfs/dbraw/zinc/05/19/88/562051988.db2.gz SVIANZQCDOJOQO-JOCHJYFZSA-N 0 0 530.503 3.931 1 0 KHAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccncc2)c1=O)C(=O)C(F)(F)F ZINC000036241816 562052028 /nfs/dbraw/zinc/05/20/28/562052028.db2.gz UTKFBCLYFMQFLR-QFIPXVFZSA-N 0 0 529.519 3.504 1 0 KHAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccncc2)c1=O)C(=O)C(F)(F)F ZINC000036241818 562051975 /nfs/dbraw/zinc/05/19/75/562051975.db2.gz UTKFBCLYFMQFLR-JOCHJYFZSA-N 0 0 529.519 3.504 1 0 KHAFRN NC(=[NH2+])c1ccc2oc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2c1 ZINC000036269160 562052923 /nfs/dbraw/zinc/05/29/23/562052923.db2.gz JGHDTJHHRBLCCP-PKTZIBPZSA-N 0 0 510.550 3.616 1 0 KHAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cccc2ccccc21 ZINC000036269572 562053079 /nfs/dbraw/zinc/05/30/79/562053079.db2.gz ODDXFSGPQQWPEO-VJGNERBWSA-N 0 0 547.652 3.794 1 0 KHAFRN CCC[C@H](NC(=O)C1(NC(=O)c2ccc(N(C)C)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1 ZINC000036287275 562054802 /nfs/dbraw/zinc/05/48/02/562054802.db2.gz XRIMMJTYAWYVEL-FQEVSTJZSA-N 0 0 507.591 3.996 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)NCC(C)C)[C@@H](C)CC ZINC000036295313 562054850 /nfs/dbraw/zinc/05/48/50/562054850.db2.gz NDYYXVKIFGODKU-VTSYCQLTSA-N 0 0 556.789 3.511 1 0 KHAFRN CCOCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330383 562055637 /nfs/dbraw/zinc/05/56/37/562055637.db2.gz KXTGYMBIVOYPPF-LBNVMWSVSA-N 0 0 612.956 3.946 1 0 KHAFRN COCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330393 562055643 /nfs/dbraw/zinc/05/56/43/562055643.db2.gz WBAITUPEPUOTGJ-LBNVMWSVSA-N 0 0 612.956 3.946 1 0 KHAFRN C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccccc1CNS(C)(=O)=O ZINC000036330421 562055797 /nfs/dbraw/zinc/05/57/97/562055797.db2.gz ORYMXHUFOAZSNG-LJAQVGFWSA-N 0 0 545.665 3.855 1 0 KHAFRN C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccccc1CNS(C)(=O)=O ZINC000036330422 562055827 /nfs/dbraw/zinc/05/58/27/562055827.db2.gz ORYMXHUFOAZSNG-GDLZYMKVSA-N 0 0 545.665 3.855 1 0 KHAFRN C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(CNS(C)(=O)=O)cc1 ZINC000036330433 562055769 /nfs/dbraw/zinc/05/57/69/562055769.db2.gz HWHGRAMVKSPMDJ-LJAQVGFWSA-N 0 0 545.665 3.855 1 0 KHAFRN C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(CNS(C)(=O)=O)cc1 ZINC000036330434 562055835 /nfs/dbraw/zinc/05/58/35/562055835.db2.gz HWHGRAMVKSPMDJ-GDLZYMKVSA-N 0 0 545.665 3.855 1 0 KHAFRN C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(CNS(C)(=O)=O)c1 ZINC000036330435 562055772 /nfs/dbraw/zinc/05/57/72/562055772.db2.gz BIHDOYKIKJUQTP-LJAQVGFWSA-N 0 0 545.665 3.855 1 0 KHAFRN C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(CNS(C)(=O)=O)c1 ZINC000036330436 562055754 /nfs/dbraw/zinc/05/57/54/562055754.db2.gz BIHDOYKIKJUQTP-GDLZYMKVSA-N 0 0 545.665 3.855 1 0 KHAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)COC(=O)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331151 562056246 /nfs/dbraw/zinc/05/62/46/562056246.db2.gz SNDJSYLZGTZNMH-KEYQRKJSSA-N 0 0 582.650 3.903 1 0 KHAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC(=O)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331155 562056230 /nfs/dbraw/zinc/05/62/30/562056230.db2.gz SNDJSYLZGTZNMH-HXMHSTOVSA-N 0 0 582.650 3.903 1 0 KHAFRN CCC[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O ZINC000036331167 562056238 /nfs/dbraw/zinc/05/62/38/562056238.db2.gz WFRDGWAGSDBCCV-LICMTIEISA-N 0 0 640.730 3.863 1 0 KHAFRN CCC[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O ZINC000036331171 562056207 /nfs/dbraw/zinc/05/62/07/562056207.db2.gz WFRDGWAGSDBCCV-LJNRZNKNSA-N 0 0 640.730 3.863 1 0 KHAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331234 562056330 /nfs/dbraw/zinc/05/63/30/562056330.db2.gz KSHVXDGRNDIMQZ-LICMTIEISA-N 0 0 640.730 3.863 1 0 KHAFRN Nc1ncnc2nc(-c3ccc(N4CCC(O)([C@@H]5CCOC5=O)CC4)nc3)cc(-c3cccc(Br)c3)c12 ZINC000036338403 562056939 /nfs/dbraw/zinc/05/69/39/562056939.db2.gz CCOADJMPSXNLSS-HXUWFJFHSA-N 0 0 561.440 3.993 1 0 KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000036338655 562057150 /nfs/dbraw/zinc/05/71/50/562057150.db2.gz BHYPIIUJEQHYIP-YWVQAIGBSA-N 0 0 593.769 3.535 1 0 KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cn(CC)c3ccccc3c2=O)NC1=O ZINC000036338663 562057135 /nfs/dbraw/zinc/05/71/35/562057135.db2.gz QIRFIQOIPIMCJZ-SHUILBLCSA-N 0 0 635.806 3.519 1 0 KHAFRN O=c1c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](O)[C@H]3O)c2ncn1CC1CC1 ZINC000036338739 562057236 /nfs/dbraw/zinc/05/72/36/562057236.db2.gz UTXUWUTZGDAURC-DWCTZGTLSA-N 0 0 564.642 3.631 1 0 in-vivo KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC1=O ZINC000036350347 562058121 /nfs/dbraw/zinc/05/81/21/562058121.db2.gz RZIVQAPDZCRFHM-GMFLJSBRSA-N 0 0 607.796 3.546 1 0 KHAFRN CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@]12C ZINC000036372360 562059660 /nfs/dbraw/zinc/05/96/60/562059660.db2.gz ILKJAFIWWBXGDU-AYVMVFEHSA-N 0 0 502.579 3.524 1 0 KHAFRN COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375674 562059657 /nfs/dbraw/zinc/05/96/57/562059657.db2.gz YNKNSCQZOAFZPG-LSYYVWMOSA-N 0 0 523.607 3.742 1 0 KHAFRN CN1CCOc2cc(S(=O)(=O)N3CCN(c4nc(-c5cccs5)nc5ccccc54)CC3)ccc21 ZINC000036381490 562059804 /nfs/dbraw/zinc/05/98/04/562059804.db2.gz HGGPHNVGLDSHSN-UHFFFAOYSA-N 0 0 507.641 3.698 1 0 KHAFRN CCOC(=O)[C@H](Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000036411819 562060576 /nfs/dbraw/zinc/06/05/76/562060576.db2.gz UFJRNPWYWUKTHQ-SFHVURJKSA-N 0 0 504.370 3.667 1 0 KHAFRN COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)C2=C(C(=O)N4CCC[C@H]4N2)[C@H]3c2ccccc2)cc1 ZINC000036447474 562060677 /nfs/dbraw/zinc/06/06/77/562060677.db2.gz HSVMIKSELPDICN-OTEJJTPWSA-N 0 0 526.589 3.791 1 0 KHAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc2N(Cc2ccc(OCCF)cc2)C1=O ZINC000037866131 562062275 /nfs/dbraw/zinc/06/22/75/562062275.db2.gz JVKBLHAUEXSZHN-NRFANRHFSA-N 0 0 538.597 3.997 1 0 KHAFRN COC(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000038139660 562062597 /nfs/dbraw/zinc/06/25/97/562062597.db2.gz XVICTUZGWSSFJE-ZYFLPPHXSA-N 0 0 528.598 3.842 1 0 KHAFRN Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4c3ncn4COC(=O)C(C)(C)C)CC2)cc1 ZINC000038142199 562063499 /nfs/dbraw/zinc/06/34/99/562063499.db2.gz UDBMMNNANHSLAL-UHFFFAOYSA-N 0 0 554.698 3.921 1 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23CCC(=O)N(CCc2ccccn2)C3=N1 ZINC000038142203 562063502 /nfs/dbraw/zinc/06/35/02/562063502.db2.gz LCRDHXICDMMTDQ-IUDBTDONSA-N 0 0 550.615 3.586 1 0 KHAFRN CCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccc(I)cc2c1=O ZINC000038143008 562063598 /nfs/dbraw/zinc/06/35/98/562063598.db2.gz NDVXHPZENKOVKX-UHFFFAOYSA-N 0 0 584.414 3.940 1 0 KHAFRN CC(C)(O)C=CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@@]12C ZINC000038147453 562065585 /nfs/dbraw/zinc/06/55/85/562065585.db2.gz NISPVUDLMHQFRQ-OJRKSADQSA-N 0 0 514.659 3.619 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]21)Oc1cncs1 ZINC000038153377 562067705 /nfs/dbraw/zinc/06/77/05/562067705.db2.gz RVOVCDTXFQYDDZ-OMZLEWPNSA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)Oc1cncs1 ZINC000038153379 562067769 /nfs/dbraw/zinc/06/77/69/562067769.db2.gz RVOVCDTXFQYDDZ-OYTVUCGESA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]21)Oc1cncs1 ZINC000038153389 562067758 /nfs/dbraw/zinc/06/77/58/562067758.db2.gz LGAXXBPDVKYGGT-OMZLEWPNSA-N 0 0 567.664 3.693 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)Oc1cncs1 ZINC000038153394 562067767 /nfs/dbraw/zinc/06/77/67/562067767.db2.gz LGAXXBPDVKYGGT-OYTVUCGESA-N 0 0 567.664 3.693 1 0 KHAFRN CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3CCc4ccccc43)cc2)cc1 ZINC000038156532 562068296 /nfs/dbraw/zinc/06/82/96/562068296.db2.gz OXSFIKMJKHBQLM-UHFFFAOYSA-N 0 0 500.628 3.886 1 0 KHAFRN CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3COc4ccccc4O3)cc2)cc1 ZINC000038156534 562068216 /nfs/dbraw/zinc/06/82/16/562068216.db2.gz KMTFALNTNJWWFS-QFIPXVFZSA-N 0 0 503.584 3.836 1 0 KHAFRN CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@H]3COc4ccccc4O3)cc2)cc1 ZINC000038156535 562068268 /nfs/dbraw/zinc/06/82/68/562068268.db2.gz KMTFALNTNJWWFS-JOCHJYFZSA-N 0 0 503.584 3.836 1 0 KHAFRN CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000038158135 562070127 /nfs/dbraw/zinc/07/01/27/562070127.db2.gz XMMFPJKTYCBGFE-YVAGMXFSSA-N 0 0 602.861 3.981 1 0 KHAFRN CCc1cc2c(nc(NC[C@@H](O)CO)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000038218345 562070505 /nfs/dbraw/zinc/07/05/05/562070505.db2.gz BQMFRENFUXBROP-JOCHJYFZSA-N 0 0 517.655 3.648 1 0 KHAFRN Cc1nc(S(C)(=O)=O)ccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1OC(C)C ZINC000038228612 562070637 /nfs/dbraw/zinc/07/06/37/562070637.db2.gz PXMWCGIHDBPCJK-UHFFFAOYSA-N 0 0 507.613 3.503 1 0 KHAFRN O=C(N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000038228928 562070644 /nfs/dbraw/zinc/07/06/44/562070644.db2.gz SBGPEHZLPVWKDI-PXNSSMCTSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000038228930 562070629 /nfs/dbraw/zinc/07/06/29/562070629.db2.gz SBGPEHZLPVWKDI-FXAWDEMLSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000038228932 562070625 /nfs/dbraw/zinc/07/06/25/562070625.db2.gz SBGPEHZLPVWKDI-XLIONFOSSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@H]1CC(Br)=NO1)OCc1ccccc1 ZINC000038228934 562070641 /nfs/dbraw/zinc/07/06/41/562070641.db2.gz SBGPEHZLPVWKDI-YLJYHZDGSA-N 0 0 517.355 3.758 1 0 KHAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2ccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000038257548 562070635 /nfs/dbraw/zinc/07/06/35/562070635.db2.gz MOCVBJOZHOAQQH-OXQOHEQNSA-N 0 0 507.545 3.865 1 0 KHAFRN COCCNS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1 ZINC000038257877 562070772 /nfs/dbraw/zinc/07/07/72/562070772.db2.gz PMCDFNOKUMRKOJ-LJQANCHMSA-N 0 0 518.661 3.927 1 0 KHAFRN COCCNS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1 ZINC000038257879 562070770 /nfs/dbraw/zinc/07/07/70/562070770.db2.gz PMCDFNOKUMRKOJ-IBGZPJMESA-N 0 0 518.661 3.927 1 0 KHAFRN CCOC(=O)N1CCN(c2ccc3cc(-c4ccccc4)c(N4CCN(C(=O)OCC)CC4)nc3n2)CC1 ZINC000038264877 562070796 /nfs/dbraw/zinc/07/07/96/562070796.db2.gz RINRJMGSHDKMIA-UHFFFAOYSA-N 0 0 518.618 3.854 1 0 KHAFRN CN(C)C(=O)CCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372500 562071416 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CN1C[C@@](C)(COc2ccc(C(N)=[NH2+])cc2)Oc2cc(NC(=O)[C@@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC000040863701 562081095 /nfs/dbraw/zinc/08/10/95/562081095.db2.gz CLBIPVQEMSMMJN-DFHRPNOPSA-N 0 0 502.571 3.519 1 0 KHAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3)ccc2N(Cc2ccc(F)cc2)C1=O ZINC000040864521 562081168 /nfs/dbraw/zinc/08/11/68/562081168.db2.gz XTJXPXISUPCRAQ-FQEVSTJZSA-N 0 0 512.534 3.926 1 0 KHAFRN CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc4c(c2cc1C3)CN(c1ccc(F)cc1F)CO4 ZINC000040864899 562081137 /nfs/dbraw/zinc/08/11/37/562081137.db2.gz KJTRXKFSLOUYKS-NDEPHWFRSA-N 0 0 517.488 3.714 1 0 KHAFRN Cc1cccc(OS(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)CC2CC2)c1 ZINC000040865236 562081320 /nfs/dbraw/zinc/08/13/20/562081320.db2.gz XXOPERZGMCYZIH-MSLLRLGPSA-N 0 0 512.672 3.775 1 0 KHAFRN CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H](C)CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000040865879 562081316 /nfs/dbraw/zinc/08/13/16/562081316.db2.gz JJMPZKDTRWEIEO-COFKYPDJSA-N 0 0 532.703 3.580 1 0 KHAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2cccc(OC)n2)CC1 ZINC000040866396 562081425 /nfs/dbraw/zinc/08/14/25/562081425.db2.gz XLWAVIJPPDKSOS-UHFFFAOYSA-N 0 0 500.448 3.900 1 0 KHAFRN COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c(OC)c1 ZINC000040867186 562081550 /nfs/dbraw/zinc/08/15/50/562081550.db2.gz OOAHJEXZHNBVOV-QFIPXVFZSA-N 0 0 527.599 3.733 1 0 KHAFRN COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c(OC)c1 ZINC000040867188 562081547 /nfs/dbraw/zinc/08/15/47/562081547.db2.gz OOAHJEXZHNBVOV-JOCHJYFZSA-N 0 0 527.599 3.733 1 0 KHAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(NS(C)(=O)=O)CC4)cc2)CC3)cc1 ZINC000040873661 562081769 /nfs/dbraw/zinc/08/17/69/562081769.db2.gz COUKFHUANYJQKW-UHFFFAOYSA-N 0 0 520.533 3.641 1 0 KHAFRN O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 ZINC000040873787 562081807 /nfs/dbraw/zinc/08/18/07/562081807.db2.gz IISUECSUWJMYQX-LJAQVGFWSA-N 0 0 525.634 3.894 1 0 KHAFRN COc1cc(C)c(N(C)C(=O)CN(C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000040875003 562082015 /nfs/dbraw/zinc/08/20/15/562082015.db2.gz ZUXJDKZUOTZPMQ-UHFFFAOYSA-N 0 0 520.569 3.525 1 0 KHAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)CNc4cccc(OC)c4)ccc3CC[C@H]2O)cc1 ZINC000040877065 562082317 /nfs/dbraw/zinc/08/23/17/562082317.db2.gz FBAUTGVCTNFPOI-XNMGPUDCSA-N 0 0 509.628 3.635 1 0 KHAFRN COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000040878977 562082454 /nfs/dbraw/zinc/08/24/54/562082454.db2.gz IKWHWJFNGWUVIJ-UHFFFAOYSA-N 0 0 506.542 3.500 1 0 KHAFRN COC(=O)[C@H](C(=O)N1CCOCC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891643 562082749 /nfs/dbraw/zinc/08/27/49/562082749.db2.gz CHTFTCJIJTVERK-YADHBBJMSA-N 0 0 513.388 3.786 1 0 KHAFRN COC(=O)[C@H](C(=O)N1CCOCC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891644 562082731 /nfs/dbraw/zinc/08/27/31/562082731.db2.gz CHTFTCJIJTVERK-VXKWHMMOSA-N 0 0 513.388 3.786 1 0 KHAFRN COC(=O)[C@@H](C(=O)N1CCOCC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891645 562082760 /nfs/dbraw/zinc/08/27/60/562082760.db2.gz CHTFTCJIJTVERK-FGZHOGPDSA-N 0 0 513.388 3.786 1 0 KHAFRN COC(=O)[C@@H](C(=O)N1CCOCC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891646 562082738 /nfs/dbraw/zinc/08/27/38/562082738.db2.gz CHTFTCJIJTVERK-FCHUYYIVSA-N 0 0 513.388 3.786 1 0 KHAFRN NC(=O)c1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000040893019 562082939 /nfs/dbraw/zinc/08/29/39/562082939.db2.gz XZHUYCOGLMLKBW-UHFFFAOYSA-N 0 0 500.989 3.769 1 0 KHAFRN COc1cc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@](C)(CC[C@@]4(O)C(C)(C)CCC(=O)[C@@]42C)O3)cc(OC)c1OC ZINC000040893025 562082882 /nfs/dbraw/zinc/08/28/82/562082882.db2.gz XXVYSNLGMJWPMS-VJLHXPKFSA-N 0 0 528.598 3.678 1 0 KHAFRN CC(C)Oc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)[O-] ZINC000040893656 562082933 /nfs/dbraw/zinc/08/29/33/562082933.db2.gz XSYODGSTDUWSRP-VWLOTQADSA-N 0 0 528.627 3.782 1 0 KHAFRN CS(=O)(=O)N1CCC2(C1)CCN(c1ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn1)CC2 ZINC000040896333 562082988 /nfs/dbraw/zinc/08/29/88/562082988.db2.gz IUVAYOKBTWTIGY-UHFFFAOYSA-N 0 0 511.673 3.897 1 0 KHAFRN CN(CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1)CC(=O)Nc1ccc(OC[C@H](O)c2ccccc2)cc1 ZINC000040896358 562083000 /nfs/dbraw/zinc/08/30/00/562083000.db2.gz COBRSPYMXUAXIN-MHZLTWQESA-N 0 0 505.615 3.890 1 0 KHAFRN CN(c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1)S(C)(=O)=O ZINC000040896428 562083164 /nfs/dbraw/zinc/08/31/64/562083164.db2.gz NZNRLSKYWIKFMQ-UHFFFAOYSA-N 0 0 506.510 3.742 1 0 KHAFRN Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1 ZINC000040899308 562083335 /nfs/dbraw/zinc/08/33/35/562083335.db2.gz ASRPLHQXFWEEDQ-UHFFFAOYSA-N 0 0 507.982 3.960 1 0 KHAFRN O=C(CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000040899338 562083296 /nfs/dbraw/zinc/08/32/96/562083296.db2.gz NVZGJJYOXTVAGT-NRFANRHFSA-N 0 0 528.513 3.774 1 0 KHAFRN O=C(CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000040899341 562083347 /nfs/dbraw/zinc/08/33/47/562083347.db2.gz NVZGJJYOXTVAGT-OAQYLSRUSA-N 0 0 528.513 3.774 1 0 KHAFRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000040900775 562083530 /nfs/dbraw/zinc/08/35/30/562083530.db2.gz BPDZIVCIXJQKGZ-INIZCTEOSA-N 0 0 516.542 3.576 1 0 KHAFRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000040900778 562083553 /nfs/dbraw/zinc/08/35/53/562083553.db2.gz BPDZIVCIXJQKGZ-MRXNPFEDSA-N 0 0 516.542 3.576 1 0 KHAFRN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4cnc5[nH]c(=O)c(=O)[nH]c5c4)CC3)[nH]2)cc1 ZINC000040901013 562083541 /nfs/dbraw/zinc/08/35/41/562083541.db2.gz XHQHYXWJUZSIFJ-UHFFFAOYSA-N 0 0 509.614 3.774 1 0 KHAFRN O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ccccc21 ZINC000040901391 562083523 /nfs/dbraw/zinc/08/35/23/562083523.db2.gz XHVMLPDRXGMGDI-PMERELPUSA-N 0 0 501.546 3.815 1 0 KHAFRN O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ccccc21 ZINC000040901394 562083527 /nfs/dbraw/zinc/08/35/27/562083527.db2.gz XHVMLPDRXGMGDI-SSEXGKCCSA-N 0 0 501.546 3.815 1 0 KHAFRN Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CCC(=O)NCc2ccccc2)C(=O)NCc2ccccc2)c1 ZINC000040913881 562083683 /nfs/dbraw/zinc/08/36/83/562083683.db2.gz HBLFEHMPEVPDOW-QHCPKHFHSA-N 0 0 514.047 3.708 1 0 KHAFRN Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CCC(=O)NCc2ccccc2)C(=O)NCc2ccccc2)c1 ZINC000040913883 562083660 /nfs/dbraw/zinc/08/36/60/562083660.db2.gz HBLFEHMPEVPDOW-HSZRJFAPSA-N 0 0 514.047 3.708 1 0 KHAFRN COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1 ZINC000040914596 562083764 /nfs/dbraw/zinc/08/37/64/562083764.db2.gz BRKDNDQASKSJSQ-UHFFFAOYSA-N 0 0 516.517 3.924 1 0 KHAFRN COc1ccc(CCC(=O)NCC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1 ZINC000040916302 562083977 /nfs/dbraw/zinc/08/39/77/562083977.db2.gz LTKBJSJHKAFSBR-NDEPHWFRSA-N 0 0 506.002 3.992 1 0 KHAFRN COc1ccc(CCC(=O)NCC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 ZINC000040916304 562084009 /nfs/dbraw/zinc/08/40/09/562084009.db2.gz LTKBJSJHKAFSBR-MUUNZHRXSA-N 0 0 506.002 3.992 1 0 KHAFRN O=C([C@@H]1CCc2c(S(=O)(=O)c3ccccc3)cc(OCc3cc(F)cc(F)c3)c(=O)n21)N1CCCC1 ZINC000040917253 562084155 /nfs/dbraw/zinc/08/41/55/562084155.db2.gz UTLKVOKNHJUKSD-QFIPXVFZSA-N 0 0 514.550 3.648 1 0 KHAFRN CC(C)C(=O)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000040919070 562084485 /nfs/dbraw/zinc/08/44/85/562084485.db2.gz PUQHWQFKZDOVQP-UHFFFAOYSA-N 0 0 517.611 4.341 1 0 KHAFRN CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(CCO)CC1 ZINC000040934177 562084704 /nfs/dbraw/zinc/08/47/04/562084704.db2.gz MIQDNGLZJOHMLQ-UHFFFAOYSA-N 0 0 504.418 3.897 1 0 KHAFRN CC(C)(O)CCC(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000040934257 562084690 /nfs/dbraw/zinc/08/46/90/562084690.db2.gz PIGAXYFCLPQWOD-CZCPUGRTSA-N 0 0 516.675 3.843 1 0 KHAFRN CC(C)(O)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000040934258 562084755 /nfs/dbraw/zinc/08/47/55/562084755.db2.gz PIGAXYFCLPQWOD-WHROUUOCSA-N 0 0 516.675 3.843 1 0 KHAFRN CC(C)(O)CCC(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000040934259 562084741 /nfs/dbraw/zinc/08/47/41/562084741.db2.gz PIGAXYFCLPQWOD-QTANBAKISA-N 0 0 516.675 3.843 1 0 KHAFRN CC(C)(O)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000040934260 562084738 /nfs/dbraw/zinc/08/47/38/562084738.db2.gz PIGAXYFCLPQWOD-BROPZWOGSA-N 0 0 516.675 3.843 1 0 KHAFRN CC(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1 ZINC000040934429 562084826 /nfs/dbraw/zinc/08/48/26/562084826.db2.gz RYAPFHFYVVEULH-ADLFWFRXSA-N 0 0 514.051 3.552 1 0 KHAFRN CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)c1ccc(-c2nc(N)sc2-c2ccccc2)o1 ZINC000040934884 562084832 /nfs/dbraw/zinc/08/48/32/562084832.db2.gz KJBMXXYBJVGIBF-GJZGRUSLSA-N 0 0 520.548 3.553 1 0 KHAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O ZINC000040935211 562084979 /nfs/dbraw/zinc/08/49/79/562084979.db2.gz UGLKWJMRDXWSJB-UHFFFAOYSA-N 0 0 520.387 4.203 1 0 KHAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CCCC3)s1)n2CCC(N)=O ZINC000040935511 562085006 /nfs/dbraw/zinc/08/50/06/562085006.db2.gz OWIJSXBEEDGYSD-UHFFFAOYSA-N 0 0 516.627 4.102 1 0 KHAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cocn3)s1)n2CCC(N)=O ZINC000040935526 562084972 /nfs/dbraw/zinc/08/49/72/562084972.db2.gz FKSIZOYGWLPYOT-UHFFFAOYSA-N 0 0 514.567 4.157 1 0 KHAFRN COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000040935557 562084975 /nfs/dbraw/zinc/08/49/75/562084975.db2.gz MQAXROIBCXVIDL-UIOOFZCWSA-N 0 0 514.622 3.819 1 0 KHAFRN COC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000040935559 562084971 /nfs/dbraw/zinc/08/49/71/562084971.db2.gz MQAXROIBCXVIDL-FTJBHMTQSA-N 0 0 514.622 3.819 1 0 KHAFRN CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)o1 ZINC000040935852 562085134 /nfs/dbraw/zinc/08/51/34/562085134.db2.gz LDUPWEGGIPCQSZ-HOTGVXAUSA-N 0 0 528.612 3.862 1 0 KHAFRN CCCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 ZINC000040935854 562085155 /nfs/dbraw/zinc/08/51/55/562085155.db2.gz WVVBYMPYJIJOHE-HOTGVXAUSA-N 0 0 528.612 3.865 1 0 KHAFRN CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(NCC(=O)OC(C)(C)C)NCC(=O)OC(C)(C)C)o1 ZINC000040935968 562085118 /nfs/dbraw/zinc/08/51/18/562085118.db2.gz YKGWFABFPQUGIA-UHFFFAOYSA-N 0 0 528.612 3.865 1 0 KHAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2CCC(N)=O ZINC000040936403 562085223 /nfs/dbraw/zinc/08/52/23/562085223.db2.gz RSJYLNUFSUIOQE-UHFFFAOYSA-N 0 0 514.567 4.157 1 0 KHAFRN CCn1cc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)nn1 ZINC000040937239 562085224 /nfs/dbraw/zinc/08/52/24/562085224.db2.gz CFXJYGMBHGHHPA-UHFFFAOYSA-N 0 0 500.452 3.606 1 0 KHAFRN C[C@@H](NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F ZINC000040937314 562085231 /nfs/dbraw/zinc/08/52/31/562085231.db2.gz OKBSVQKIBXEOCI-LLVKDONJSA-N 0 0 512.895 3.988 1 0 KHAFRN COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040937619 562085408 /nfs/dbraw/zinc/08/54/08/562085408.db2.gz HDOWJYBFOJMBGR-OAQYLSRUSA-N 0 0 529.563 3.766 1 0 KHAFRN COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040937621 562085417 /nfs/dbraw/zinc/08/54/17/562085417.db2.gz HDOWJYBFOJMBGR-NRFANRHFSA-N 0 0 529.563 3.766 1 0 KHAFRN COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040938030 562085379 /nfs/dbraw/zinc/08/53/79/562085379.db2.gz RRLXSIFLLHLJCG-QHCPKHFHSA-N 0 0 504.631 3.919 1 0 KHAFRN COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040938032 562085365 /nfs/dbraw/zinc/08/53/65/562085365.db2.gz RRLXSIFLLHLJCG-HSZRJFAPSA-N 0 0 504.631 3.919 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccccc2OC)CC1 ZINC000040938049 562085433 /nfs/dbraw/zinc/08/54/33/562085433.db2.gz YGGUOFILBDFNBU-OAQYLSRUSA-N 0 0 522.671 3.553 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccccc2OC)CC1 ZINC000040938051 562085361 /nfs/dbraw/zinc/08/53/61/562085361.db2.gz YGGUOFILBDFNBU-NRFANRHFSA-N 0 0 522.671 3.553 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2cccc(N(C)C)c2)CC1 ZINC000040938413 562085533 /nfs/dbraw/zinc/08/55/33/562085533.db2.gz MZPBAHVERCFYQP-HSZRJFAPSA-N 0 0 535.714 3.610 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2cccc(N(C)C)c2)CC1 ZINC000040938415 562085492 /nfs/dbraw/zinc/08/54/92/562085492.db2.gz MZPBAHVERCFYQP-QHCPKHFHSA-N 0 0 535.714 3.610 1 0 KHAFRN COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040938483 562085485 /nfs/dbraw/zinc/08/54/85/562085485.db2.gz BJUFUOFWLFOQRP-HXUWFJFHSA-N 0 0 513.063 3.808 1 0 KHAFRN COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040938485 562085537 /nfs/dbraw/zinc/08/55/37/562085537.db2.gz BJUFUOFWLFOQRP-FQEVSTJZSA-N 0 0 513.063 3.808 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)cc2)CC1 ZINC000040938637 562085508 /nfs/dbraw/zinc/08/55/08/562085508.db2.gz XHAGECLWGNNCOS-JOCHJYFZSA-N 0 0 510.038 3.790 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)cc2)CC1 ZINC000040938639 562085524 /nfs/dbraw/zinc/08/55/24/562085524.db2.gz XHAGECLWGNNCOS-QFIPXVFZSA-N 0 0 510.038 3.790 1 0 KHAFRN O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1cccc(I)c1 ZINC000040938724 562085468 /nfs/dbraw/zinc/08/54/68/562085468.db2.gz AUKCJGDVUGSSLX-UHFFFAOYSA-N 0 0 507.291 3.890 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C)cc2)CC1 ZINC000040939779 562085670 /nfs/dbraw/zinc/08/56/70/562085670.db2.gz YJLVXTSIOVEVBB-JOCHJYFZSA-N 0 0 506.672 3.853 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C)cc2)CC1 ZINC000040939781 562085660 /nfs/dbraw/zinc/08/56/60/562085660.db2.gz YJLVXTSIOVEVBB-QFIPXVFZSA-N 0 0 506.672 3.853 1 0 KHAFRN COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040940243 562085733 /nfs/dbraw/zinc/08/57/33/562085733.db2.gz BGNGCXHNJYHBOE-DEOSSOPVSA-N 0 0 503.647 3.870 1 0 KHAFRN COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040940245 562085748 /nfs/dbraw/zinc/08/57/48/562085748.db2.gz BGNGCXHNJYHBOE-XMMPIXPASA-N 0 0 503.647 3.870 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000040940445 562085802 /nfs/dbraw/zinc/08/58/02/562085802.db2.gz JWLRPSUGOYXQHY-OAQYLSRUSA-N 0 0 511.022 3.839 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000040940447 562085798 /nfs/dbraw/zinc/08/57/98/562085798.db2.gz JWLRPSUGOYXQHY-NRFANRHFSA-N 0 0 511.022 3.839 1 0 KHAFRN COc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)nc3n(CCNC(C)=O)c2=O)cc1 ZINC000040949732 562085925 /nfs/dbraw/zinc/08/59/25/562085925.db2.gz MQCJMILDOYNHBF-UHFFFAOYSA-N 0 0 512.492 3.629 1 0 KHAFRN COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)n4)nc3n(CCNC(C)=O)c2=O)cc1 ZINC000040949734 562085868 /nfs/dbraw/zinc/08/58/68/562085868.db2.gz CZLDEDOBEDQQKS-UHFFFAOYSA-N 0 0 512.492 3.629 1 0 KHAFRN Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(N)=O)c4ccccc43)c(Cl)c2)n1 ZINC000040950070 562085862 /nfs/dbraw/zinc/08/58/62/562085862.db2.gz YFMAYAHNRGYBRU-UYRXBGFRSA-N 0 0 513.932 3.505 1 0 KHAFRN COc1cc(-c2nc(NCc3ccccn3)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000040952353 562086175 /nfs/dbraw/zinc/08/61/75/562086175.db2.gz BDDFGRUDUYYFFC-UHFFFAOYSA-N 0 0 515.570 3.985 1 0 KHAFRN COc1ccc(-c2nc([C@H](CCCCNS(N)(=O)=O)NC(=O)OCc3ccccc3)cs2)cc1 ZINC000040953880 562086377 /nfs/dbraw/zinc/08/63/77/562086377.db2.gz GTGNAUXPRWWJOU-FQEVSTJZSA-N 0 0 504.634 3.750 1 0 KHAFRN COc1ccc(-c2nc3cnc(NCc4ccc(Cl)c(Cl)c4)nc3n(CCNC(C)=O)c2=O)cc1 ZINC000040954911 562086567 /nfs/dbraw/zinc/08/65/67/562086567.db2.gz LKHLISSSJLKIRH-UHFFFAOYSA-N 0 0 513.385 3.917 1 0 KHAFRN COc1cc2nc(N3CCC(N4CCO[C@H](CO)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040972980 562086948 /nfs/dbraw/zinc/08/69/48/562086948.db2.gz JHZGCUVRJZBRDR-FQEVSTJZSA-N 0 0 514.026 3.706 1 0 KHAFRN COc1cc2nc(N3CCC(N4CCO[C@@H](CO)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040972982 562086960 /nfs/dbraw/zinc/08/69/60/562086960.db2.gz JHZGCUVRJZBRDR-HXUWFJFHSA-N 0 0 514.026 3.706 1 0 KHAFRN CC(C)CNC(=O)c1ccc(-c2ccc(/C=C/CO)cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1 ZINC000040974084 562087081 /nfs/dbraw/zinc/08/70/81/562087081.db2.gz RMVFYPMRRGCHJM-ONEGZZNKSA-N 0 0 514.582 3.979 1 0 KHAFRN CS(=O)(=O)c1cc(Nc2nccc(Nc3c4c(ccc3Cl)OCO4)n2)cc(N2CCOCC2)c1 ZINC000040975675 562087205 /nfs/dbraw/zinc/08/72/05/562087205.db2.gz PGOJQQUKXOHEMO-UHFFFAOYSA-N 0 0 503.968 3.586 1 0 KHAFRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2CCc2ccccc2)cc1 ZINC000040980065 562087504 /nfs/dbraw/zinc/08/75/04/562087504.db2.gz HSTFGZAIZHQZFU-UHFFFAOYSA-N 0 0 517.611 3.938 1 0 KHAFRN COc1cc2ncnc(N3CCN(C(=S)Nc4ccc(I)cc4)CC3)c2cc1OC ZINC000042202483 562087540 /nfs/dbraw/zinc/08/75/40/562087540.db2.gz LFOOJYAKEYURQT-UHFFFAOYSA-N 0 0 535.411 3.771 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)N([C@@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803786 562088480 /nfs/dbraw/zinc/08/84/80/562088480.db2.gz QRJJCBBIBWLHCC-WDYNHAJCSA-N 0 0 614.743 3.728 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)N([C@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803791 562088445 /nfs/dbraw/zinc/08/84/45/562088445.db2.gz QRJJCBBIBWLHCC-FQLXRVMXSA-N 0 0 614.743 3.728 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CN2C(=O)N([C@@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803796 562088436 /nfs/dbraw/zinc/08/84/36/562088436.db2.gz QRJJCBBIBWLHCC-VMPREFPWSA-N 0 0 614.743 3.728 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CN2C(=O)N([C@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803801 562088432 /nfs/dbraw/zinc/08/84/32/562088432.db2.gz QRJJCBBIBWLHCC-URLMMPGGSA-N 0 0 614.743 3.728 1 0 KHAFRN CC[C@@]1(OC(=O)[C@@H](C)Oc2cc(C(F)(F)F)ncn2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 ZINC000042804916 562088947 /nfs/dbraw/zinc/08/89/47/562088947.db2.gz QKYZDIWEXPCIAV-ASHKIFAZSA-N 0 0 566.492 3.907 1 0 KHAFRN CC[C@@]1(OC(=O)[C@H](C)Oc2cc(C(F)(F)F)ncn2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 ZINC000042804921 562088923 /nfs/dbraw/zinc/08/89/23/562088923.db2.gz QKYZDIWEXPCIAV-PWFNWSNSSA-N 0 0 566.492 3.907 1 0 KHAFRN O=C1N[C@@H]2c3ccccc3C[C@@H]2OC(=O)c2cccc(c2)C(=O)O[C@H]2Cc3ccccc3[C@H]2NC(=O)c2cccc1n2 ZINC000042805324 562089048 /nfs/dbraw/zinc/08/90/48/562089048.db2.gz DDWUSBNGLJTOQA-QUAHOIDUSA-N 0 0 559.578 3.901 1 0 KHAFRN O=C(Cc1cccc(Cl)c1)NC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccc(Oc3ccccc3)cc2)[C@H](O)[C@@H]1O ZINC000042805570 562089184 /nfs/dbraw/zinc/08/91/84/562089184.db2.gz IVQSHNOUNTVBJQ-GUYMFIDCSA-N 0 0 601.063 3.862 1 0 KHAFRN CC1=C[C@@H]2[C@@H](O)C[C@]34C[C@](O)(Cc5ccc(cc5)O[C@@H]5[C@@H]6[C@@H](C)C[C@@H](C)C[C@@]6(C)[C@H]1[C@H]5[C@H]2C3=O)NC4=O ZINC000042805589 562089268 /nfs/dbraw/zinc/08/92/68/562089268.db2.gz HECJLRHOFZNKOS-ZAYAPDTBSA-N 0 0 505.655 3.646 1 0 KHAFRN CC/C=C/C=C/CC[C@]1(C)C[C@H](O)[C@H](C)CC[C@H]2C[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]3OC)C[C@@](O)(CC(=O)O1)O2 ZINC000042805775 562089264 /nfs/dbraw/zinc/08/92/64/562089264.db2.gz YYWHCGARYFKWST-ATGQZWQESA-N 0 0 584.747 3.550 1 0 KHAFRN CO[C@H]1/C=C\C=C(/C)C(=O)Nc2ccc(O)c(c2)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O ZINC000042851008 581097653 /nfs/dbraw/zinc/09/76/53/581097653.db2.gz FOTHSRVGKSQOSD-XJQIMXLASA-N 0 0 516.635 3.853 1 0 KHAFRN COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)C[NH+]1CCCC1)CC2 ZINC000042876778 581097385 /nfs/dbraw/zinc/09/73/85/581097385.db2.gz QUMKTRJRHYFANK-UHFFFAOYSA-N 0 0 544.591 3.677 1 0 KHAFRN CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)O[C@H](C)[C@H]1O ZINC000042877591 291812870 /nfs/dbraw/zinc/81/28/70/291812870.db2.gz QANVGLGBLJFUIP-KTQVWRAASA-N 0 0 504.620 3.617 1 0 KHAFRN CC(C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000042965023 560085676 /nfs/dbraw/zinc/08/56/76/560085676.db2.gz PEINZJYANJZEKK-JJQUTDJDSA-N 0 0 568.718 3.576 1 0 biogenic,in-vitro KHAFRN CC(C)(C)OC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4c(Cl)nc5sccn54)c3c2)CC1 ZINC000043010965 581095280 /nfs/dbraw/zinc/09/52/80/581095280.db2.gz JKYGLDWVDXTXJE-UHFFFAOYSA-N 0 0 523.040 3.693 1 0 KHAFRN CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C[NH3+])CC3)cc(-c3ccccc3)n2)CC1 ZINC000043021982 562644924 /nfs/dbraw/zinc/64/49/24/562644924.db2.gz BMTMPFRLYSCFFW-NDEPHWFRSA-N 0 0 636.794 3.748 1 0 KHAFRN COc1ccc(Cn2c(=O)c(NCCN3CCOCC3)nc3ccc(-c4ccc(F)c(F)c4)nc32)cc1 ZINC000043023388 562645026 /nfs/dbraw/zinc/64/50/26/562645026.db2.gz GGSBSGUIWFYXMM-UHFFFAOYSA-N 0 0 507.541 3.538 1 0 KHAFRN Nc1nc2c(ncn2COCCO[P@@](=O)(N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)Oc2ccccc2)c(=O)[nH]1 ZINC000043058920 562645052 /nfs/dbraw/zinc/64/50/52/562645052.db2.gz YTNUZDNQIHVRBL-SGXNBDLFSA-N 0 0 618.587 3.824 1 0 KHAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1cccc(CO[N+](=O)[O-])c1)CC2 ZINC000043059016 562645114 /nfs/dbraw/zinc/64/51/14/562645114.db2.gz KYFBWVVAAQJFJX-NRFANRHFSA-N 0 0 536.537 3.874 1 0 KHAFRN CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)cc1Cl ZINC000043063050 562645256 /nfs/dbraw/zinc/64/52/56/562645256.db2.gz BOZLXAAYNNCRCT-UHFFFAOYSA-N 0 0 527.536 3.888 1 0 KHAFRN CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1Cl ZINC000043063408 562645254 /nfs/dbraw/zinc/64/52/54/562645254.db2.gz LLGQLMKPXFEMFY-UHFFFAOYSA-N 0 0 527.536 3.888 1 0 KHAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccccc2CO)c1OC ZINC000043064602 562645274 /nfs/dbraw/zinc/64/52/74/562645274.db2.gz BJVNAOOQMBIJLH-FUVDXTNESA-N 0 0 550.619 3.720 1 0 KHAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccccc2CO)c1OC ZINC000043064608 562645284 /nfs/dbraw/zinc/64/52/84/562645284.db2.gz BJVNAOOQMBIJLH-DVQXHMRTSA-N 0 0 550.619 3.720 1 0 KHAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccc(CO[N+](=O)[O-])cc1)CC2 ZINC000043066676 562645400 /nfs/dbraw/zinc/64/54/00/562645400.db2.gz BYJCWCAPTHLRAT-NRFANRHFSA-N 0 0 536.537 3.874 1 0 KHAFRN COc1cc2c(c(OC)c1OC)-c1ccc(N(C)C)c(=O)cc1[C@@H](NC(=O)c1cccc(CO[N+](=O)[O-])c1)CC2 ZINC000043067518 562645427 /nfs/dbraw/zinc/64/54/27/562645427.db2.gz HJTMCPPOUTYWGD-QFIPXVFZSA-N 0 0 549.580 3.931 1 0 KHAFRN CC(C)CCc1c2ccccc2c(O)c2c1OCN1c3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N=C21 ZINC000043067645 562645414 /nfs/dbraw/zinc/64/54/14/562645414.db2.gz YLRSUZKAZLYVHW-UHFFFAOYSA-N 0 0 515.613 3.811 1 0 KHAFRN CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1 ZINC000043068161 562645454 /nfs/dbraw/zinc/64/54/54/562645454.db2.gz WNAPNFPSJCTVQN-UHFFFAOYSA-N 0 0 527.536 3.888 1 0 KHAFRN CN(CCC[NH+]1CCC(CN2c3ccccc3Sc3ccc(C(=O)[O-])cc32)CC1)c1cc(=O)n(C)c(=O)n1C ZINC000043070308 562645498 /nfs/dbraw/zinc/64/54/98/562645498.db2.gz MMKZIPYPZZNRTO-UHFFFAOYSA-N 0 0 549.697 3.623 1 0 KHAFRN COc1cc2nc(N(C)CCCCCCN(C)C(=O)[C@@H]3COc4ccccc4O3)nc(N)c2cc1OC ZINC000043072813 562645591 /nfs/dbraw/zinc/64/55/91/562645591.db2.gz NXJYLDGTQWINTD-DEOSSOPVSA-N 0 0 509.607 3.524 1 0 KHAFRN COc1cc2nc(N(C)CCCCCCN(C)C(=O)[C@H]3COc4ccccc4O3)nc(N)c2cc1OC ZINC000043072818 562645596 /nfs/dbraw/zinc/64/55/96/562645596.db2.gz NXJYLDGTQWINTD-XMMPIXPASA-N 0 0 509.607 3.524 1 0 KHAFRN CC[C@H](C(=O)[O-])c1ccc2c(c1)N(CCC[N@@H+]1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2 ZINC000043073529 562645611 /nfs/dbraw/zinc/64/56/11/562645611.db2.gz MKKJPIHSAMRGEO-QFIPXVFZSA-N 0 0 563.724 3.867 1 0 KHAFRN CC[C@@H](C(=O)[O-])c1ccc2c(c1)N(CCC[N@@H+]1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2 ZINC000043073532 562645600 /nfs/dbraw/zinc/64/56/00/562645600.db2.gz MKKJPIHSAMRGEO-JOCHJYFZSA-N 0 0 563.724 3.867 1 0 KHAFRN CCN(C[C@@](O)(CNc1nc(C)nc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000043073797 562645631 /nfs/dbraw/zinc/64/56/31/562645631.db2.gz XHBTXVJADQMDTA-QHCPKHFHSA-N 0 0 552.554 3.679 1 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CC(=O)O[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(O)c1-c1ccc(O)cc1 ZINC000043077446 562645739 /nfs/dbraw/zinc/64/57/39/562645739.db2.gz PJBCIDYFSJCFFF-HUUCEWRRSA-N 0 0 540.521 3.766 1 0 KHAFRN CC(=O)O[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(O)c1-c1ccc(O)cc1 ZINC000043077449 291801879 /nfs/dbraw/zinc/80/18/79/291801879.db2.gz PJBCIDYFSJCFFF-GJZGRUSLSA-N 0 0 540.521 3.766 1 0 biogenic,in-vitro KHAFRN CCC(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000043078172 562645738 /nfs/dbraw/zinc/64/57/38/562645738.db2.gz DMUBBDKFBXGVHM-DEOSSOPVSA-N 0 0 539.629 3.919 1 0 KHAFRN Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4Sc4ccc(C(C)(C)C(=O)[O-])cc43)CC2)n(C)c1=O ZINC000043078706 562645796 /nfs/dbraw/zinc/64/57/96/562645796.db2.gz WEFSNJOGTPXLGH-UHFFFAOYSA-N 0 0 563.724 3.651 1 0 KHAFRN CC(=O)Oc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc(OC(C)=O)c1OC(C)=O ZINC000043079536 562645847 /nfs/dbraw/zinc/64/58/47/562645847.db2.gz FYXZLOHZHPLDJU-UHFFFAOYSA-N 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DTPCIABSJKTYIF-DNVCBOLYSA-N 0 0 551.516 3.692 1 0 KHAFRN CC[C@@H](c1nnc(SCCN2CCN(c3ccccc3OC)CC2)o1)S(=O)(=O)c1ccccc1 ZINC000043130890 562646292 /nfs/dbraw/zinc/64/62/92/562646292.db2.gz HEGZPIULVFHESZ-QFIPXVFZSA-N 0 0 502.662 3.918 1 0 KHAFRN CC[C@H](c1nnc(SCCN2CCN(c3ccccc3OC)CC2)o1)S(=O)(=O)c1ccccc1 ZINC000043130892 562646291 /nfs/dbraw/zinc/64/62/91/562646291.db2.gz HEGZPIULVFHESZ-JOCHJYFZSA-N 0 0 502.662 3.918 1 0 KHAFRN O=C(CN1CCOCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000043132747 562646362 /nfs/dbraw/zinc/64/63/62/562646362.db2.gz UUXGKZNZTPLDMM-UHFFFAOYSA-N 0 0 555.660 3.837 1 0 KHAFRN CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cn1 ZINC000043133560 562646340 /nfs/dbraw/zinc/64/63/40/562646340.db2.gz XFTABBDNRWFISL-UHFFFAOYSA-N 0 0 596.653 3.582 1 0 KHAFRN CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(CC)ccc3-4)ncn1-2 ZINC000043153711 562646493 /nfs/dbraw/zinc/64/64/93/562646493.db2.gz AOQOJIJLIFNFFB-UHFFFAOYSA-N 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NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000043177898 562646669 /nfs/dbraw/zinc/64/66/69/562646669.db2.gz MXVZQFQXUZRZIR-KBPBESRZSA-N 0 0 502.807 3.848 1 0 KHAFRN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000043177900 562646652 /nfs/dbraw/zinc/64/66/52/562646652.db2.gz MXVZQFQXUZRZIR-ZIAGYGMSSA-N 0 0 502.807 3.848 1 0 KHAFRN NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000043177902 562646662 /nfs/dbraw/zinc/64/66/62/562646662.db2.gz MXVZQFQXUZRZIR-UONOGXRCSA-N 0 0 502.807 3.848 1 0 KHAFRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000043194047 562646672 /nfs/dbraw/zinc/64/66/72/562646672.db2.gz GJGRAMGTQURCNW-UHFFFAOYSA-N 0 0 538.466 3.586 1 0 KHAFRN Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC13CC(C1)C3)C2 ZINC000043197654 562646829 /nfs/dbraw/zinc/64/68/29/562646829.db2.gz CLFXZSRJZJUGCL-UHFFFAOYSA-N 0 0 500.390 3.886 1 0 KHAFRN 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/nfs/dbraw/zinc/64/72/31/562647231.db2.gz MEVBGKDSBORGRF-UNFRKHOWSA-N 0 0 631.730 3.690 1 0 KHAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@](C)(O)/C=C\c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000043322507 562647666 /nfs/dbraw/zinc/64/76/66/562647666.db2.gz VPBLLSQCGFJMNJ-ZETNYVMUSA-N 0 0 606.716 3.523 1 0 KHAFRN O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C1CCCCC1)N1CCC(CCF)CC1 ZINC000043322545 562647688 /nfs/dbraw/zinc/64/76/88/562647688.db2.gz NOAUBUGVIWMDLR-LSYYVWMOSA-N 0 0 560.736 3.923 1 0 KHAFRN CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@@H](C)[C@@H]1O ZINC000043335379 560085606 /nfs/dbraw/zinc/08/56/06/560085606.db2.gz JLPDBLFIVFSOCC-TUIPBMQVSA-N 0 0 576.727 3.681 1 0 biogenic,in-vitro KHAFRN CCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@@H]2[C@H]3[C@H](Br)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000043381950 562648139 /nfs/dbraw/zinc/64/81/39/562648139.db2.gz XHYCAJKJMNDVLF-PJOMNOOBSA-N 0 0 551.474 3.709 1 0 KHAFRN CCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@@H]2[C@H]3[C@H](I)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000043381954 562648151 /nfs/dbraw/zinc/64/81/51/562648151.db2.gz MMVCEKOYUBNUHB-PJOMNOOBSA-N 0 0 598.474 3.749 1 0 KHAFRN CCC(=O)O[C@]1(C(=O)COC(C)=O)[C@H](C)C[C@@H]2[C@H]3[C@H](Br)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000043382178 562648171 /nfs/dbraw/zinc/64/81/71/562648171.db2.gz XHYCAJKJMNDVLF-ODTPOVPGSA-N 0 0 551.474 3.709 1 0 KHAFRN CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)CO ZINC000043523609 562648847 /nfs/dbraw/zinc/64/88/47/562648847.db2.gz RKVZHOULZWPCKC-PBLIYICDSA-N 0 0 541.770 3.952 1 0 KHAFRN CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C1\CCCN(Cc2ccccc2)S1(=O)=O)Cc1ccccc1 ZINC000043531685 562649138 /nfs/dbraw/zinc/64/91/38/562649138.db2.gz OLEUBNPFDDNSAG-XSGIUVKDSA-N 0 0 582.767 3.680 1 0 KHAFRN 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0 0 593.765 3.843 1 0 KHAFRN CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 ZINC000044350899 562654420 /nfs/dbraw/zinc/65/44/20/562654420.db2.gz NOMHNUFAKKUFFP-GGCFSWKVSA-N 0 0 629.758 3.973 1 0 KHAFRN CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(C[C@H](C)C(C)(C)O6)[C@](C)(O)[C@@H]5[C@@]4(C)C[C@H](O)[C@@H]32)C[C@@H]1O ZINC000044350973 562654446 /nfs/dbraw/zinc/65/44/46/562654446.db2.gz HRJBSUKSBJIMML-DVPIGBGPSA-N 0 0 520.707 3.810 1 0 KHAFRN CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CS(=O)(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O ZINC000044351071 562654431 /nfs/dbraw/zinc/65/44/31/562654431.db2.gz JKXHCHABOHZRIC-UHFFFAOYSA-N 0 0 542.565 3.502 1 0 KHAFRN CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 ZINC000044351117 562654477 /nfs/dbraw/zinc/65/44/77/562654477.db2.gz BKDGLTMSFYSIAO-RTOKGZNSSA-N 0 0 623.729 3.912 1 0 KHAFRN CC(=O)OC[C@H]1O[C@@H](Oc2c(O)c(-c3ccccc3)c(O)cc2-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000044351139 562654494 /nfs/dbraw/zinc/65/44/94/562654494.db2.gz XOEGZOGGXVNNAA-IQLKFJAHSA-N 0 0 608.596 3.894 1 0 KHAFRN CC1=CC[C@@H]([C@@H](C)[C@@H]2CC[C@]3(O)[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@@]65C[C@@]4(O)CC[C@]23C)OC1=O ZINC000044351311 562654605 /nfs/dbraw/zinc/65/46/05/562654605.db2.gz UCYIJPSZTKEWLZ-CAQIMXKKSA-N 0 0 502.648 3.836 1 0 KHAFRN CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000044351404 562654705 /nfs/dbraw/zinc/65/47/05/562654705.db2.gz KAPQKCUDPVRZEX-ZGIPRAPUSA-N 0 0 578.658 3.858 1 0 KHAFRN COC(=O)c1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000044351444 562654690 /nfs/dbraw/zinc/65/46/90/562654690.db2.gz NUHKUCXFRBYDTA-UHFFFAOYSA-N 0 0 522.505 3.715 1 0 KHAFRN CC(=O)O[C@H](C)[C@H]1/C=C\C=C/C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)/C=C(/C)CCO1)[C@]2(C)[C@]31CO1 ZINC000044351462 562654701 /nfs/dbraw/zinc/65/47/01/562654701.db2.gz UMMRHXXIVGSHOW-JOAVBITDSA-N 0 0 556.652 3.914 1 0 KHAFRN CCCC[C@H]([NH3+])C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC000044351875 562654921 /nfs/dbraw/zinc/65/49/21/562654921.db2.gz WHIURHWGVIUMOD-KYJUHHDHSA-N 0 0 600.716 3.987 1 0 KHAFRN COc1cccc(-c2cn(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H]([NH2+]CCCC(=O)[O-])c3ccccc3)c2=O)c1F ZINC000044352107 562654997 /nfs/dbraw/zinc/65/49/97/562654997.db2.gz JELUMXNSIYVRCU-VWLOTQADSA-N 0 0 627.666 3.611 1 0 KHAFRN CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 ZINC000044352265 562655106 /nfs/dbraw/zinc/65/51/06/562655106.db2.gz JUZSSTZMGZLRNQ-XMMPIXPASA-N 0 0 549.543 3.939 1 0 KHAFRN CCN(Cc1cc(C)n(C)n1)C(=O)CN(c1cc(N(C)C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000044352624 562655222 /nfs/dbraw/zinc/65/52/22/562655222.db2.gz TZDJMSJKPHUEKP-UHFFFAOYSA-N 0 0 564.108 3.709 1 0 KHAFRN O=C1N[C@@H]2c3ccccc3C[C@@H]2OC(=O)c2cccc(n2)C(=O)O[C@H]2Cc3ccccc3[C@H]2NC(=O)c2cccc1c2 ZINC000044352635 562655221 /nfs/dbraw/zinc/65/52/21/562655221.db2.gz LUAYFJGFQXEDKI-QUAHOIDUSA-N 0 0 559.578 3.901 1 0 KHAFRN CO[C@@H](C(=O)N[C@H]1CC[C@H](OC(=O)CCCCCCCCCCCC(C)C)CNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000044358180 562655268 /nfs/dbraw/zinc/65/52/68/562655268.db2.gz UOYYVGZKHDRMEE-RDKMJLGKSA-N 0 0 598.822 3.550 1 0 KHAFRN CCCC(=O)OC[C@H]1O[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC ZINC000044358190 562655282 /nfs/dbraw/zinc/65/52/82/562655282.db2.gz URBLVNWOCAGFPV-LIUWUWKXSA-N 0 0 530.611 3.534 1 0 KHAFRN CCCC(=O)OC[C@H]1O[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC ZINC000044358195 562655263 /nfs/dbraw/zinc/65/52/63/562655263.db2.gz URBLVNWOCAGFPV-UXFYBFLWSA-N 0 0 530.611 3.534 1 0 KHAFRN O=Cc1ccc(O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000044358643 562655345 /nfs/dbraw/zinc/65/53/45/562655345.db2.gz PUHDWFZTHWZIBK-JQWMYKLHSA-N 0 0 526.585 3.694 1 0 KHAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5S(C)(=O)=O)CC4)cc2)CC3)cc1 ZINC000044359373 562655473 /nfs/dbraw/zinc/65/54/73/562655473.db2.gz WGQQSFKKCIMTBD-UHFFFAOYSA-N 0 0 573.597 3.808 1 0 KHAFRN CC1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]23C[C@@H]1OC3=O ZINC000044359537 562655485 /nfs/dbraw/zinc/65/54/85/562655485.db2.gz VIAAIAAZKPRCJO-AUNCNNHTSA-N 0 0 502.692 3.598 1 0 KHAFRN O=C1N[C@@H]2c3ccccc3C[C@@H]2OC(=O)c2ccc(s2)C(=O)O[C@H]2Cc3ccccc3[C@H]2NC(=O)c2cccc1n2 ZINC000044359868 562655539 /nfs/dbraw/zinc/65/55/39/562655539.db2.gz GDGKSQZEJZGZEM-KEKSMWEKSA-N 0 0 565.607 3.962 1 0 KHAFRN COC(=O)C[C@@H]1C(=O)C[C@H]2[C@H]([C@H]1C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000044359930 562655571 /nfs/dbraw/zinc/65/55/71/562655571.db2.gz QDVSQQYDMLUPGR-OFYFIDOVSA-N 0 0 512.643 3.954 1 0 KHAFRN CO[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(C5=CC(=O)OC5)=CC[C@]43O)C2)O[C@H](C)[C@H](O)[C@@H]1OC ZINC000044360365 562655579 /nfs/dbraw/zinc/65/55/79/562655579.db2.gz RICACBKPZFLFFK-VFBKJSQWSA-N 0 0 546.701 3.684 1 0 KHAFRN CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000044361201 562655717 /nfs/dbraw/zinc/65/57/17/562655717.db2.gz AOYQNSAQRCGHJH-AOLGGSBGSA-N 0 0 540.682 3.840 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC)[C@@H](COC(C)=O)[C@H]2COC(C)=O)OCO4)cc(OC)c1OC ZINC000044361630 562655773 /nfs/dbraw/zinc/65/57/73/562655773.db2.gz TVGDMYCAOBDLQI-VCGCKCOWSA-N 0 0 516.543 3.633 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@@H](COC(C)=O)[C@H]2COC(C)=O)OCO4)cc(OC)c1OC ZINC000044361750 562655743 /nfs/dbraw/zinc/65/57/43/562655743.db2.gz TVGDMYCAOBDLQI-KYVQNOJUSA-N 0 0 516.543 3.633 1 0 KHAFRN COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2C(=O)NCCOc2ccccc2)c(OC)n1 ZINC000044362013 562655785 /nfs/dbraw/zinc/65/57/85/562655785.db2.gz ACUIVHWRXISZPQ-UHFFFAOYSA-N 0 0 529.553 3.705 1 0 KHAFRN CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044362286 562655860 /nfs/dbraw/zinc/65/58/60/562655860.db2.gz GNZXXRFDKOJBFR-LOSJGSFVSA-N 0 0 545.727 3.791 1 0 KHAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000044386396 562655909 /nfs/dbraw/zinc/65/59/09/562655909.db2.gz XBIGEWVREAYQBP-WUFINQPMSA-N 0 0 540.682 3.984 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@@H](COC(C)=O)[C@@H]2COC(C)=O)OCO4)cc(OC)c1OC ZINC000044386487 562655871 /nfs/dbraw/zinc/65/58/71/562655871.db2.gz TVGDMYCAOBDLQI-JZKJUIAGSA-N 0 0 516.543 3.633 1 0 KHAFRN COC(=O)[C@@]12CC[C@@]3(C)[C@@H]4C=CC(=O)OC[C@]4([C@@H](C)O)C[C@@H](O)[C@@H]3[C@@]1(C)CC[C@@]1(C)CCC(C)=C[C@]12O ZINC000044386529 562655919 /nfs/dbraw/zinc/65/59/19/562655919.db2.gz KBMOWKVFQHQUFB-NHBPQBDCSA-N 0 0 516.675 3.701 1 0 KHAFRN O=C1CS[C@@H](c2ccc(O)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000044386641 562655938 /nfs/dbraw/zinc/65/59/38/562655938.db2.gz HLOHDPVTNZSACU-DEOSSOPVSA-N 0 0 530.591 3.750 1 0 KHAFRN O=C1CS[C@H](c2ccc(O)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O ZINC000044386644 562655965 /nfs/dbraw/zinc/65/59/65/562655965.db2.gz HLOHDPVTNZSACU-XMMPIXPASA-N 0 0 530.591 3.750 1 0 KHAFRN CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 ZINC000044386902 562655986 /nfs/dbraw/zinc/65/59/86/562655986.db2.gz NVXVBSBXBTZZNU-RTOKGZNSSA-N 0 0 623.729 3.912 1 0 KHAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)S(C)(=O)=O)CC4)cc2)CC3)cc1 ZINC000044387345 562656122 /nfs/dbraw/zinc/65/61/22/562656122.db2.gz UFFAFMJJDSVKNS-UHFFFAOYSA-N 0 0 534.560 3.983 1 0 KHAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2cccc(N3CCOCC3)n2)CC1 ZINC000044387354 562656131 /nfs/dbraw/zinc/65/61/31/562656131.db2.gz XYFQZOPGLUMAFF-UHFFFAOYSA-N 0 0 555.528 3.728 1 0 KHAFRN COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000044387400 562656094 /nfs/dbraw/zinc/65/60/94/562656094.db2.gz HJWMGWLIOBSHCF-SFHVURJKSA-N 0 0 576.119 3.774 1 0 KHAFRN COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000044387403 562656108 /nfs/dbraw/zinc/65/61/08/562656108.db2.gz HJWMGWLIOBSHCF-GOSISDBHSA-N 0 0 576.119 3.774 1 0 KHAFRN CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc4c(c2cc1C3)CN(c1ccc(F)c(F)c1F)CO4 ZINC000044387547 562656170 /nfs/dbraw/zinc/65/61/70/562656170.db2.gz WDNQSYZAYAIIMQ-NDEPHWFRSA-N 0 0 535.478 3.853 1 0 KHAFRN COCCO[P@](=O)(NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000044404567 562656471 /nfs/dbraw/zinc/65/64/71/562656471.db2.gz DQTDPHSESCOVLD-WILUNINASA-N 0 0 559.597 3.941 1 0 KHAFRN COCCO[P@](=O)(NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H](C)NC(=O)OCc1ccccc1 ZINC000044404571 562656470 /nfs/dbraw/zinc/65/64/70/562656470.db2.gz DQTDPHSESCOVLD-SCTMPGDFSA-N 0 0 559.597 3.941 1 0 KHAFRN COCCO[P@@](=O)(NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000044404575 562656452 /nfs/dbraw/zinc/65/64/52/562656452.db2.gz DQTDPHSESCOVLD-HHJQEOGPSA-N 0 0 559.597 3.941 1 0 KHAFRN COCCO[P@@](=O)(NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H](C)NC(=O)OCc1ccccc1 ZINC000044404579 562656479 /nfs/dbraw/zinc/65/64/79/562656479.db2.gz DQTDPHSESCOVLD-KLOWVBPASA-N 0 0 559.597 3.941 1 0 KHAFRN COc1ccc(-c2coc3c(cc(OC)c4c3O[C@H](CO)[C@@H](c3cc(OC)c(O)c(OC)c3)O4)c2=O)cc1O ZINC000044404649 562656516 /nfs/dbraw/zinc/65/65/16/562656516.db2.gz PDFRGLKIUUWXHS-RCZVLFRGSA-N 0 0 538.505 3.779 1 0 KHAFRN COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000044404688 562656498 /nfs/dbraw/zinc/65/64/98/562656498.db2.gz JOFJXWXVPFAZPK-XULWGOJYSA-N 0 0 528.642 3.973 1 0 KHAFRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc1OCC)[nH]c2=O ZINC000044404827 562656509 /nfs/dbraw/zinc/65/65/09/562656509.db2.gz DIVIXKVYEIPDME-UHFFFAOYSA-N 0 0 571.103 3.839 1 0 KHAFRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc1OCC)[nH]c2=O ZINC000044404839 562656565 /nfs/dbraw/zinc/65/65/65/562656565.db2.gz CZMZPQRUIMXCKY-UHFFFAOYSA-N 0 0 571.103 3.839 1 0 KHAFRN CC[C@@]1(OC(=O)COc2cc(C(F)(F)F)ncn2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 ZINC000044405183 562656612 /nfs/dbraw/zinc/65/66/12/562656612.db2.gz RHYWDNNNJZDGJO-SANMLTNESA-N 0 0 552.465 3.518 1 0 KHAFRN Cc1ccc(S(=O)(=O)NCCN(CCNC(=S)Nc2ccc(Cl)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044405595 562656680 /nfs/dbraw/zinc/65/66/80/562656680.db2.gz CHNVYTAZFFBQEW-UHFFFAOYSA-N 0 0 624.254 3.502 1 0 KHAFRN Cn1c(=O)c2c(nn(Cc3ccnc4ccc(Cl)cc34)c2-c2oc(S(C)(=O)=O)cc2Cl)n(CC2CC2)c1=O ZINC000044416759 562656995 /nfs/dbraw/zinc/65/69/95/562656995.db2.gz GBLUNAZCSSKSEV-UHFFFAOYSA-N 0 0 574.446 3.874 1 0 KHAFRN Cc1oc(S(C)(=O)=O)cc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C)c2=O ZINC000044416762 562656998 /nfs/dbraw/zinc/65/69/98/562656998.db2.gz FPPJYOIKKDWUOJ-UHFFFAOYSA-N 0 0 554.028 3.529 1 0 KHAFRN CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(NC(=O)NCCc3ccccc3)cc2)S(=O)(=O)N1C ZINC000044416819 562656963 /nfs/dbraw/zinc/65/69/63/562656963.db2.gz UAHMZGCHVQATGI-XZOQPEGZSA-N 0 0 562.714 3.610 1 0 KHAFRN CCC[C@H]1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(NC(=O)NCCc3ccccc3)cc2)S(=O)(=O)N1C ZINC000044416823 562656945 /nfs/dbraw/zinc/65/69/45/562656945.db2.gz UAHMZGCHVQATGI-GOTSBHOMSA-N 0 0 562.714 3.610 1 0 KHAFRN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H]1CCCNCC1=O ZINC000044417070 562657038 /nfs/dbraw/zinc/65/70/38/562657038.db2.gz LYGUZPXHKFFQKE-GPXNEJASSA-N 0 0 571.637 3.894 1 0 KHAFRN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H]1CCCNCC1=O ZINC000044417074 562657062 /nfs/dbraw/zinc/65/70/62/562657062.db2.gz LYGUZPXHKFFQKE-FIXSFTCYSA-N 0 0 571.637 3.894 1 0 KHAFRN COc1cc([C@H](OC(C)=O)[C@H]2CO[C@H](c3ccc(OC(C)=O)c(OC)c3)[C@H]2COC(C)=O)ccc1OC(C)=O ZINC000044417721 562657149 /nfs/dbraw/zinc/65/71/49/562657149.db2.gz PZASANOTPOOFGF-VPCISXJNSA-N 0 0 544.553 3.726 1 0 KHAFRN CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000044418406 562657281 /nfs/dbraw/zinc/65/72/81/562657281.db2.gz ZTAFLDIJAATCDC-AYRHNUGRSA-N 0 0 555.697 3.727 1 0 KHAFRN COc1cc(-c2nc(N[C@@H](CO)Cc3ccccc3)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000044418558 562657278 /nfs/dbraw/zinc/65/72/78/562657278.db2.gz XYWFFBKDRAMPBZ-HSZRJFAPSA-N 0 0 558.635 3.994 1 0 KHAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)C)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044418683 562657355 /nfs/dbraw/zinc/65/73/55/562657355.db2.gz SPKXREGBUTVOGY-GSLIJJQTSA-N 0 0 547.743 3.583 1 0 KHAFRN CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000044418749 562657318 /nfs/dbraw/zinc/65/73/18/562657318.db2.gz GMZOWRNWXUOCCS-AYRHNUGRSA-N 0 0 555.697 3.560 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C(\C)C(F)(F)F)cc1 ZINC000044418813 562657362 /nfs/dbraw/zinc/65/73/62/562657362.db2.gz YRHITVXBVIHFSC-TVKFJPDASA-N 0 0 542.620 3.939 1 0 KHAFRN CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1 ZINC000044418912 562657381 /nfs/dbraw/zinc/65/73/81/562657381.db2.gz QIZMDQBBKHFWJF-LLZJGCNPSA-N 0 0 555.697 3.727 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)c1ccnnc1 ZINC000044430334 562657485 /nfs/dbraw/zinc/65/74/85/562657485.db2.gz HCLAELVOEYSAAM-BJKOFHAPSA-N 0 0 576.622 3.549 1 0 KHAFRN CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)NC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000044430411 562657508 /nfs/dbraw/zinc/65/75/08/562657508.db2.gz WBPYJSSVYPJIFA-PAXLWEDBSA-N 0 0 571.147 3.878 1 0 KHAFRN CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044430478 562657536 /nfs/dbraw/zinc/65/75/36/562657536.db2.gz WSHIZLGPQOOYBL-UTPIKVEBSA-N 0 0 588.796 3.582 1 0 KHAFRN NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000044430591 562657554 /nfs/dbraw/zinc/65/75/54/562657554.db2.gz ORIBHNNMIXHHJW-IBGZPJMESA-N 0 0 552.078 3.660 1 0 KHAFRN CNCC(=O)OCn1cc(CCNc2ncnc3ccsc32)s/c1=N\C(=O)Nc1cccc(Cl)c1 ZINC000044430621 562657614 /nfs/dbraw/zinc/65/76/14/562657614.db2.gz OBEBHJNAXADPEG-IADYIPOJSA-N 0 0 532.051 3.715 1 0 KHAFRN CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000044430625 562657590 /nfs/dbraw/zinc/65/75/90/562657590.db2.gz KWAXBPZYRPIOSA-ZKMPZPQNSA-N 0 0 559.660 3.558 1 0 KHAFRN NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000044430688 562657617 /nfs/dbraw/zinc/65/76/17/562657617.db2.gz TVACPPPZSYJRFO-IBGZPJMESA-N 0 0 552.078 3.660 1 0 KHAFRN COc1cc(C[C@@H]2[C@@H]([C@H](OC(C)=O)c3ccc(OC(C)=O)c(OC)c3)CO[C@H]2OC(C)=O)ccc1OC(C)=O ZINC000044430811 562657662 /nfs/dbraw/zinc/65/76/62/562657662.db2.gz IGMJFRNDINWZPK-ONUYUPGPSA-N 0 0 544.553 3.553 1 0 KHAFRN CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000044430812 562657700 /nfs/dbraw/zinc/65/77/00/562657700.db2.gz LWRWPGKGEKCHCZ-ZKMPZPQNSA-N 0 0 559.660 3.558 1 0 KHAFRN CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc(F)cc1Cl ZINC000044430873 562657699 /nfs/dbraw/zinc/65/76/99/562657699.db2.gz HGNBQILCQVDXBU-QFIPXVFZSA-N 0 0 545.896 3.572 1 0 KHAFRN CCN(C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc(F)cc1Cl ZINC000044430875 562657696 /nfs/dbraw/zinc/65/76/96/562657696.db2.gz HGNBQILCQVDXBU-JOCHJYFZSA-N 0 0 545.896 3.572 1 0 KHAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)CC)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044431172 562657762 /nfs/dbraw/zinc/65/77/62/562657762.db2.gz GEKBHIBDOXRWQG-GVXSCFBNSA-N 0 0 547.743 3.727 1 0 KHAFRN CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)CC)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044431351 562657851 /nfs/dbraw/zinc/65/78/51/562657851.db2.gz UNYOWDKIKKFVBX-PLUJKLCDSA-N 0 0 547.743 3.583 1 0 KHAFRN COc1cc(C[C@H](CO)Oc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(O)c(OC)c3)cc2OC)ccc1O ZINC000044431503 562657877 /nfs/dbraw/zinc/65/78/77/562657877.db2.gz LNRPGGVISCJEIP-YTFSRNRJSA-N 0 0 538.593 3.680 1 0 KHAFRN COC(=O)[C@H]1CCN(c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C(F)(F)F)C[C@H]3C)c2)C1 ZINC000044431576 562657881 /nfs/dbraw/zinc/65/78/81/562657881.db2.gz WIAOEHXPHMNOKO-SJORKVTESA-N 0 0 529.556 3.743 1 0 KHAFRN CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C(C)(C)NC(C)=O)C1 ZINC000044460280 562657967 /nfs/dbraw/zinc/65/79/67/562657967.db2.gz NGUMIHCAWWHVPZ-MTKOPPBXSA-N 0 0 501.712 3.738 1 0 in-vitro KHAFRN COc1cc(Nc2nccc(N3CC[C@@H](NC(=O)Nc4cccc(C(C)=O)c4)C3)n2)cc(OC)c1OC ZINC000045189467 562658383 /nfs/dbraw/zinc/65/83/83/562658383.db2.gz FHPPXPQIIDRCLD-LJQANCHMSA-N 0 0 506.563 3.849 1 0 KHAFRN COc1cc(Nc2nccc(N3CC[C@H](NC(=O)Nc4cccc(C(C)=O)c4)C3)n2)cc(OC)c1OC ZINC000045189470 562658392 /nfs/dbraw/zinc/65/83/92/562658392.db2.gz FHPPXPQIIDRCLD-IBGZPJMESA-N 0 0 506.563 3.849 1 0 KHAFRN COc1ccccc1N1CCN([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCCCO3)CC1 ZINC000045190516 562658508 /nfs/dbraw/zinc/65/85/08/562658508.db2.gz DZJUDOZCQODPBZ-LJAQVGFWSA-N 0 0 531.609 3.765 1 0 KHAFRN COc1ccccc1N1CCN([C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCCCO3)CC1 ZINC000045190520 562658536 /nfs/dbraw/zinc/65/85/36/562658536.db2.gz DZJUDOZCQODPBZ-GDLZYMKVSA-N 0 0 531.609 3.765 1 0 KHAFRN CS(=O)(=O)Cc1ccc(Nc2nccc(NC3CCN(c4nccc(C(F)(F)F)n4)CC3)n2)cc1 ZINC000045190982 562658498 /nfs/dbraw/zinc/65/84/98/562658498.db2.gz CTSWFNNCNJDHCP-UHFFFAOYSA-N 0 0 507.542 3.655 1 0 KHAFRN Cc1nnnn1-c1ccc(C(=O)N2CCC3(CN(Cc4ccc(Cl)c(Cl)c4)C(=O)O3)CC2)cc1 ZINC000045195219 562658869 /nfs/dbraw/zinc/65/88/69/562658869.db2.gz NVHVXKWLQWHNCQ-UHFFFAOYSA-N 0 0 501.374 3.905 1 0 KHAFRN CS(=O)(=O)c1ccc(Nc2ncc(-c3ccc(S(C)(=O)=O)cc3)c(OCC(F)(F)F)n2)cc1 ZINC000045201997 562659094 /nfs/dbraw/zinc/65/90/94/562659094.db2.gz JIAMRANUMNMXQV-UHFFFAOYSA-N 0 0 501.508 3.635 1 0 KHAFRN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1 ZINC000045210228 562659276 /nfs/dbraw/zinc/65/92/76/562659276.db2.gz XWYIYLRUUKZQCD-OAHLLOKOSA-N 0 0 512.887 3.667 1 0 KHAFRN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1 ZINC000045210232 562659286 /nfs/dbraw/zinc/65/92/86/562659286.db2.gz XWYIYLRUUKZQCD-HNNXBMFYSA-N 0 0 512.887 3.667 1 0 KHAFRN COc1cc2nc(N3CCC(CNC(=O)c4ccc(OC(F)(F)F)cc4)CC3)nc(N)c2cc1OC ZINC000045229196 562659570 /nfs/dbraw/zinc/65/95/70/562659570.db2.gz OAXLTZMILNBFGA-UHFFFAOYSA-N 0 0 505.497 3.774 1 0 KHAFRN CCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2[C@@]2(N1)c1ccccc1N(Cc1cccc(OC)c1)C2=O ZINC000045229896 562659549 /nfs/dbraw/zinc/65/95/49/562659549.db2.gz RPKWOMLQDVDHKC-NGQVCNFZSA-N 0 0 515.610 3.543 1 0 KHAFRN CCCNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2[C@@]2(N1)c1ccccc1N(Cc1cccc(OC)c1)C2=O ZINC000045229901 562659565 /nfs/dbraw/zinc/65/95/65/562659565.db2.gz RPKWOMLQDVDHKC-HLADLETHSA-N 0 0 515.610 3.543 1 0 KHAFRN CCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2[C@]2(N1)c1ccccc1N(Cc1cccc(OC)c1)C2=O ZINC000045229905 562659588 /nfs/dbraw/zinc/65/95/88/562659588.db2.gz RPKWOMLQDVDHKC-QABMSTFYSA-N 0 0 515.610 3.543 1 0 KHAFRN CCCNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2[C@]2(N1)c1ccccc1N(Cc1cccc(OC)c1)C2=O ZINC000045229910 562659578 /nfs/dbraw/zinc/65/95/78/562659578.db2.gz RPKWOMLQDVDHKC-AYWVHJORSA-N 0 0 515.610 3.543 1 0 KHAFRN CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(N(C)C)nc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000045245199 562659700 /nfs/dbraw/zinc/65/97/00/562659700.db2.gz ZRLCNRCZZGRZFX-OYRHEFFESA-N 0 0 513.606 3.986 1 0 KHAFRN Cc1cc(C)cc(NC(=O)N2CCC3(CCN(C(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)C3)CC2)c1 ZINC000045254159 562659823 /nfs/dbraw/zinc/65/98/23/562659823.db2.gz KHCROCKNOFXVAC-FIXSFTCYSA-N 0 0 513.708 3.876 1 0 KHAFRN Cc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)n1 ZINC000045254519 562659886 /nfs/dbraw/zinc/65/98/86/562659886.db2.gz SZDVWIIFADNVIV-UHFFFAOYSA-N 0 0 501.612 3.680 1 0 KHAFRN C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C ZINC000045259683 562659981 /nfs/dbraw/zinc/65/99/81/562659981.db2.gz FANGZAFTWQLKPE-RXAIFQJESA-N 0 0 512.557 3.558 1 0 KHAFRN COc1ccc(-n2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1 ZINC000045261934 562660028 /nfs/dbraw/zinc/66/00/28/562660028.db2.gz UQQZLMXUYGQJIW-UHFFFAOYSA-N 0 0 503.434 3.915 1 0 KHAFRN O=C(NN1C(=O)CS[C@@H]1c1ccccc1)c1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2)cc1 ZINC000045283700 562660070 /nfs/dbraw/zinc/66/00/70/562660070.db2.gz AKYJJMKBIHLRGN-WMPKNSHKSA-N 0 0 518.620 3.525 1 0 KHAFRN O=C(NN1C(=O)CS[C@H]1c1ccccc1)c1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2)cc1 ZINC000045283702 562660071 /nfs/dbraw/zinc/66/00/71/562660071.db2.gz AKYJJMKBIHLRGN-UIOOFZCWSA-N 0 0 518.620 3.525 1 0 KHAFRN O=C(NN1C(=O)CS[C@@H]1c1ccccc1)c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2)cc1 ZINC000045283703 562660124 /nfs/dbraw/zinc/66/01/24/562660124.db2.gz AKYJJMKBIHLRGN-CLJLJLNGSA-N 0 0 518.620 3.525 1 0 KHAFRN COc1ccc(-n2cc(CCCC(=O)NCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1 ZINC000045285785 562660159 /nfs/dbraw/zinc/66/01/59/562660159.db2.gz LQCYZRIMQQNBAQ-UHFFFAOYSA-N 0 0 517.461 3.844 1 0 KHAFRN CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(Cl)c3)C(=O)C(C)(C)C)cc1C2 ZINC000045286572 562660218 /nfs/dbraw/zinc/66/02/18/562660218.db2.gz XULYBQSTNDQXHG-SANMLTNESA-N 0 0 514.985 3.512 1 0 KHAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CN2CCO[C@H](CCO)C2)c1 ZINC000045289037 562660302 /nfs/dbraw/zinc/66/03/02/562660302.db2.gz HVOVKOQWHTYVGN-MRXNPFEDSA-N 0 0 514.429 3.639 1 0 KHAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CN2CCO[C@@H](CCO)C2)c1 ZINC000045289041 562660312 /nfs/dbraw/zinc/66/03/12/562660312.db2.gz HVOVKOQWHTYVGN-INIZCTEOSA-N 0 0 514.429 3.639 1 0 KHAFRN COC[C@@H]1CN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)CCO1 ZINC000045289919 562660287 /nfs/dbraw/zinc/66/02/87/562660287.db2.gz YMEGRPBHYAWOID-INIZCTEOSA-N 0 0 514.429 3.903 1 0 KHAFRN COC[C@H]1CN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)CCO1 ZINC000045289922 562660313 /nfs/dbraw/zinc/66/03/13/562660313.db2.gz YMEGRPBHYAWOID-MRXNPFEDSA-N 0 0 514.429 3.903 1 0 KHAFRN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CCNCC4)cc3)sc2n1 ZINC000045290705 562660358 /nfs/dbraw/zinc/66/03/58/562660358.db2.gz IJUYJLCLPMJKHJ-FQEVSTJZSA-N 0 0 529.688 3.596 1 0 KHAFRN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CCNCC4)cc3)sc2n1 ZINC000045290708 562660329 /nfs/dbraw/zinc/66/03/29/562660329.db2.gz IJUYJLCLPMJKHJ-HXUWFJFHSA-N 0 0 529.688 3.596 1 0 KHAFRN COC(=O)[C@H](Cc1c[nH]c(C(C)(C)C)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000045291267 562660339 /nfs/dbraw/zinc/66/03/39/562660339.db2.gz MXFARWTWBGGLMQ-SFTDATJTSA-N 0 0 511.623 3.525 1 0 KHAFRN O=C(c1cccnc1)N1CCC(n2ncc3c2nc(-c2ccc4[nH]ccc4c2)nc3N2CCOCC2)CC1 ZINC000045300885 562660474 /nfs/dbraw/zinc/66/04/74/562660474.db2.gz DPTZAZDLROZORV-UHFFFAOYSA-N 0 0 508.586 3.684 1 0 KHAFRN CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 ZINC000045302914 562660724 /nfs/dbraw/zinc/66/07/24/562660724.db2.gz WOBQYQDADUAJEX-MUUNZHRXSA-N 0 0 524.625 3.707 1 0 KHAFRN CCCCNC(=O)[C@@H](c1cccc(OC)c1)N1C(=O)c2cc(Oc3ccccc3)ccc2NC(=O)[C@H]1CO ZINC000045303171 562660804 /nfs/dbraw/zinc/66/08/04/562660804.db2.gz XLGLYIRQBVDNAI-CLJLJLNGSA-N 0 0 517.582 3.900 1 0 KHAFRN CCCCNC(=O)[C@H](c1cccc(OC)c1)N1C(=O)c2cc(Oc3ccccc3)ccc2NC(=O)[C@H]1CO ZINC000045303172 562660791 /nfs/dbraw/zinc/66/07/91/562660791.db2.gz XLGLYIRQBVDNAI-FTJBHMTQSA-N 0 0 517.582 3.900 1 0 KHAFRN CCCCNC(=O)[C@@H](c1cccc(OC)c1)N1C(=O)c2cc(Oc3ccccc3)ccc2NC(=O)[C@@H]1CO ZINC000045303173 562660798 /nfs/dbraw/zinc/66/07/98/562660798.db2.gz XLGLYIRQBVDNAI-IZZNHLLZSA-N 0 0 517.582 3.900 1 0 KHAFRN CCCCNC(=O)[C@H](c1cccc(OC)c1)N1C(=O)c2cc(Oc3ccccc3)ccc2NC(=O)[C@@H]1CO ZINC000045303174 562660771 /nfs/dbraw/zinc/66/07/71/562660771.db2.gz XLGLYIRQBVDNAI-UIOOFZCWSA-N 0 0 517.582 3.900 1 0 KHAFRN Cc1cc(C)cc(OC[C@H](O)CN(CCN2CCOCC2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000045303244 562660768 /nfs/dbraw/zinc/66/07/68/562660768.db2.gz LQOBWHKFTJTBKU-JOCHJYFZSA-N 0 0 506.441 3.672 1 0 KHAFRN Cc1cc(C)cc(OC[C@@H](O)CN(CCN2CCOCC2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000045303245 562660799 /nfs/dbraw/zinc/66/07/99/562660799.db2.gz LQOBWHKFTJTBKU-QFIPXVFZSA-N 0 0 506.441 3.672 1 0 KHAFRN O=C(C1CCN(c2cccc3c2C(=O)N(C2CC2)C3=O)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000045316233 562660884 /nfs/dbraw/zinc/66/08/84/562660884.db2.gz MUQAGFWEONZVNC-UHFFFAOYSA-N 0 0 508.018 3.825 1 0 KHAFRN COc1ccc(CCNc2nc(NCCCn3ccnc3)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000045316389 562660902 /nfs/dbraw/zinc/66/09/02/562660902.db2.gz ORORJXUMESQEBQ-UHFFFAOYSA-N 0 0 515.618 3.777 1 0 KHAFRN CCOc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(C(=O)NC(C)C)[C@H](C)C2)cc1 ZINC000045321105 562661073 /nfs/dbraw/zinc/66/10/73/562661073.db2.gz FUXUPAHUCZMFKW-IBVKSMDESA-N 0 0 534.661 3.950 1 0 KHAFRN CCOc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(C(=O)NC(C)C)[C@H](C)C2)cc1 ZINC000045321109 562661070 /nfs/dbraw/zinc/66/10/70/562661070.db2.gz FUXUPAHUCZMFKW-FQRUVTKNSA-N 0 0 534.661 3.950 1 0 KHAFRN CCOc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(C(=O)NC(C)C)[C@@H](C)C2)cc1 ZINC000045321113 562661055 /nfs/dbraw/zinc/66/10/55/562661055.db2.gz FUXUPAHUCZMFKW-FNZWTVRRSA-N 0 0 534.661 3.950 1 0 KHAFRN CCOc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(C(=O)NC(C)C)[C@@H](C)C2)cc1 ZINC000045321117 562661059 /nfs/dbraw/zinc/66/10/59/562661059.db2.gz FUXUPAHUCZMFKW-RXFWQSSRSA-N 0 0 534.661 3.950 1 0 KHAFRN CC(C)(C)c1cc(=O)[nH]c(SCC(=O)N2CCCN(CC(=O)Nc3ccccc3C(C)(C)C)CC2)n1 ZINC000045335030 562661306 /nfs/dbraw/zinc/66/13/06/562661306.db2.gz DTBVTLBYFGTQMY-UHFFFAOYSA-N 0 0 513.708 3.630 1 0 KHAFRN OCc1cccc(-c2nc3c(ncn3C3CCN(c4ccc(F)cc4F)CC3)c(N3CCOCC3)n2)c1 ZINC000045337247 562661434 /nfs/dbraw/zinc/66/14/34/562661434.db2.gz UXNMHXVQYCSDTB-UHFFFAOYSA-N 0 0 506.557 3.942 1 0 KHAFRN CNc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc4c(c2)OCO4)CC3)n1 ZINC000045338975 562661558 /nfs/dbraw/zinc/66/15/58/562661558.db2.gz DYGPWCVJUIPLJF-UHFFFAOYSA-N 0 0 516.945 3.808 1 0 KHAFRN N#CN1CCC(CNC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)CC1 ZINC000045340062 562661565 /nfs/dbraw/zinc/66/15/65/562661565.db2.gz JJFLMIAQTRLTSH-UHFFFAOYSA-N 0 0 511.413 3.797 1 0 KHAFRN CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2C(=O)CN(C)C2=O)cc1 ZINC000045347146 562661597 /nfs/dbraw/zinc/66/15/97/562661597.db2.gz XJPUFMSGFDSNKS-UHFFFAOYSA-N 0 0 505.556 3.605 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000045347823 562661653 /nfs/dbraw/zinc/66/16/53/562661653.db2.gz ZPVHMQVRXRVBIJ-IGKWTDBASA-N 0 0 520.634 3.769 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000045347826 562661645 /nfs/dbraw/zinc/66/16/45/562661645.db2.gz ZPVHMQVRXRVBIJ-IEXUWNMDSA-N 0 0 520.634 3.769 1 0 KHAFRN CC(C)C[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000045347829 562661689 /nfs/dbraw/zinc/66/16/89/562661689.db2.gz HAVWWGVPGPJBJW-UPVQGACJSA-N 0 0 520.634 3.769 1 0 KHAFRN CC(C)C[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000045347832 562661668 /nfs/dbraw/zinc/66/16/68/562661668.db2.gz HAVWWGVPGPJBJW-LADGPHEKSA-N 0 0 520.634 3.769 1 0 KHAFRN CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCCS2(=O)=O)cc1 ZINC000045350213 562661721 /nfs/dbraw/zinc/66/17/21/562661721.db2.gz KZADIHLFNCWLAC-UHFFFAOYSA-N 0 0 512.613 3.746 1 0 KHAFRN CNC(=O)Cn1cnc2c1c(Br)c(Br)c(Br)c2Br ZINC000045351003 562661702 /nfs/dbraw/zinc/66/17/02/562661702.db2.gz OUBVYUVGDRTRBS-UHFFFAOYSA-N 0 0 504.802 3.832 1 0 KHAFRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000045351671 562661776 /nfs/dbraw/zinc/66/17/76/562661776.db2.gz MZQWICPEQDLLOW-SANMLTNESA-N 0 0 522.667 3.901 1 0 KHAFRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@H]2Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000045351675 562661784 /nfs/dbraw/zinc/66/17/84/562661784.db2.gz MZQWICPEQDLLOW-AREMUKBSSA-N 0 0 522.667 3.901 1 0 KHAFRN Oc1cccc(-c2nc3c(ncn3C3CCN(Cc4cncc(Cl)c4)CC3)c(N3CCOCC3)n2)c1 ZINC000045352733 562661778 /nfs/dbraw/zinc/66/17/78/562661778.db2.gz FCTIIYYWTWBECW-UHFFFAOYSA-N 0 0 506.010 3.921 1 0 KHAFRN CCCn1c2nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)n(C)c2c(=O)n(CCC)c1=O ZINC000045353288 562661737 /nfs/dbraw/zinc/66/17/37/562661737.db2.gz CWPZMYCINZPVRZ-UHFFFAOYSA-N 0 0 517.586 3.604 1 0 KHAFRN CCCCC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000045355560 562661832 /nfs/dbraw/zinc/66/18/32/562661832.db2.gz PFSBIORJGOPKRO-VWLOTQADSA-N 0 0 536.673 3.830 1 0 KHAFRN CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1 ZINC000045358324 562661973 /nfs/dbraw/zinc/66/19/73/562661973.db2.gz BTSJNBXEIPFXBK-UHFFFAOYSA-N 0 0 507.393 3.995 1 0 KHAFRN Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(C(=O)N2CCN(C(=O)C3(Nc4ccccc4)CCCC3)CC2)c1 ZINC000045364074 562661995 /nfs/dbraw/zinc/66/19/95/562661995.db2.gz JBRLKAQINFPJGH-UHFFFAOYSA-N 0 0 531.632 3.826 1 0 KHAFRN Cc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)c1=O ZINC000045364700 562662043 /nfs/dbraw/zinc/66/20/43/562662043.db2.gz WSTPQYKTYRBMIY-QFIPXVFZSA-N 0 0 519.399 3.834 1 0 KHAFRN CN1CCN(Cc2cc3nc(-c4ccc(NC(=O)NC5CC5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000045367413 562662162 /nfs/dbraw/zinc/66/21/62/562662162.db2.gz ASHVJCPRWLMYPH-SZPZYZBQSA-N 0 0 533.702 3.757 1 0 KHAFRN O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3OC(F)(F)F)CC2)nn1 ZINC000045367842 562662165 /nfs/dbraw/zinc/66/21/65/562662165.db2.gz GTAOGLKFEWOPTJ-OAQYLSRUSA-N 0 0 514.504 3.938 1 0 KHAFRN O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3OC(F)(F)F)CC2)nn1 ZINC000045367844 562662171 /nfs/dbraw/zinc/66/21/71/562662171.db2.gz GTAOGLKFEWOPTJ-NRFANRHFSA-N 0 0 514.504 3.938 1 0 KHAFRN O=C(Cc1nnc(-c2cc(Cl)cc(Br)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000045368591 562662141 /nfs/dbraw/zinc/66/21/41/562662141.db2.gz XXDBKTGROVJHHD-UHFFFAOYSA-N 0 0 517.771 3.597 1 0 KHAFRN CCNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCC4(CC3)OCCO4)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000045369528 562662194 /nfs/dbraw/zinc/66/21/94/562662194.db2.gz YCAGJYZYGLPLRL-SZPZYZBQSA-N 0 0 533.633 3.861 1 0 KHAFRN CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCC4(CC3)OCCCO4)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000045370216 562662172 /nfs/dbraw/zinc/66/21/72/562662172.db2.gz QEZCXGHWXXLBFJ-SZPZYZBQSA-N 0 0 533.633 3.861 1 0 KHAFRN CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCC(OC)(OC)CC3)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000045371733 562662263 /nfs/dbraw/zinc/66/22/63/562662263.db2.gz RZERWDKPRCXFKM-OYRHEFFESA-N 0 0 521.622 3.716 1 0 KHAFRN O=C(Cc1nnc(-c2cc(Cl)cc(C(F)(F)F)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000045372995 562662280 /nfs/dbraw/zinc/66/22/80/562662280.db2.gz FOVKBOIZMSFBTO-UHFFFAOYSA-N 0 0 506.872 3.853 1 0 KHAFRN O=C(NC[C@H](O)c1cccnc1)c1ccc(N2CCC3(CCc4c(cccc4C(F)(F)F)O3)CC2)nn1 ZINC000045386578 562662420 /nfs/dbraw/zinc/66/24/20/562662420.db2.gz WLOLMYNNISZAOR-NRFANRHFSA-N 0 0 513.520 3.718 1 0 KHAFRN O=C(NC[C@@H](O)c1cccnc1)c1ccc(N2CCC3(CCc4c(cccc4C(F)(F)F)O3)CC2)nn1 ZINC000045386583 562662402 /nfs/dbraw/zinc/66/24/02/562662402.db2.gz WLOLMYNNISZAOR-OAQYLSRUSA-N 0 0 513.520 3.718 1 0 KHAFRN O=C(CCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O)N1CCOCC1 ZINC000045484922 562662596 /nfs/dbraw/zinc/66/25/96/562662596.db2.gz QURNXQBMNGUUHO-UHFFFAOYSA-N 0 0 503.942 3.953 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(OC)cc2)CC1 ZINC000045495173 562662617 /nfs/dbraw/zinc/66/26/17/562662617.db2.gz CMBPWSZHVDWLRC-OAQYLSRUSA-N 0 0 522.671 3.553 1 0 KHAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(OC)cc2)CC1 ZINC000045495176 562662604 /nfs/dbraw/zinc/66/26/04/562662604.db2.gz CMBPWSZHVDWLRC-NRFANRHFSA-N 0 0 522.671 3.553 1 0 KHAFRN Cc1nc(C)n2c1CN(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2=O ZINC000045496877 562662731 /nfs/dbraw/zinc/66/27/31/562662731.db2.gz VMJJUUSOTIBUQR-UHFFFAOYSA-N 0 0 515.035 3.945 1 0 KHAFRN CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CC[NH2+]CC4)cc3)ncc2c1=O ZINC000045497707 562662751 /nfs/dbraw/zinc/66/27/51/562662751.db2.gz QITJGANHTIQNPN-UHFFFAOYSA-N 0 0 510.598 3.771 1 0 KHAFRN CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1cccc(OC)c1)C(=O)Nc1nccs1)N(O)C=O ZINC000048307292 562662872 /nfs/dbraw/zinc/66/28/72/562662872.db2.gz BBZLVKPIBOFRDX-SGNDLWITSA-N 0 0 575.732 3.854 1 0 KHAFRN CC(C)S(=O)(=O)N1CCN(Cc2ccc3c(c2)nc(NC(=O)c2ccsc2)n3C[C@H](O)c2ccccc2)CC1 ZINC000048307300 562662978 /nfs/dbraw/zinc/66/29/78/562662978.db2.gz BXTSNFCXYOSUKY-SANMLTNESA-N 0 0 567.737 3.940 1 0 KHAFRN CCOC(=O)c1nc(-c2cc(Cl)nc(Cl)c2)[n-]c1NC(=S)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000048308851 562663130 /nfs/dbraw/zinc/66/31/30/562663130.db2.gz GFQNNYHJPIMRDB-UHFFFAOYSA-N 0 0 543.458 3.813 1 0 KHAFRN CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ncccn1)N(O)C=O ZINC000048308863 562663127 /nfs/dbraw/zinc/66/31/27/562663127.db2.gz UOCPXTAKXHLMHI-DSITVLBTSA-N 0 0 570.691 3.675 1 0 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CCCSc1cc(-c2nn(CCCN3CCOCC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl ZINC000049068837 562664014 /nfs/dbraw/zinc/66/40/14/562664014.db2.gz QZHKNXNRQDXQCO-UHFFFAOYSA-N 0 0 513.129 3.746 1 0 KHAFRN Cc1cc2c(c(-c3cccc(Cl)c3)nnc2NCCCN2CCN(C(=O)c3ncccn3)CC2)n1C ZINC000049072107 562664240 /nfs/dbraw/zinc/66/42/40/562664240.db2.gz NTTHGUAFUATIQR-UHFFFAOYSA-N 0 0 505.026 3.647 1 0 KHAFRN COc1ccc(Cl)cc1Cn1nc(C(=O)NCCO)cc1-c1sc(NC(=O)C(C)(C)C)nc1C ZINC000049088192 562664318 /nfs/dbraw/zinc/66/43/18/562664318.db2.gz DYYAZWNOUPHVGB-UHFFFAOYSA-N 0 0 506.028 3.732 1 0 KHAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCN1CCN(Cc3ccc(C(C)C)cc(O)c3=O)CC1)O2 ZINC000049088925 562664399 /nfs/dbraw/zinc/66/43/99/562664399.db2.gz HGYZQQYSPZGWBC-HKBQPEDESA-N 0 0 537.701 3.524 1 0 KHAFRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCN1CCN(Cc3ccc(C(C)C)cc(O)c3=O)CC1)O2 ZINC000049088926 562664377 /nfs/dbraw/zinc/66/43/77/562664377.db2.gz HGYZQQYSPZGWBC-WJOKGBTCSA-N 0 0 537.701 3.524 1 0 KHAFRN 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CN1CCN(c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc5c(c3)OCO5)CC4)n2)CC1 ZINC000049746696 562674554 /nfs/dbraw/zinc/67/45/54/562674554.db2.gz MJTUIJUSFZYMLG-UHFFFAOYSA-N 0 0 586.052 3.518 1 0 KHAFRN CC(=O)Oc1cc(OC(C)=O)cc(C(=O)O[C@@H]2Cc3ccccc3C[C@@H]2OC(=O)c2cc(OC(C)=O)cc(OC(C)=O)c2)c1 ZINC000049746704 562674520 /nfs/dbraw/zinc/67/45/20/562674520.db2.gz AIXDPDVAFSKLIT-RNPORBBMSA-N 0 0 604.564 3.938 1 0 KHAFRN CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000049746706 562674542 /nfs/dbraw/zinc/67/45/42/562674542.db2.gz LOEGYPZJIIRPHS-MHZLTWQESA-N 0 0 592.718 3.502 1 0 KHAFRN CC(=O)Oc1cc(C(=O)O[C@@H]2Cc3ccccc3C[C@@H]2OC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O ZINC000049746789 562674574 /nfs/dbraw/zinc/67/45/74/562674574.db2.gz WWHADSIUQHLHLO-HNRBIFIRSA-N 0 0 720.636 3.788 1 0 KHAFRN O=C(c1ccccn1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746851 562674630 /nfs/dbraw/zinc/67/46/30/562674630.db2.gz KTXPWQMRCCXMLX-UHFFFAOYSA-N 0 0 553.584 3.516 1 0 KHAFRN O=C(c1cccnc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746853 562674628 /nfs/dbraw/zinc/67/46/28/562674628.db2.gz KRQSYJIYPLUQBO-UHFFFAOYSA-N 0 0 553.584 3.516 1 0 KHAFRN CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4c(nnn4CC)c(N4CCOCC4)n3)cc2)cc1 ZINC000049746859 562674649 /nfs/dbraw/zinc/67/46/49/562674649.db2.gz QRYDPOHAXNITJN-UHFFFAOYSA-N 0 0 543.632 3.919 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3coc4cc(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)ccc4c3=O)ccc2OC)c1 ZINC000049746889 562674621 /nfs/dbraw/zinc/67/46/21/562674621.db2.gz LADQPDDESQNDGO-OBORMVJTSA-N 0 0 591.613 3.980 1 0 KHAFRN CCC(=O)N[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(CC)cn2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049746912 562674653 /nfs/dbraw/zinc/67/46/53/562674653.db2.gz SQQQVLYYSGVZJF-WFFVHEBKSA-N 0 0 623.762 3.503 1 0 KHAFRN NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3cc(N4CCOCC4)ncc3Cl)cc1-2 ZINC000049746914 562674669 /nfs/dbraw/zinc/67/46/69/562674669.db2.gz JBRVLDMJBIQTFC-UHFFFAOYSA-N 0 0 573.009 3.603 1 0 KHAFRN CC(=O)Oc1ccc(/C=C/C(=O)O[C@@H]2C=C[C@@]3(C[C@H]2OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)OC(C)(C)OC3=O)cc1OC(C)=O ZINC000049746918 562674696 /nfs/dbraw/zinc/67/46/96/562674696.db2.gz ONIFLPHFTYYBCX-GAFNRHKNSA-N 0 0 706.653 3.946 1 0 KHAFRN O=S(=O)(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F ZINC000049756043 562674755 /nfs/dbraw/zinc/67/47/55/562674755.db2.gz MLOSYDVMRNVHCU-UHFFFAOYSA-N 0 0 588.651 3.670 1 0 KHAFRN NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3nc(N4CCOCC4)ccc3Cl)cc1-2 ZINC000049756065 562674792 /nfs/dbraw/zinc/67/47/92/562674792.db2.gz KFENJMYMYDFMHB-UHFFFAOYSA-N 0 0 573.009 3.603 1 0 KHAFRN CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[C@@H]3CCCC[NH2+]3)cc(-c3ccccc3)n2)CC1 ZINC000049756137 562674855 /nfs/dbraw/zinc/67/48/55/562674855.db2.gz PVBRLPSUVBAWAQ-BDYUSTAISA-N 0 0 623.751 3.704 1 0 KHAFRN CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[C@H]3CCCC[NH2+]3)cc(-c3ccccc3)n2)CC1 ZINC000049756139 562674885 /nfs/dbraw/zinc/67/48/85/562674885.db2.gz PVBRLPSUVBAWAQ-VPUSJEBWSA-N 0 0 623.751 3.704 1 0 KHAFRN COc1cccc2c1OC[C@H](Cc1ccc(OCCN3CCOCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049756215 562674899 /nfs/dbraw/zinc/67/48/99/562674899.db2.gz XGLISZVFINHBKW-SANMLTNESA-N 0 0 552.693 3.909 1 0 KHAFRN CC(C)n1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(N4CCOCC4)cc3)cc1)nc2N1CCOCC1 ZINC000049756234 562674896 /nfs/dbraw/zinc/67/48/96/562674896.db2.gz QWRBSSZTFVEFQM-UHFFFAOYSA-N 0 0 543.632 3.786 1 0 KHAFRN O=C(Cc1nnc(-c2cc(-c3ccccc3)cc(N3CCOCC3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000049756253 562674897 /nfs/dbraw/zinc/67/48/97/562674897.db2.gz INHOEZWQAIZCJJ-UHFFFAOYSA-N 0 0 565.634 3.684 1 0 KHAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756285 562674949 /nfs/dbraw/zinc/67/49/49/562674949.db2.gz ULIUVTMKMDUBGV-MHZLTWQESA-N 0 0 623.751 3.561 1 0 KHAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CC[NH+](C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756403 562674976 /nfs/dbraw/zinc/67/49/76/562674976.db2.gz MHRUDWMBOPCJQN-MHZLTWQESA-N 0 0 623.751 3.656 1 0 KHAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CC[NH+](CCOC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756405 562675005 /nfs/dbraw/zinc/67/50/05/562675005.db2.gz XURUYCRZVYGPAF-LJAQVGFWSA-N 0 0 667.804 3.672 1 0 KHAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH+](C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756409 562675008 /nfs/dbraw/zinc/67/50/08/562675008.db2.gz VBYRVTFQWAWHHU-NDEPHWFRSA-N 0 0 637.778 3.903 1 0 KHAFRN CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2cccc(C)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000049756625 562675181 /nfs/dbraw/zinc/67/51/81/562675181.db2.gz IUAAHTCKKKLDOH-MITFSUDWSA-N 0 0 630.697 3.617 1 0 KHAFRN CN1CCN(c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)n2)CC1 ZINC000049756628 562675162 /nfs/dbraw/zinc/67/51/62/562675162.db2.gz MMDXBGKZEZQKND-UHFFFAOYSA-N 0 0 560.033 3.928 1 0 KHAFRN CC[C@H]1OC(=O)[C@H](C)C[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000049756755 562675226 /nfs/dbraw/zinc/67/52/26/562675226.db2.gz INIPAICNGNIRBE-KGWHDIEYSA-N 0 0 599.762 3.726 1 0 KHAFRN CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CC[NH2+]CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756792 562675267 /nfs/dbraw/zinc/67/52/67/562675267.db2.gz VHXJWUYBJBCMGM-MHZLTWQESA-N 0 0 623.751 3.704 1 0 KHAFRN CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1 ZINC000049756802 562675272 /nfs/dbraw/zinc/67/52/72/562675272.db2.gz BLIHXFNPRDSWKB-IEIRFRATSA-N 0 0 554.116 3.723 1 0 KHAFRN CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2Br)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1 ZINC000049756987 562675369 /nfs/dbraw/zinc/67/53/69/562675369.db2.gz DCEKHWXALSASNF-SOVGHPHASA-N 0 0 621.989 3.814 1 0 KHAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000049757066 562675509 /nfs/dbraw/zinc/67/55/09/562675509.db2.gz SAMZKQZXZZDYDL-GDWLNVSCSA-N 0 0 630.558 3.956 1 0 KHAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000049757067 562675528 /nfs/dbraw/zinc/67/55/28/562675528.db2.gz SAMZKQZXZZDYDL-AIGPYBJDSA-N 0 0 630.558 3.956 1 0 KHAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000049757068 562675488 /nfs/dbraw/zinc/67/54/88/562675488.db2.gz SAMZKQZXZZDYDL-PNEQTXRNSA-N 0 0 630.558 3.956 1 0 KHAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000049757069 562675522 /nfs/dbraw/zinc/67/55/22/562675522.db2.gz SAMZKQZXZZDYDL-CDFDACKPSA-N 0 0 630.558 3.956 1 0 KHAFRN O=c1[nH]c2c([nH]1)c(I)c(I)c(I)c2I ZINC000049757099 562675496 /nfs/dbraw/zinc/67/54/96/562675496.db2.gz LFHVSFGOXSUYOH-UHFFFAOYSA-N 0 0 637.722 3.687 1 0 KHAFRN O=C(CN(c1nc(Cl)nc2nc[nH]c21)C1CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000049757117 562675554 /nfs/dbraw/zinc/67/55/54/562675554.db2.gz PPNAOTKRDDAQQI-QFIPXVFZSA-N 0 0 544.015 3.927 1 0 KHAFRN CCOC(=O)N1CCN(C(=O)[C@@H]2O[C@@]3(c4ccccc4)CN(C(c4ccccc4)c4ccccc4)C(=O)[C@@H]2O3)CC1 ZINC000049757206 562675701 /nfs/dbraw/zinc/67/57/01/562675701.db2.gz HRVKDLJFWCDDSR-AUSNRZEJSA-N 0 0 555.631 3.556 1 0 KHAFRN CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049757225 562675679 /nfs/dbraw/zinc/67/56/79/562675679.db2.gz HMFRTKWUEKZJKW-PSWAGMNNSA-N 0 0 634.788 3.842 1 0 KHAFRN CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)CC1 ZINC000049757251 562675762 /nfs/dbraw/zinc/67/57/62/562675762.db2.gz NZRYKDOKNLNIOD-NDEPHWFRSA-N 0 0 637.778 3.951 1 0 KHAFRN CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)CC1 ZINC000049757252 562675809 /nfs/dbraw/zinc/67/58/09/562675809.db2.gz OZNPRKONZQGMHJ-IGKIAQTJSA-N 0 0 623.751 3.561 1 0 KHAFRN CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)CC1 ZINC000049757253 562675803 /nfs/dbraw/zinc/67/58/03/562675803.db2.gz OZNPRKONZQGMHJ-SQHAQQRYSA-N 0 0 623.751 3.561 1 0 KHAFRN C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC ZINC000049757301 562675835 /nfs/dbraw/zinc/67/58/35/562675835.db2.gz JIBNKPQBEIZZCU-DYWXBFQLSA-N 0 0 592.645 3.507 1 0 in-vivo KHAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2ccc(N)cc2)ccc1O ZINC000049757318 562675912 /nfs/dbraw/zinc/67/59/12/562675912.db2.gz WPSYBCFOICXUDJ-WZFJQBBKSA-N 0 0 601.564 3.810 1 0 KHAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2ccc(N)cc2)ccc1O ZINC000049757319 562675916 /nfs/dbraw/zinc/67/59/16/562675916.db2.gz WPSYBCFOICXUDJ-GFOCBTRVSA-N 0 0 601.564 3.810 1 0 KHAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2ccc(N)cc2)ccc1O ZINC000049757320 562675914 /nfs/dbraw/zinc/67/59/14/562675914.db2.gz WPSYBCFOICXUDJ-HMAILUFVSA-N 0 0 601.564 3.810 1 0 KHAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2ccc(N)cc2)ccc1O ZINC000049757321 562675918 /nfs/dbraw/zinc/67/59/18/562675918.db2.gz WPSYBCFOICXUDJ-GDZAYFCTSA-N 0 0 601.564 3.810 1 0 KHAFRN CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)CC1 ZINC000049757341 562675922 /nfs/dbraw/zinc/67/59/22/562675922.db2.gz HYBBGSNXJIBWBP-MHZLTWQESA-N 0 0 623.751 3.561 1 0 KHAFRN CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@H](NC(=O)c2nc3c(s2)CN(C)C3)C1 ZINC000049757366 562675930 /nfs/dbraw/zinc/67/59/30/562675930.db2.gz KDVKXSIMMKHVJO-SESVDKBCSA-N 0 0 540.089 3.680 1 0 KHAFRN CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049757367 562675925 /nfs/dbraw/zinc/67/59/25/562675925.db2.gz MDAFZGAXBHQRNG-PSWAGMNNSA-N 0 0 634.788 3.842 1 0 KHAFRN O=C(NCc1cccc2ccccc21)[C@H]1S[C@@H](n2cnc3c2ncnc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O ZINC000049757371 562675944 /nfs/dbraw/zinc/67/59/44/562675944.db2.gz QNHFTEAVKVRKMS-NLJXWPIHSA-N 0 0 652.518 3.848 1 0 KHAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NCC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 ZINC000049757382 562675957 /nfs/dbraw/zinc/67/59/57/562675957.db2.gz IQIIIMMKMYGQTN-MHZLTWQESA-N 0 0 709.845 3.650 1 0 KHAFRN O=C(CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000049757454 562676044 /nfs/dbraw/zinc/67/60/44/562676044.db2.gz JXQQVSGTDMTBKZ-BDYUSTAISA-N 0 0 570.650 3.671 1 0 KHAFRN O=C(CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000049757455 562676037 /nfs/dbraw/zinc/67/60/37/562676037.db2.gz JXQQVSGTDMTBKZ-AHKZPQOWSA-N 0 0 570.650 3.671 1 0 KHAFRN CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000049761778 562676136 /nfs/dbraw/zinc/67/61/36/562676136.db2.gz TYOLJBMGLGYHJQ-MHZLTWQESA-N 0 0 556.663 3.954 1 0 KHAFRN CN1CCN(C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Br)cc3)c2Cn2cncn2)CC1 ZINC000049761901 562676210 /nfs/dbraw/zinc/67/62/10/562676210.db2.gz QDFRDIVRWMYVNH-UHFFFAOYSA-N 0 0 540.853 3.983 1 0 KHAFRN C[C@]1(O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2cccnc2)[C@]2(C)[C@H](CC=C[C@]2(C)O)[C@@]1(C)/C=C/C1=CC(=O)OC1 ZINC000049761925 562676179 /nfs/dbraw/zinc/67/61/79/562676179.db2.gz XOXFENMJJYQPJP-VPHYOZAUSA-N 0 0 573.642 3.976 1 0 in-vitro KHAFRN O=C(CN(c1nc(Cl)nc2nc[nH]c21)C1CC1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000049762016 562676322 /nfs/dbraw/zinc/67/63/22/562676322.db2.gz IMOIIIRPJHRUBB-QFIPXVFZSA-N 0 0 577.041 3.727 1 0 KHAFRN Ic1c2nc[nH]c2c(I)c(I)c1I ZINC000049762279 562676492 /nfs/dbraw/zinc/67/64/92/562676492.db2.gz ZUHFPYANLLWSJR-UHFFFAOYSA-N 0 0 621.723 3.981 1 0 in-vitro KHAFRN CCCCNC(=O)[C@@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCc3cccc(OC)c3)ccc2NC(=O)[C@H]1CO ZINC000049762426 562676536 /nfs/dbraw/zinc/67/65/36/562676536.db2.gz ORVQLXCMKOKVRY-FQLXRVMXSA-N 0 0 575.662 3.738 1 0 KHAFRN CCCCNC(=O)[C@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCc3cccc(OC)c3)ccc2NC(=O)[C@H]1CO ZINC000049762428 562676542 /nfs/dbraw/zinc/67/65/42/562676542.db2.gz ORVQLXCMKOKVRY-WDYNHAJCSA-N 0 0 575.662 3.738 1 0 KHAFRN CCCCNC(=O)[C@@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCc3cccc(OC)c3)ccc2NC(=O)[C@@H]1CO ZINC000049762430 562676581 /nfs/dbraw/zinc/67/65/81/562676581.db2.gz ORVQLXCMKOKVRY-URLMMPGGSA-N 0 0 575.662 3.738 1 0 KHAFRN CCCCNC(=O)[C@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCc3cccc(OC)c3)ccc2NC(=O)[C@@H]1CO ZINC000049762432 562676574 /nfs/dbraw/zinc/67/65/74/562676574.db2.gz ORVQLXCMKOKVRY-VMPREFPWSA-N 0 0 575.662 3.738 1 0 KHAFRN O=C(Nc1nonc1NC(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000049762540 562676626 /nfs/dbraw/zinc/67/66/26/562676626.db2.gz DQBDTCPTGZFPEC-UHFFFAOYSA-N 0 0 560.089 3.783 1 0 KHAFRN Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OCC[C@H]3C2)CSC1(C)C ZINC000049762678 562676673 /nfs/dbraw/zinc/67/66/73/562676673.db2.gz USTCYMPJUQCAHB-SKPVBHLHSA-N 0 0 595.762 3.557 1 0 KHAFRN Cc1nnnn1[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(C(C)C)cn2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049762830 562676711 /nfs/dbraw/zinc/67/67/11/562676711.db2.gz IMXHSAQVSOGNKP-HNRHMXCFSA-N 0 0 648.776 3.705 1 0 KHAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH+](CCOC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049762849 562676767 /nfs/dbraw/zinc/67/67/67/562676767.db2.gz WZGXQOVONKLOJG-PMERELPUSA-N 0 0 681.831 3.920 1 0 KHAFRN O=C(c1ccccn1)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1 ZINC000049762993 562676781 /nfs/dbraw/zinc/67/67/81/562676781.db2.gz ILPILELZFOGZTC-UHFFFAOYSA-N 0 0 528.371 3.658 1 0 KHAFRN O=C(NCCF)Nc1ccc(-c2nc3c(cnn3C3CCC4(CC3)OCCO4)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000049763209 562676856 /nfs/dbraw/zinc/67/68/56/562676856.db2.gz LRLKPJBRGFJMKN-SZPZYZBQSA-N 0 0 551.623 3.810 1 0 KHAFRN CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc5c(c3)OCO5)CC4)c(Cl)cn2)CC1 ZINC000049763214 562676885 /nfs/dbraw/zinc/67/68/85/562676885.db2.gz TWVGVGBRJZHUBZ-UHFFFAOYSA-N 0 0 586.052 3.518 1 0 KHAFRN COCCN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000049763217 562676892 /nfs/dbraw/zinc/67/68/92/562676892.db2.gz RFRNHNLTXYAIMW-UHFFFAOYSA-N 0 0 604.086 3.945 1 0 KHAFRN C[C@@H]1C[C@H]2O[C@@]3(C[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]2(C)[C@@H]13)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000049765511 562676918 /nfs/dbraw/zinc/67/69/18/562676918.db2.gz YMNLMXSYVMONGN-GOVYPKPESA-N 0 0 618.852 3.785 1 0 KHAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc32)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049765552 562676924 /nfs/dbraw/zinc/67/69/24/562676924.db2.gz AUWNLGCUIINJDZ-KYBMZIDPSA-N 0 0 653.824 3.613 1 0 KHAFRN Cc1ncc(-c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)n1C ZINC000049766386 562677049 /nfs/dbraw/zinc/67/70/49/562677049.db2.gz CFQOXXLFJBIIEK-UHFFFAOYSA-N 0 0 532.992 3.543 1 0 KHAFRN CCCCCS(=O)(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000049766449 562677031 /nfs/dbraw/zinc/67/70/31/562677031.db2.gz MZIYMJXDACWJNO-SANMLTNESA-N 0 0 586.755 3.633 1 0 KHAFRN CCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000049766541 562677063 /nfs/dbraw/zinc/67/70/63/562677063.db2.gz CMSVGLUBQWUBAO-VWLOTQADSA-N 0 0 551.688 3.623 1 0 KHAFRN CCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000049766828 562677240 /nfs/dbraw/zinc/67/72/40/562677240.db2.gz NOCWTDRFTKZITE-VWLOTQADSA-N 0 0 567.756 3.788 1 0 KHAFRN COc1ccc2c(c1)OC[C@H](Cc1ccc(OCCN3CCOCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049767034 562677336 /nfs/dbraw/zinc/67/73/36/562677336.db2.gz JAWJYLXJOZDZRE-SANMLTNESA-N 0 0 552.693 3.909 1 0 KHAFRN OC[C@H]1O[C@H](n2cnc3c2nc(Sc2ccccc2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049767165 562677392 /nfs/dbraw/zinc/67/73/92/562677392.db2.gz VFZJMOMLQDKESF-TXGFFYAOSA-N 0 0 555.660 3.833 1 0 KHAFRN OC[C@H]1O[C@@H](n2cnc3c2nc(Sc2ccccc2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049767167 562677437 /nfs/dbraw/zinc/67/74/37/562677437.db2.gz VFZJMOMLQDKESF-CTDWIVFPSA-N 0 0 555.660 3.833 1 0 KHAFRN COc1cc(OC)cc([C@H](CNc2nc(Nc3ccccc3)nc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1 ZINC000049767249 562677503 /nfs/dbraw/zinc/67/75/03/562677503.db2.gz BXQDYCLKYSNPLC-CCCPBAMUSA-N 0 0 612.687 3.751 1 0 KHAFRN COc1cc(OC)cc([C@@H](CNc2nc(Nc3ccccc3)nc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1 ZINC000049767251 562677502 /nfs/dbraw/zinc/67/75/02/562677502.db2.gz BXQDYCLKYSNPLC-DRKHLMHSSA-N 0 0 612.687 3.751 1 0 KHAFRN COc1cc(OC)cc([C@H](CNc2nc(Nc3ccccc3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1 ZINC000049767253 562677478 /nfs/dbraw/zinc/67/74/78/562677478.db2.gz BXQDYCLKYSNPLC-JUCHKJSUSA-N 0 0 612.687 3.751 1 0 KHAFRN COc1cc(OC)cc([C@@H](CNc2nc(Nc3ccccc3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccccc2C)c1 ZINC000049767255 562677491 /nfs/dbraw/zinc/67/74/91/562677491.db2.gz BXQDYCLKYSNPLC-FHZADDBDSA-N 0 0 612.687 3.751 1 0 KHAFRN CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)CS(C)(=O)=O)c1)C(=O)NCC(C)C ZINC000049767405 562677554 /nfs/dbraw/zinc/67/75/54/562677554.db2.gz HGPVTNBSWPHMHD-WXHGADMPSA-N 0 0 732.847 3.610 1 0 KHAFRN COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)[C@H](CO)C(=O)N3)c1 ZINC000049767711 562677666 /nfs/dbraw/zinc/67/76/66/562677666.db2.gz AXGBLZIKASSFIA-VSGBNLITSA-N 0 0 575.662 3.737 1 0 KHAFRN COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)[C@H](CO)C(=O)N3)c1 ZINC000049767713 562677655 /nfs/dbraw/zinc/67/76/55/562677655.db2.gz AXGBLZIKASSFIA-IZLXSDGUSA-N 0 0 575.662 3.737 1 0 KHAFRN COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)[C@@H](CO)C(=O)N3)c1 ZINC000049767715 562677676 /nfs/dbraw/zinc/67/76/76/562677676.db2.gz AXGBLZIKASSFIA-WUFINQPMSA-N 0 0 575.662 3.737 1 0 KHAFRN COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)[C@@H](CO)C(=O)N3)c1 ZINC000049767717 562677686 /nfs/dbraw/zinc/67/76/86/562677686.db2.gz AXGBLZIKASSFIA-NSOVKSMOSA-N 0 0 575.662 3.737 1 0 KHAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1-c1ccccc1OC ZINC000049768123 562677876 /nfs/dbraw/zinc/67/78/76/562677876.db2.gz LOLPBMSXYFJANG-RDPSFJRHSA-N 0 0 564.660 3.957 1 0 KHAFRN O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2)n1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000049771143 562678010 /nfs/dbraw/zinc/67/80/10/562678010.db2.gz TUGYEWRECHCVCB-BDYUSTAISA-N 0 0 601.610 3.707 1 0 KHAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1-c1ccccc1OC ZINC000049771149 562677995 /nfs/dbraw/zinc/67/79/95/562677995.db2.gz LOLPBMSXYFJANG-YKSBVNFPSA-N 0 0 564.660 3.957 1 0 KHAFRN CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(C(=O)OC(C)C)CC3)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000049771197 562678003 /nfs/dbraw/zinc/67/80/03/562678003.db2.gz RVLKZQZKANYURC-SZPZYZBQSA-N 0 0 548.648 3.794 1 0 KHAFRN O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CCN(S(=O)(=O)C(F)(F)F)C2)CC1 ZINC000049771253 562678042 /nfs/dbraw/zinc/67/80/42/562678042.db2.gz ZGFMSCFXRLKNRH-UHFFFAOYSA-N 0 0 605.053 3.638 1 0 KHAFRN O=C(c1ccncc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049771448 562678185 /nfs/dbraw/zinc/67/81/85/562678185.db2.gz MBLSOEXVEPXAFY-UHFFFAOYSA-N 0 0 553.584 3.516 1 0 KHAFRN C/C1=C/C(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@H]4O[C@H](C1)O[C@@H]4C)[C@@]3(C)[C@]21CO1 ZINC000049771601 562678254 /nfs/dbraw/zinc/67/82/54/562678254.db2.gz IWFOIUWPNYEUAI-WUCVSPPTSA-N 0 0 512.599 3.707 1 0 KHAFRN O=C(CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000049771620 562678250 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CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(N(C)C)c2)CC1 ZINC000053178459 562696403 /nfs/dbraw/zinc/69/64/03/562696403.db2.gz VAHDIFWZSJOVTG-RUZDIDTESA-N 0 0 532.689 3.591 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(N(C)C)c2)CC1 ZINC000053178461 562696385 /nfs/dbraw/zinc/69/63/85/562696385.db2.gz VAHDIFWZSJOVTG-VWLOTQADSA-N 0 0 532.689 3.591 1 0 KHAFRN Cc1ccc(Nc2ncccc2C(=O)NC[C@H](O)CN2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053194145 562696473 /nfs/dbraw/zinc/69/64/73/562696473.db2.gz MBIJYFHYBJWYNE-DEOSSOPVSA-N 0 0 503.647 3.834 1 0 KHAFRN Cc1ccc(Nc2ncccc2C(=O)NC[C@@H](O)CN2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053194147 562696480 /nfs/dbraw/zinc/69/64/80/562696480.db2.gz MBIJYFHYBJWYNE-XMMPIXPASA-N 0 0 503.647 3.834 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000053195646 562696500 /nfs/dbraw/zinc/69/65/00/562696500.db2.gz PCYHTKXWAXOVSV-JOCHJYFZSA-N 0 0 506.672 3.933 1 0 KHAFRN CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000053195649 562696488 /nfs/dbraw/zinc/69/64/88/562696488.db2.gz PCYHTKXWAXOVSV-QFIPXVFZSA-N 0 0 506.672 3.933 1 0 KHAFRN Cc1ccc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@@H]3C4CCC(CC4)[C@@H]32)cc1F ZINC000053204586 562696460 /nfs/dbraw/zinc/69/64/60/562696460.db2.gz NGMHOTJNJPXSOU-UGSPWLTQSA-N 0 0 588.683 3.678 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCNC(C)=O)CCC3)cc1 ZINC000053214548 562696446 /nfs/dbraw/zinc/69/64/46/562696446.db2.gz KKULHWAGAYCAAF-SSEXGKCCSA-N 0 0 616.759 3.953 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(F)c(F)c3)C1=O)N2 ZINC000053224440 562696547 /nfs/dbraw/zinc/69/65/47/562696547.db2.gz KQLJKRCXZROZOM-KBEHYWLWSA-N 0 0 592.646 3.508 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3cc(F)ccc3F)C1=O)N2 ZINC000053224454 562696553 /nfs/dbraw/zinc/69/65/53/562696553.db2.gz UQLDMGQWNPNAQK-OAKDCAPRSA-N 0 0 592.646 3.508 1 0 KHAFRN 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CWVBAGKQLJZZKD-GJZGRUSLSA-N 0 0 509.565 3.889 1 0 KHAFRN Cc1cc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@@H]3C4CCC(CC4)[C@@H]32)ccc1F ZINC000053239289 562696726 /nfs/dbraw/zinc/69/67/26/562696726.db2.gz ULYSPASSQFVOSE-UGSPWLTQSA-N 0 0 588.683 3.678 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3cccc(F)c3F)C1=O)N2 ZINC000053239290 562696750 /nfs/dbraw/zinc/69/67/50/562696750.db2.gz VXIORGQVHCHJJF-ZBWZFELMSA-N 0 0 592.646 3.508 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3ccc(F)c(Cl)c3)C1=O)N2 ZINC000053239295 562696763 /nfs/dbraw/zinc/69/67/63/562696763.db2.gz KPAPCAYPFRBKLZ-NUGMEJGNSA-N 0 0 595.074 3.633 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3ccc(F)cc3Cl)C1=O)N2 ZINC000053239350 562696765 /nfs/dbraw/zinc/69/67/65/562696765.db2.gz NZPFIGPGHRMQAS-CQJTUVQWSA-N 0 0 595.074 3.633 1 0 KHAFRN 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CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)/C=C/c1ccccc1)[C@H]3OC(C)=O ZINC000060021802 562702526 /nfs/dbraw/zinc/70/25/26/562702526.db2.gz UZERLQGPVQUULB-XTVFNSBSSA-N 0 0 600.661 3.564 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCOCC3)nc2NC(=O)N2CCOCC2)cc1I ZINC000060148207 562702565 /nfs/dbraw/zinc/70/25/65/562702565.db2.gz OUJJVDSQLFVTHD-UHFFFAOYSA-N 0 0 626.452 3.734 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@@H]3CCCN3C(C)=O)nc2N)cc1I ZINC000060148209 562702574 /nfs/dbraw/zinc/70/25/74/562702574.db2.gz UVGIZDAFZOQJAR-HNNXBMFYSA-N 0 0 539.374 3.537 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@H]3CCCN3C(C)=O)nc2N)cc1I ZINC000060148214 562702566 /nfs/dbraw/zinc/70/25/66/562702566.db2.gz UVGIZDAFZOQJAR-OAHLLOKOSA-N 0 0 539.374 3.537 1 0 KHAFRN CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc32)n(-c2ccc(OCC(=O)NCCO)cc2)n1 ZINC000063540246 562704528 /nfs/dbraw/zinc/70/45/28/562704528.db2.gz CCGONFUHNLRGRE-UHFFFAOYSA-N 0 0 514.582 3.632 1 0 KHAFRN CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc32)n(-c2cccc(OCC(=O)NCCO)c2)n1 ZINC000063540263 562704511 /nfs/dbraw/zinc/70/45/11/562704511.db2.gz LAFJLZWDOZQPGO-UHFFFAOYSA-N 0 0 514.582 3.632 1 0 KHAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064235607 562704550 /nfs/dbraw/zinc/70/45/50/562704550.db2.gz QZDUQTKGCRWXCF-ZNOAHEKZSA-N 0 0 547.627 3.734 1 0 KHAFRN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 ZINC000064245723 562704551 /nfs/dbraw/zinc/70/45/51/562704551.db2.gz PVIHGJMPKOGYLJ-GDLZYMKVSA-N 0 0 526.641 3.792 1 0 KHAFRN O[C@](CN(Cc1cn(Cc2ccc(Br)cc2)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064264509 562704716 /nfs/dbraw/zinc/70/47/16/562704716.db2.gz LPLKUNYEQCZRIO-XMMPIXPASA-N 0 0 544.404 3.511 1 0 KHAFRN O[C@@](CN(Cc1cn(Cc2ccc(Br)cc2)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064264511 562704725 /nfs/dbraw/zinc/70/47/25/562704725.db2.gz LPLKUNYEQCZRIO-DEOSSOPVSA-N 0 0 544.404 3.511 1 0 KHAFRN O[C@](CN(Cc1cn(Cc2cccc(Br)c2)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064264608 562704733 /nfs/dbraw/zinc/70/47/33/562704733.db2.gz BPPMDEYCOQFVTC-XMMPIXPASA-N 0 0 544.404 3.511 1 0 KHAFRN O[C@@](CN(Cc1cn(Cc2cccc(Br)c2)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064264609 562704693 /nfs/dbraw/zinc/70/46/93/562704693.db2.gz BPPMDEYCOQFVTC-DEOSSOPVSA-N 0 0 544.404 3.511 1 0 KHAFRN O[C@](CN(Cc1cn(Cc2ccccc2Br)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064287015 562704713 /nfs/dbraw/zinc/70/47/13/562704713.db2.gz CBONYYMNTJXFJN-XMMPIXPASA-N 0 0 544.404 3.511 1 0 KHAFRN O[C@@](CN(Cc1cn(Cc2ccccc2Br)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064287017 562704689 /nfs/dbraw/zinc/70/46/89/562704689.db2.gz CBONYYMNTJXFJN-DEOSSOPVSA-N 0 0 544.404 3.511 1 0 KHAFRN COc1c(NC(=O)[C@@H](O)c2ccc(OCCN3CCOCC3)c3ccccc32)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000064298250 562704730 /nfs/dbraw/zinc/70/47/30/562704730.db2.gz NIVRDLOXIPGGEJ-MHZLTWQESA-N 0 0 585.723 3.901 1 0 KHAFRN C[C@H]([NH2+]C1CC1)c1cc(N2CCN(C)C2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c([O-])c(=O)n2c1 ZINC000064373521 562704916 /nfs/dbraw/zinc/70/49/16/562704916.db2.gz FQCFJEIUSGDRSI-HNNXBMFYSA-N 0 0 534.617 3.938 1 0 KHAFRN C[C@@H]1C[N@H+](C)CCN1c1cc(N2CCCOC2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c([O-])c(=O)n2c1 ZINC000064379507 562704898 /nfs/dbraw/zinc/70/48/98/562704898.db2.gz OCXNURLGADLXON-QGZVFWFLSA-N 0 0 564.643 3.741 1 0 KHAFRN CC(C)N(Cc1cn(Cc2ccccc2Br)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064409765 562705017 /nfs/dbraw/zinc/70/50/17/562705017.db2.gz LHUPFKFXYWSXLO-XMMPIXPASA-N 0 0 546.420 3.757 1 0 KHAFRN CC(C)N(Cc1cn(Cc2ccccc2Br)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064409766 562705023 /nfs/dbraw/zinc/70/50/23/562705023.db2.gz LHUPFKFXYWSXLO-DEOSSOPVSA-N 0 0 546.420 3.757 1 0 KHAFRN CC(C)N(Cc1cn(Cc2ccc(Cl)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416754 562705065 /nfs/dbraw/zinc/70/50/65/562705065.db2.gz LTXUHHSAVXTBLA-XMMPIXPASA-N 0 0 501.969 3.648 1 0 KHAFRN 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UQGYNEFLFMLCHE-RBBKRZOGSA-N 0 0 539.036 3.882 1 0 KHAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000064540056 562707661 /nfs/dbraw/zinc/70/76/61/562707661.db2.gz JYKYIEPRMTUCEV-UHFFFAOYSA-N 0 0 519.568 3.516 1 0 KHAFRN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2s1 ZINC000064540283 562707743 /nfs/dbraw/zinc/70/77/43/562707743.db2.gz IIYYQOZHFJZHJP-XMMPIXPASA-N 0 0 560.680 3.517 1 0 KHAFRN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N(CCN1CCOCC1)Cc1cccnc1 ZINC000064540325 562707739 /nfs/dbraw/zinc/70/77/39/562707739.db2.gz WOWBDVWWSBMFRA-UHFFFAOYSA-N 0 0 575.739 3.661 1 0 KHAFRN O=C([O-])c1cc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)ccc1O ZINC000064548603 562707883 /nfs/dbraw/zinc/70/78/83/562707883.db2.gz NPOJTLRAMYFXPE-IBGZPJMESA-N 0 0 520.611 3.760 1 0 KHAFRN O=C([O-])c1cc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)ccc1O ZINC000064548604 562707888 /nfs/dbraw/zinc/70/78/88/562707888.db2.gz NPOJTLRAMYFXPE-LJQANCHMSA-N 0 0 520.611 3.760 1 0 KHAFRN FC(F)(F)c1cnc(Nc2nc(N3CCOCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cn1 ZINC000064550083 562708211 /nfs/dbraw/zinc/70/82/11/562708211.db2.gz IKGYOHUWZJNCKZ-UHFFFAOYSA-N 0 0 540.472 3.885 1 0 KHAFRN COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 ZINC000064553605 562708245 /nfs/dbraw/zinc/70/82/45/562708245.db2.gz MZMIENIIBMNHDS-VVFBEHOQSA-N 0 0 533.669 3.795 1 0 KHAFRN NS(=O)(=O)c1cccnc1N1CCc2nc(N3CCCCC3)nc(Nc3ccc(C(F)(F)F)cc3)c2CC1 ZINC000064559131 562708353 /nfs/dbraw/zinc/70/83/53/562708353.db2.gz DLYRQZSRSNAJED-UHFFFAOYSA-N 0 0 547.607 3.877 1 0 KHAFRN CC(C)(CNC(=O)[C@H]1CCOCC1(C)C)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559596 562708415 /nfs/dbraw/zinc/70/84/15/562708415.db2.gz QAEOUQFGAJVUDB-OAQYLSRUSA-N 0 0 501.624 3.986 1 0 KHAFRN CC(C)(CNC(=O)[C@@H]1CCOCC1(C)C)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559598 562708432 /nfs/dbraw/zinc/70/84/32/562708432.db2.gz QAEOUQFGAJVUDB-NRFANRHFSA-N 0 0 501.624 3.986 1 0 KHAFRN CC[C@H](NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1ccn(C)n1 ZINC000064560861 562708532 /nfs/dbraw/zinc/70/85/32/562708532.db2.gz ABGBBQLBNIVODC-HNNXBMFYSA-N 0 0 523.899 3.783 1 0 KHAFRN CC[C@@H](NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1ccn(C)n1 ZINC000064560863 562708540 /nfs/dbraw/zinc/70/85/40/562708540.db2.gz ABGBBQLBNIVODC-OAHLLOKOSA-N 0 0 523.899 3.783 1 0 KHAFRN CC(C)(CNC(=O)C1(O)CCC(F)(F)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064573660 562708721 /nfs/dbraw/zinc/70/87/21/562708721.db2.gz SIVCFZOBMAVEST-UHFFFAOYSA-N 0 0 523.577 3.864 1 0 KHAFRN COCCn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(OC)cc3)(C(=O)OC)[C@@H]21 ZINC000064645887 562708950 /nfs/dbraw/zinc/70/89/50/562708950.db2.gz WPGLOQCKSKHFNB-SNLOLGNNSA-N 0 0 585.701 3.946 1 0 KHAFRN COCCn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccccc3)(C(=O)OC)[C@@H]21 ZINC000064705094 562709050 /nfs/dbraw/zinc/70/90/50/562709050.db2.gz SVMVGSYJVLWQIE-FSBXTFKPSA-N 0 0 555.675 3.937 1 0 KHAFRN Cc1cc(C2(c3cc(C)c(OC[C@H](O)CN4CCOCC4)c(C)c3)CCCC2)cc(C)c1OC[C@H](O)CN1CCOCC1 ZINC000064744421 562709142 /nfs/dbraw/zinc/70/91/42/562709142.db2.gz GBTLWIWGPDOCLQ-ROJLCIKYSA-N 0 0 596.809 3.924 1 0 KHAFRN Cc1cc(C2(c3cc(C)c(OC[C@@H](O)CN4CCOCC4)c(C)c3)CCCC2)cc(C)c1OC[C@H](O)CN1CCOCC1 ZINC000064744424 562709129 /nfs/dbraw/zinc/70/91/29/562709129.db2.gz GBTLWIWGPDOCLQ-MEKGRNQZSA-N 0 0 596.809 3.924 1 0 KHAFRN Cc1cc(C2(c3cc(C)c(OC[C@@H](O)CN4CCOCC4)c(C)c3)CCCC2)cc(C)c1OC[C@@H](O)CN1CCOCC1 ZINC000064744426 562709117 /nfs/dbraw/zinc/70/91/17/562709117.db2.gz GBTLWIWGPDOCLQ-ACHIHNKUSA-N 0 0 596.809 3.924 1 0 KHAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)NCCCCO ZINC000066058876 562709198 /nfs/dbraw/zinc/70/91/98/562709198.db2.gz ZWMWCOFFKCZTIU-UHFFFAOYSA-N 0 0 546.712 3.904 1 0 KHAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)NCCCO ZINC000066058877 562709206 /nfs/dbraw/zinc/70/92/06/562709206.db2.gz LSYMLMGBLFJMAX-UHFFFAOYSA-N 0 0 532.685 3.514 1 0 KHAFRN NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4ccc(Cl)cc4F)C3)cc1-2 ZINC000066066175 562709281 /nfs/dbraw/zinc/70/92/81/562709281.db2.gz LALWIFVAIZGAGQ-AWEZNQCLSA-N 0 0 503.003 3.929 1 0 KHAFRN NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4ccc(Cl)cc4F)C3)cc1-2 ZINC000066066176 562709300 /nfs/dbraw/zinc/70/93/00/562709300.db2.gz LALWIFVAIZGAGQ-CQSZACIVSA-N 0 0 503.003 3.929 1 0 KHAFRN Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCCC2)S(C)(=O)=O)c1 ZINC000066066482 562709442 /nfs/dbraw/zinc/70/94/42/562709442.db2.gz VRJSKXBQMBPFFF-UHFFFAOYSA-N 0 0 503.028 3.653 1 0 KHAFRN NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4cc(F)c(F)cc4F)C3)cc1-2 ZINC000066066516 562709410 /nfs/dbraw/zinc/70/94/10/562709410.db2.gz RPPHKENVINJTNJ-LBPRGKRZSA-N 0 0 504.538 3.554 1 0 KHAFRN NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4cc(F)c(F)cc4F)C3)cc1-2 ZINC000066066517 562709436 /nfs/dbraw/zinc/70/94/36/562709436.db2.gz RPPHKENVINJTNJ-GFCCVEGCSA-N 0 0 504.538 3.554 1 0 KHAFRN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1c1cnn(-c2ccccc2)c(=O)c1OC1CCCCC1 ZINC000066074119 562709715 /nfs/dbraw/zinc/70/97/15/562709715.db2.gz JIQPKWRFTBEWJX-JOCHJYFZSA-N 0 0 522.671 3.985 1 0 KHAFRN C[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1c1cnn(-c2ccccc2)c(=O)c1OC1CCCCC1 ZINC000066074120 562709733 /nfs/dbraw/zinc/70/97/33/562709733.db2.gz JIQPKWRFTBEWJX-QFIPXVFZSA-N 0 0 522.671 3.985 1 0 KHAFRN CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C)CSC1(C)C ZINC000066074214 562709706 /nfs/dbraw/zinc/70/97/06/562709706.db2.gz CEKCZEBUIWFKPE-ANHREMPLSA-N 0 0 638.875 3.691 1 0 KHAFRN CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(Cl)cc(Cl)c3)c(=O)c2OC2CCCC2)CC1 ZINC000066074539 562709819 /nfs/dbraw/zinc/70/98/19/562709819.db2.gz FYWQMMQDNIDDRZ-UHFFFAOYSA-N 0 0 515.463 3.721 1 0 KHAFRN Cc1cc2c(cnn2-c2ccc(NCC(N)=O)cc2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066074725 562709891 /nfs/dbraw/zinc/70/98/91/562709891.db2.gz AIUGLKITLOOGIK-NRFANRHFSA-N 0 0 534.686 3.935 1 0 KHAFRN CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 ZINC000066075485 562709994 /nfs/dbraw/zinc/70/99/94/562709994.db2.gz POAJOCQVTNBUNU-UHFFFAOYSA-N 0 0 501.653 3.810 1 0 KHAFRN Cc1cc2c(cnn2-c2cccc(NCC(N)=O)c2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066075682 562710049 /nfs/dbraw/zinc/71/00/49/562710049.db2.gz KXSTXTOZZCYTKR-NRFANRHFSA-N 0 0 534.686 3.935 1 0 KHAFRN CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1 ZINC000066076262 562710074 /nfs/dbraw/zinc/71/00/74/562710074.db2.gz JKFVPLUOUVZVCJ-MUAVYFROSA-N 0 0 577.528 3.525 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066076282 562710106 /nfs/dbraw/zinc/71/01/06/562710106.db2.gz KGSRISDMTVLXLK-UHXIBSLYSA-N 0 0 567.642 3.979 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066076283 562710126 /nfs/dbraw/zinc/71/01/26/562710126.db2.gz KGSRISDMTVLXLK-ULMGMKQISA-N 0 0 567.642 3.979 1 0 KHAFRN O=S(=O)(c1ccccc1NO)N1C[C@@H](n2cnc3c2nc(Cl)nc3Cl)OCc2ccccc21 ZINC000066076418 562710150 /nfs/dbraw/zinc/71/01/50/562710150.db2.gz GDDAHUYDQQBEEL-INIZCTEOSA-N 0 0 507.359 3.859 1 0 KHAFRN O=S(=O)(c1ccccc1NO)N1C[C@H](n2cnc3c2nc(Cl)nc3Cl)OCc2ccccc21 ZINC000066076420 562710131 /nfs/dbraw/zinc/71/01/31/562710131.db2.gz GDDAHUYDQQBEEL-MRXNPFEDSA-N 0 0 507.359 3.859 1 0 KHAFRN O=c1c(OC2CCCCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000066077399 562710269 /nfs/dbraw/zinc/71/02/69/562710269.db2.gz UXWIXISQOYNQFJ-UHFFFAOYSA-N 0 0 508.644 3.596 1 0 KHAFRN Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(F)(F)F ZINC000066077558 562710324 /nfs/dbraw/zinc/71/03/24/562710324.db2.gz RXMXTBQDOYSCNX-UHFFFAOYSA-N 0 0 509.916 3.512 1 0 KHAFRN CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3cccc(F)c3)CC4)c(Cl)cn2)CC1 ZINC000066078653 562710471 /nfs/dbraw/zinc/71/04/71/562710471.db2.gz ZOVDJSBYZCCKTL-UHFFFAOYSA-N 0 0 560.033 3.928 1 0 KHAFRN C[C@@H]1CN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCCC2)CCN1S(=O)(=O)Cc1ccccc1 ZINC000066078838 562710502 /nfs/dbraw/zinc/71/05/02/562710502.db2.gz KEZNHCHVWILAOL-JOCHJYFZSA-N 0 0 522.671 3.985 1 0 KHAFRN C[C@H]1CN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCCC2)CCN1S(=O)(=O)Cc1ccccc1 ZINC000066078839 562710522 /nfs/dbraw/zinc/71/05/22/562710522.db2.gz KEZNHCHVWILAOL-QFIPXVFZSA-N 0 0 522.671 3.985 1 0 KHAFRN Cc1cc(F)ccc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 ZINC000066079906 562710671 /nfs/dbraw/zinc/71/06/71/562710671.db2.gz IXKRFERDVUXQLW-DFBJGRDBSA-N 0 0 524.634 3.838 1 0 KHAFRN O=C(CN1c2ccccc2C(c2ccccc2)=N[C@@H](Cc2ccccc2)C1=O)N1CCN(c2ncccn2)CC1 ZINC000066080032 562710681 /nfs/dbraw/zinc/71/06/81/562710681.db2.gz KCBVPCZIUDKNEC-MHZLTWQESA-N 0 0 530.632 3.621 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000066097749 562710822 /nfs/dbraw/zinc/71/08/22/562710822.db2.gz NWGWUYKYEZYKDX-FESGPSSVSA-N 0 0 621.639 3.989 1 0 in-vivo KHAFRN COc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4cc(N5CCN(C)CC5)ncc4Cl)ccc2CC3)cc1 ZINC000066098160 562710907 /nfs/dbraw/zinc/71/09/07/562710907.db2.gz KAXKMTNJRBHOPY-UHFFFAOYSA-N 0 0 572.069 3.798 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000066098636 562710956 /nfs/dbraw/zinc/71/09/56/562710956.db2.gz PMEUWFLZRKCYOU-ZIEDGPKMSA-N 0 0 525.605 3.783 1 0 KHAFRN C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(OCc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 ZINC000066099224 562711057 /nfs/dbraw/zinc/71/10/57/562711057.db2.gz BGUXTVRZPYKBBN-KXBFYZLASA-N 0 0 549.452 3.643 1 0 KHAFRN CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000066099628 562711119 /nfs/dbraw/zinc/71/11/19/562711119.db2.gz XYWSGXJRLJYNDA-DJDPXSJISA-N 0 0 641.813 3.545 1 0 KHAFRN CC(=O)OC[C@H]1O[C@@H](n2c(Cl)nc3c2cc(Cl)c(Cl)c3Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000066099762 562711148 /nfs/dbraw/zinc/71/11/48/562711148.db2.gz PRZLSTCCWHPKBJ-GAEVZRCVSA-N 0 0 514.145 3.974 1 0 KHAFRN Brc1cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2ccncc2)CC1 ZINC000066099872 562711172 /nfs/dbraw/zinc/71/11/72/562711172.db2.gz NHYFIOPAILUTFS-UHFFFAOYSA-N 0 0 548.489 3.937 1 0 KHAFRN CC(=O)Oc1cc(OCC(=O)OCc2c(-c3ccccc3)no[n+]2[O-])cc2oc(-c3ccccc3)cc(=O)c12 ZINC000066100007 562711192 /nfs/dbraw/zinc/71/11/92/562711192.db2.gz YBBFTRDITKQNEC-UHFFFAOYSA-N 0 0 528.473 3.796 1 0 KHAFRN Nc1nc2sc(-c3ccc(F)cc3)nc2c(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)n1 ZINC000066101215 562711353 /nfs/dbraw/zinc/71/13/53/562711353.db2.gz XXNYVMZIPHCWCM-UHFFFAOYSA-N 0 0 543.422 3.965 1 0 KHAFRN COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000066102818 562711517 /nfs/dbraw/zinc/71/15/17/562711517.db2.gz KVSUQUWGPPVBJE-PXIJUOARSA-N 0 0 541.394 3.889 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@H](O)[C@H](C(=O)N(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 ZINC000066102820 562711510 /nfs/dbraw/zinc/71/15/10/562711510.db2.gz FJEAXHKGIMSRCN-GWNOIRNCSA-N 0 0 554.437 3.805 1 0 KHAFRN Nc1nc2sc(CCc3ccc(F)cc3)nc2c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000066103146 562711512 /nfs/dbraw/zinc/71/15/12/562711512.db2.gz YAXXQUZQCLSGFL-UHFFFAOYSA-N 0 0 527.025 3.974 1 0 KHAFRN Nc1nc2sc(CCOc3ccc(F)cc3)nc2c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000066103149 562711505 /nfs/dbraw/zinc/71/15/05/562711505.db2.gz JJAZUDGUCBHPLM-UHFFFAOYSA-N 0 0 543.024 3.810 1 0 KHAFRN COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3ccc(OC)cc3O[C@@]2(c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000066103555 562711569 /nfs/dbraw/zinc/71/15/69/562711569.db2.gz CXYFTILCFNZMRP-PXWZRECTSA-N 0 0 511.368 3.881 1 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@@]23CCC(=O)N(CCc2ccccn2)C3=N1 ZINC000066103613 562711570 /nfs/dbraw/zinc/71/15/70/562711570.db2.gz LCRDHXICDMMTDQ-NSJVFKKDSA-N 0 0 550.615 3.586 1 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@]23CCC(=O)N(CCc2ccccn2)C3=N1 ZINC000066103615 562711633 /nfs/dbraw/zinc/71/16/33/562711633.db2.gz LCRDHXICDMMTDQ-AKGWNBJDSA-N 0 0 550.615 3.586 1 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23CCC(=O)N(CCc2ccccn2)C3=N1 ZINC000066103618 562711637 /nfs/dbraw/zinc/71/16/37/562711637.db2.gz LCRDHXICDMMTDQ-GMCHKSTQSA-N 0 0 550.615 3.586 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(OCCO)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066104235 562711645 /nfs/dbraw/zinc/71/16/45/562711645.db2.gz BTJCAFWOEFQMRA-ULBKPHCJSA-N 0 0 535.549 3.597 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(COCCO)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066104237 562711644 /nfs/dbraw/zinc/71/16/44/562711644.db2.gz AWAORDNCJBYLPG-GVQBMFDGSA-N 0 0 549.576 3.735 1 0 KHAFRN COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(Br)cc(OC)c2OCCF)CC1 ZINC000066111625 562711871 /nfs/dbraw/zinc/71/18/71/562711871.db2.gz AIDTVWDAJAVXLC-AATRIKPKSA-N 0 0 536.442 3.923 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCC[C@H]3OCC[C@H]32)cc1 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/nfs/dbraw/zinc/71/19/88/562711988.db2.gz TWLMFIIBVTZWOS-MHZLTWQESA-N 0 0 509.597 3.748 1 0 KHAFRN COc1ccc2c(c1)O[C@@]1(c3ccc(Br)cc3)[C@H](c3ccccc3)[C@@H](C(=O)N(C)C)[C@@H](O)[C@@]21O ZINC000066112279 562711982 /nfs/dbraw/zinc/71/19/82/562711982.db2.gz KJLJJJNNTTZQLL-MMDQJTGWSA-N 0 0 524.411 3.796 1 0 KHAFRN O[C@@H]1CO[C@@H](n2cc(Cc3ccc(OCCOc4ccccc4)cc3)c3c2cccc3Cl)[C@H](O)[C@H]1O ZINC000066112707 562712094 /nfs/dbraw/zinc/71/20/94/562712094.db2.gz UBKMNRKVYJNQMB-KCPYNUOSSA-N 0 0 509.986 3.955 1 0 KHAFRN Nc1nc2sc(Cc3ccc(F)cc3)nc2c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000066112858 562712105 /nfs/dbraw/zinc/71/21/05/562712105.db2.gz AFPOCDSWTQIMCH-UHFFFAOYSA-N 0 0 512.998 3.779 1 0 KHAFRN [NH3+][C@@H](CC(=O)N1CCS[C@@H]1C(=O)NCc1ccc(O[C@@H](Cc2ccccc2)C(=O)[O-])cc1)Cc1cc(F)c(F)cc1F ZINC000066112898 562712155 /nfs/dbraw/zinc/71/21/55/562712155.db2.gz IDMQQXXSDWAOHU-BHAWFMJASA-N 0 0 601.647 3.656 1 0 KHAFRN 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ZINC000066124177 562712667 /nfs/dbraw/zinc/71/26/67/562712667.db2.gz GTBOVEUYOKQEIH-SNAWJCMRSA-N 0 0 506.416 3.914 1 0 KHAFRN COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(I)ccc2OCCF)CC1 ZINC000066124179 562712641 /nfs/dbraw/zinc/71/26/41/562712641.db2.gz IIRXNWGIJONFMR-SNAWJCMRSA-N 0 0 553.416 3.756 1 0 KHAFRN CCNC(=O)Nc1sc2cnccc2c1C(=O)N1CCN(C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136481 562713166 /nfs/dbraw/zinc/71/31/66/562713166.db2.gz MZSNSYOWBBNNTI-UHFFFAOYSA-N 0 0 554.639 3.775 1 0 KHAFRN CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCN(C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136515 562713188 /nfs/dbraw/zinc/71/31/88/562713188.db2.gz FAPSKAQRIVEKBW-UHFFFAOYSA-N 0 0 554.639 3.775 1 0 KHAFRN CCNC(=O)Nc1sc2ccncc2c1C(=O)N1CCN(C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136516 562713183 /nfs/dbraw/zinc/71/31/83/562713183.db2.gz PYKWZMOZZZHYEK-UHFFFAOYSA-N 0 0 554.639 3.775 1 0 KHAFRN CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCN(C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136518 562713157 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/nfs/dbraw/zinc/71/41/68/562714168.db2.gz JHLQAFKRXZRDIZ-GOSISDBHSA-N 0 0 507.612 3.827 1 0 KHAFRN Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)n1)C(C)C ZINC000066167000 562714216 /nfs/dbraw/zinc/71/42/16/562714216.db2.gz AAXNCGQOXAXDOW-UHFFFAOYSA-N 0 0 511.648 3.808 1 0 in-vitro KHAFRN COC(=O)CCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000066251058 562714413 /nfs/dbraw/zinc/71/44/13/562714413.db2.gz RNZLNSKMGWMDKI-UHFFFAOYSA-N 0 0 562.711 3.725 1 0 KHAFRN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCC(CCO)CC2)CN3c2ccccc2)cc1 ZINC000066251344 562714476 /nfs/dbraw/zinc/71/44/76/562714476.db2.gz DKZGWIZRRMCVOY-UHFFFAOYSA-N 0 0 560.739 3.886 1 0 KHAFRN CS(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066251474 562714477 /nfs/dbraw/zinc/71/44/77/562714477.db2.gz JBNIQURVWZJAOQ-UHFFFAOYSA-N 0 0 504.697 3.513 1 0 KHAFRN COc1cc(CN2C(=O)[C@@H]3CS[C@@]4(c5cc(C)ccc5N(C(=O)c5ccccc5)C4=O)N3C2=O)cc(OC)c1OC ZINC000066251492 562714465 /nfs/dbraw/zinc/71/44/65/562714465.db2.gz DMBCLAMJHFLFNP-SMSORMJASA-N 0 0 573.627 3.940 1 0 KHAFRN COC(=O)CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066251593 562714518 /nfs/dbraw/zinc/71/45/18/562714518.db2.gz LXFWQMMSBHYTDN-UHFFFAOYSA-N 0 0 560.695 3.695 1 0 KHAFRN CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccsc2)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000066251654 562714551 /nfs/dbraw/zinc/71/45/51/562714551.db2.gz ZXSRSYYJGDRHIH-RVQWDWFMSA-N 0 0 588.579 3.524 1 0 KHAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)OCCCN3C(=O)COC)ncc1Cl ZINC000066251670 562714535 /nfs/dbraw/zinc/71/45/35/562714535.db2.gz DNRDWKZUFWVTKE-UHFFFAOYSA-N 0 0 514.945 3.878 1 0 KHAFRN CCN(CC)c1ccc2c(COC(=O)N3C[C@@H](O)[C@H](OC(C)=O)[C@@H]3Cc3ccc(OC)cc3)cc(=O)oc2c1 ZINC000066252092 562714644 /nfs/dbraw/zinc/71/46/44/562714644.db2.gz VSUXLBGXTZPJIH-BXTSTYNKSA-N 0 0 538.597 3.504 1 0 KHAFRN NC(=O)[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C5CCCCC5)cc4)CC3)C2=O)C1 ZINC000066252095 562714608 /nfs/dbraw/zinc/71/46/08/562714608.db2.gz UCYXRVXHBBQGPK-NDEPHWFRSA-N 0 0 585.749 3.739 1 0 KHAFRN NC(=O)[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C5CCCCC5)cc4)CC3)C2=O)C1 ZINC000066252096 562714652 /nfs/dbraw/zinc/71/46/52/562714652.db2.gz UCYXRVXHBBQGPK-MUUNZHRXSA-N 0 0 585.749 3.739 1 0 KHAFRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1OC ZINC000066252580 562714817 /nfs/dbraw/zinc/71/48/17/562714817.db2.gz NFWQLYOXHONPIY-GJUCURFBSA-N 0 0 604.658 3.935 1 0 KHAFRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1OC ZINC000066252581 562714812 /nfs/dbraw/zinc/71/48/12/562714812.db2.gz NFWQLYOXHONPIY-WMIGZNRFSA-N 0 0 604.658 3.935 1 0 KHAFRN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)c1 ZINC000066252582 562714805 /nfs/dbraw/zinc/71/48/05/562714805.db2.gz LCOOSQBBHCDKIK-OIEFUKHVSA-N 0 0 604.658 3.935 1 0 KHAFRN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)c1 ZINC000066252583 562714822 /nfs/dbraw/zinc/71/48/22/562714822.db2.gz LCOOSQBBHCDKIK-XWSJTPCUSA-N 0 0 604.658 3.935 1 0 KHAFRN O=C(CCN1CCOCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2oc3ccccc3c21 ZINC000066252606 562714807 /nfs/dbraw/zinc/71/48/07/562714807.db2.gz QGOANDJDWKGVHM-UHFFFAOYSA-N 0 0 553.619 3.758 1 0 KHAFRN COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000066252662 562714827 /nfs/dbraw/zinc/71/48/27/562714827.db2.gz YVGLMLHIGZDTGR-FVQHSINGSA-N 0 0 537.609 3.550 1 0 KHAFRN CS(=O)(=O)NCCCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066252693 562714786 /nfs/dbraw/zinc/71/47/86/562714786.db2.gz XYWWPZSVIDBGKF-UHFFFAOYSA-N 0 0 637.847 3.851 1 0 KHAFRN COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CCN(CCS(C)(=O)=O)CC3)ncc1Cl ZINC000066252816 562714956 /nfs/dbraw/zinc/71/49/56/562714956.db2.gz HTOHTWMWPRZGEK-UHFFFAOYSA-N 0 0 617.172 3.916 1 0 KHAFRN Cc1ccc(S(=O)(=O)C[C@H]2O[C@@H](c3ccc(Cl)c(Cc4ncc(-c5ccco5)s4)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000066252837 562714975 /nfs/dbraw/zinc/71/49/75/562714975.db2.gz IZJGHHDMKNZABK-TVMVJRKWSA-N 0 0 576.092 3.952 1 0 KHAFRN O=C(C[C@@H](c1ccc(Br)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258513 562715011 /nfs/dbraw/zinc/71/50/11/562715011.db2.gz OMYWQKYNBCHVMO-QFIPXVFZSA-N 0 0 502.384 3.935 1 0 KHAFRN O=C(C[C@H](c1ccc(Br)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258514 562715009 /nfs/dbraw/zinc/71/50/09/562715009.db2.gz OMYWQKYNBCHVMO-JOCHJYFZSA-N 0 0 502.384 3.935 1 0 KHAFRN CC(C)(C)OC(=O)NCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000066258652 562715046 /nfs/dbraw/zinc/71/50/46/562715046.db2.gz PUURQYDWRGSCDC-UHFFFAOYSA-N 0 0 577.726 3.864 1 0 KHAFRN CC(C)(C)OC(=O)NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000066258653 562715070 /nfs/dbraw/zinc/71/50/70/562715070.db2.gz HMCYBGTVGFGTSE-UHFFFAOYSA-N 0 0 591.753 3.906 1 0 KHAFRN COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1I ZINC000066258783 562715089 /nfs/dbraw/zinc/71/50/89/562715089.db2.gz SGOIAECBVZWYSH-UHFFFAOYSA-N 0 0 514.268 3.813 1 0 KHAFRN O=C(CN1CCN(CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259174 562715190 /nfs/dbraw/zinc/71/51/90/562715190.db2.gz PSVOAFOGOJJKFG-UHFFFAOYSA-N 0 0 597.741 3.948 1 0 KHAFRN Nc1c(C(=O)NCCCOCCCCOCCCNC(=O)c2cnc3ccccc3c2N)cnc2ccccc12 ZINC000066259237 562715198 /nfs/dbraw/zinc/71/51/98/562715198.db2.gz XHMASXKNIKRKLD-UHFFFAOYSA-N 0 0 544.656 3.701 1 0 KHAFRN O=C(C[C@@H](c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 ZINC000066259299 562715215 /nfs/dbraw/zinc/71/52/15/562715215.db2.gz GTMGZARQAALARG-DEOSSOPVSA-N 0 0 541.023 3.806 1 0 KHAFRN O=C(C[C@H](c1ccc(Cl)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 ZINC000066259300 562715212 /nfs/dbraw/zinc/71/52/12/562715212.db2.gz GTMGZARQAALARG-XMMPIXPASA-N 0 0 541.023 3.806 1 0 KHAFRN O=C(C[C@@H](c1ccc(Br)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 ZINC000066259301 562715187 /nfs/dbraw/zinc/71/51/87/562715187.db2.gz PETADPDDBRHSAU-DEOSSOPVSA-N 0 0 585.474 3.915 1 0 KHAFRN O=C(C[C@H](c1ccc(Br)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 ZINC000066259302 562715211 /nfs/dbraw/zinc/71/52/11/562715211.db2.gz PETADPDDBRHSAU-XMMPIXPASA-N 0 0 585.474 3.915 1 0 KHAFRN CC(=O)Oc1cc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc(OC(C)=O)c1OC(C)=O ZINC000066259366 562715250 /nfs/dbraw/zinc/71/52/50/562715250.db2.gz CNTUKMBRKQOMOO-VQEXNLMWSA-N 0 0 550.516 3.908 1 0 KHAFRN CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2cccs2)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000066259399 562715238 /nfs/dbraw/zinc/71/52/38/562715238.db2.gz VDAQNWUBPMRFAZ-CEPWYIEDSA-N 0 0 588.579 3.524 1 0 KHAFRN CN1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)CC1 ZINC000066259511 562715270 /nfs/dbraw/zinc/71/52/70/562715270.db2.gz ZULRBZHDVNLEGO-UHFFFAOYSA-N 0 0 568.703 3.752 1 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CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000068196904 562715873 /nfs/dbraw/zinc/71/58/73/562715873.db2.gz QJYYBJJIRLBFHF-UHFFFAOYSA-N 0 0 508.575 3.710 1 0 KHAFRN O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198646 562715946 /nfs/dbraw/zinc/71/59/46/562715946.db2.gz JBMWLVNTMXBRFG-VCTRWQRLSA-N 0 0 583.639 3.803 1 0 KHAFRN O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198648 562715948 /nfs/dbraw/zinc/71/59/48/562715948.db2.gz JBMWLVNTMXBRFG-CMVGPNDKSA-N 0 0 583.639 3.803 1 0 KHAFRN C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198651 562715950 /nfs/dbraw/zinc/71/59/50/562715950.db2.gz ZNURWERVOVVQIR-TWJUONSBSA-N 0 0 597.666 3.977 1 0 KHAFRN C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198653 562715944 /nfs/dbraw/zinc/71/59/44/562715944.db2.gz ZNURWERVOVVQIR-UZNNEEJFSA-N 0 0 597.666 3.977 1 0 KHAFRN Cc1c(C(=O)NCCN2CCOCC2)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12 ZINC000068199780 562715962 /nfs/dbraw/zinc/71/59/62/562715962.db2.gz RRSGLFRYYGSFFX-UHFFFAOYSA-N 0 0 515.611 3.502 1 0 KHAFRN O=C(COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1)NCCO ZINC000068200447 562715919 /nfs/dbraw/zinc/71/59/19/562715919.db2.gz RJTYENYLOGJRJE-UHFFFAOYSA-N 0 0 505.387 3.555 1 0 KHAFRN Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2c1CN(C(=O)NCC(F)(F)F)C2 ZINC000068201335 562715936 /nfs/dbraw/zinc/71/59/36/562715936.db2.gz BQVOMOZXISVWCA-UHFFFAOYSA-N 0 0 513.883 3.690 1 0 KHAFRN CC(C)=C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@H]12 ZINC000068204725 562715991 /nfs/dbraw/zinc/71/59/91/562715991.db2.gz UTDIUZBVSSNGOU-QGNCETNGSA-N 0 0 597.757 3.607 1 0 KHAFRN COCCCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c3cc(-c3cccc(OC)c3)cc2C(N)=O)CC1 ZINC000068244845 562716091 /nfs/dbraw/zinc/71/60/91/562716091.db2.gz WPRFHYRCJKVGBS-UHFFFAOYSA-N 0 0 500.599 3.890 1 0 KHAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000068245738 562716076 /nfs/dbraw/zinc/71/60/76/562716076.db2.gz REOREADHBOUIHF-XMMPIXPASA-N 0 0 509.006 3.617 1 0 KHAFRN CC(C)n1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)oc1=O ZINC000068246127 562716155 /nfs/dbraw/zinc/71/61/55/562716155.db2.gz URSFXHYCOQKUPP-SKCUWOTOSA-N 0 0 539.575 3.735 1 0 KHAFRN CS(=O)(=O)CCN1CCC(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000068247674 562716165 /nfs/dbraw/zinc/71/61/65/562716165.db2.gz VAUHRGCAUAQDDS-UHFFFAOYSA-N 0 0 553.710 3.767 1 0 KHAFRN COC(=O)[C@H](CCCCNC(=O)Nc1ccc(Cl)cc1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000069061778 562716310 /nfs/dbraw/zinc/71/63/10/562716310.db2.gz AHQNYBDJLAJSQQ-NRFANRHFSA-N 0 0 528.009 3.549 1 0 KHAFRN C/C=C(/C)C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C[C@]2(C)[C@@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C ZINC000069482443 560078364 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CC(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000071281141 562716657 /nfs/dbraw/zinc/71/66/57/562716657.db2.gz QJHLLGCMNXHDQT-FQEVSTJZSA-N 0 0 515.454 3.772 1 0 KHAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2ccc(F)cc2)c1C3 ZINC000071281279 562716641 /nfs/dbraw/zinc/71/66/41/562716641.db2.gz KVCLFZXWKIZPFW-LJAQVGFWSA-N 0 0 514.509 3.848 1 0 KHAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2ccc(F)cc2)c1C3 ZINC000071281280 562716652 /nfs/dbraw/zinc/71/66/52/562716652.db2.gz KVCLFZXWKIZPFW-GDLZYMKVSA-N 0 0 514.509 3.848 1 0 KHAFRN O=CN(O)C1(CS(=O)(=O)N2CCC(CCc3ccc(F)cc3C(F)(F)F)CC2)CCN(C(=O)C2CCC2)CC1 ZINC000071281542 562716724 /nfs/dbraw/zinc/71/67/24/562716724.db2.gz DNZQEIOYACTIFD-UHFFFAOYSA-N 0 0 577.641 3.828 1 0 KHAFRN Cc1cc(C(F)(F)F)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 ZINC000071282260 562716824 /nfs/dbraw/zinc/71/68/24/562716824.db2.gz DWKKNTWUNOATQS-UHFFFAOYSA-N 0 0 573.678 3.997 1 0 KHAFRN CCCCCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1 ZINC000071294344 562716858 /nfs/dbraw/zinc/71/68/58/562716858.db2.gz LOWADNGIIGYMOB-QNMIOERPSA-N 0 0 521.570 3.986 1 0 KHAFRN Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 ZINC000071294626 562716952 /nfs/dbraw/zinc/71/69/52/562716952.db2.gz SIXCEPSXNLUZTE-UHFFFAOYSA-N 0 0 540.126 3.632 1 0 in-vitro KHAFRN CCCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1 ZINC000071295103 562717155 /nfs/dbraw/zinc/71/71/55/562717155.db2.gz KFYBQAPIMYJCGR-LVEBQJTPSA-N 0 0 507.543 3.509 1 0 KHAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2cccs2)c1C3 ZINC000071295276 562717232 /nfs/dbraw/zinc/71/72/32/562717232.db2.gz XDASJFKUERVPIZ-MHZLTWQESA-N 0 0 502.548 3.771 1 0 KHAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2cccs2)c1C3 ZINC000071295277 562717233 /nfs/dbraw/zinc/71/72/33/562717233.db2.gz XDASJFKUERVPIZ-HHHXNRCGSA-N 0 0 502.548 3.771 1 0 KHAFRN CCCCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1 ZINC000071295407 562717280 /nfs/dbraw/zinc/71/72/80/562717280.db2.gz RFEUBQAKWNFXQN-LVEBQJTPSA-N 0 0 507.543 3.596 1 0 KHAFRN CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc(OC)cc1 ZINC000071295613 562717285 /nfs/dbraw/zinc/71/72/85/562717285.db2.gz GFCNJCQTQZDZLO-PMERELPUSA-N 0 0 526.545 3.718 1 0 KHAFRN CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc(OC)cc1 ZINC000071295614 562717315 /nfs/dbraw/zinc/71/73/15/562717315.db2.gz GFCNJCQTQZDZLO-SSEXGKCCSA-N 0 0 526.545 3.718 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCC3CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000071296224 562717468 /nfs/dbraw/zinc/71/74/68/562717468.db2.gz IXALHEGOJMWCNF-QQJYNPJZSA-N 0 0 511.527 3.553 1 0 KHAFRN CC(C)(C)OC(=O)N1CCC(Sc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000071296296 562717483 /nfs/dbraw/zinc/71/74/83/562717483.db2.gz KRCCTTRJUJRZKA-UHFFFAOYSA-N 0 0 507.613 3.850 1 0 in-vitro KHAFRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2[C@@H]1Cc1c3ccccc3[nH]c1[C@H]2c1ccc2c(c1)OCO2 ZINC000071296684 562717623 /nfs/dbraw/zinc/71/76/23/562717623.db2.gz AOUKHFHMCXSQCZ-VYKTZEHYSA-N 0 0 504.546 3.962 1 0 KHAFRN C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc21)C(N)=O ZINC000071296736 562717606 /nfs/dbraw/zinc/71/76/06/562717606.db2.gz XWCIEJNXKGXQCZ-YZTGKPPRSA-N 0 0 563.537 3.669 1 0 in-vitro KHAFRN Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCN3CC(F)(F)C3)n1)CN(C(=O)NC1CCC1)C2 ZINC000071316515 562717983 /nfs/dbraw/zinc/71/79/83/562717983.db2.gz XTTVAFSDZYWZOX-UHFFFAOYSA-N 0 0 513.376 3.940 1 0 KHAFRN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(NC(C)(C)C)n4)CC3)c(F)c21 ZINC000071316713 562717990 /nfs/dbraw/zinc/71/79/90/562717990.db2.gz DCMZSRAXQPGCQC-UHFFFAOYSA-N 0 0 500.550 3.633 1 0 KHAFRN CCOC(=O)c1ccc([C@@H]2C[C@@]3(C)[C@@H](CC[C@@]4(C)[C@H](C(=O)OC)C[C@H](OC(C)=O)C(=O)[C@@H]43)C(=O)O2)cc1C(=O)OCC ZINC000071316847 562718053 /nfs/dbraw/zinc/71/80/53/562718053.db2.gz YBRXYXZMDSIZKV-JUGOEGLNSA-N 0 0 586.634 3.761 1 0 KHAFRN CN(c1ccc(Cl)c(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 ZINC000071317015 562718082 /nfs/dbraw/zinc/71/80/82/562718082.db2.gz PPAUQWVFTKFTKY-UHFFFAOYSA-N 0 0 511.026 3.807 1 0 KHAFRN CCCCNc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(CC)c4c3F)CC2)cc(C)[nH+]1 ZINC000071317082 562718079 /nfs/dbraw/zinc/71/80/79/562718079.db2.gz OHKOVSNUXKAVQN-UHFFFAOYSA-N 0 0 500.550 3.635 1 0 KHAFRN O=C(NCCNC(=O)c1ccc(OCC(F)(F)F)nc1)c1[nH]c(-c2ccccc2)nc1C(F)(F)F ZINC000071317308 562718158 /nfs/dbraw/zinc/71/81/58/562718158.db2.gz ISJOQUCYPIZCNB-UHFFFAOYSA-N 0 0 501.387 3.591 1 0 KHAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCCc2ccccc2)cc1 ZINC000071317920 562718343 /nfs/dbraw/zinc/71/83/43/562718343.db2.gz OAANXGFVSFARSW-MUUNZHRXSA-N 0 0 537.682 3.505 1 0 KHAFRN O=C1CN(c2ccc(CN3CCOCC3)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071317962 562718355 /nfs/dbraw/zinc/71/83/55/562718355.db2.gz YPASXLMMOKCJMY-MXBOTTGLSA-N 0 0 550.615 3.618 1 0 KHAFRN COc1cc(O)c2c(c1Br)C(=O)O[C@H](c1ccccc1)C(=O)NCC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000071318001 562718427 /nfs/dbraw/zinc/71/84/27/562718427.db2.gz XBBRGFYIAVFJIA-YCRPNKLZSA-N 0 0 607.508 3.774 1 0 KHAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)N(C)Cc2ccccc2)cc1 ZINC000071318234 562718459 /nfs/dbraw/zinc/71/84/59/562718459.db2.gz BLRDRTGXLODUAE-MUUNZHRXSA-N 0 0 537.682 3.804 1 0 KHAFRN CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncnc2c1cnn2-c1ccc(S(C)(=O)=O)cc1 ZINC000071319039 562718708 /nfs/dbraw/zinc/71/87/08/562718708.db2.gz VKOBKLHGFJEPIN-UHFFFAOYSA-N 0 0 514.652 3.692 1 0 KHAFRN CCOC(=O)CCNC(=O)[C@@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071319093 562718749 /nfs/dbraw/zinc/71/87/49/562718749.db2.gz WYVITPRFYJWSHW-VWLOTQADSA-N 0 0 569.658 3.621 1 0 KHAFRN CCOC(=O)CCNC(=O)[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071319094 562718717 /nfs/dbraw/zinc/71/87/17/562718717.db2.gz WYVITPRFYJWSHW-RUZDIDTESA-N 0 0 569.658 3.621 1 0 KHAFRN Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCCOCC3)c2)n1 ZINC000071319334 562718768 /nfs/dbraw/zinc/71/87/68/562718768.db2.gz YBAPRJNUZFLUMB-UHFFFAOYSA-N 0 0 504.635 3.852 1 0 KHAFRN O=C1c2cc(S(=O)(=O)N3CC[C@H]3COc3ccc(F)cc3F)ccc2N(Cc2ccc(OCCF)cc2)C1=O ZINC000071329215 562718821 /nfs/dbraw/zinc/71/88/21/562718821.db2.gz SNETYMFZDXAJJJ-IBGZPJMESA-N 0 0 560.550 3.885 1 0 KHAFRN Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2-c2cnn(C)c2)cn1 ZINC000071329237 562718840 /nfs/dbraw/zinc/71/88/40/562718840.db2.gz YSXBDGQITSROHI-UHFFFAOYSA-N 0 0 533.600 3.592 1 0 KHAFRN O=S1(=O)C[C@H](NCc2cc(Cl)cc(Cl)c2)[C@@H](O)[C@H](Cc2ccc(O)c(Br)c2)C1 ZINC000071329245 562718818 /nfs/dbraw/zinc/71/88/18/562718818.db2.gz DPPDCMCLHYHXQI-FMEYXAORSA-N 0 0 509.249 3.568 1 0 KHAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000071329330 562718884 /nfs/dbraw/zinc/71/88/84/562718884.db2.gz YXWNEBUJSSEVPD-MUUNZHRXSA-N 0 0 537.682 3.771 1 0 KHAFRN O=C1c2cc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)ccc2N(Cc2ccc(OCCOCCF)cc2)C1=O ZINC000071329572 562718957 /nfs/dbraw/zinc/71/89/57/562718957.db2.gz BKPXQFIGDXODGX-QFIPXVFZSA-N 0 0 568.623 3.623 1 0 KHAFRN O=C1c2cc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)ccc2N(Cc2ccc(OCCOCCOCCF)cc2)C1=O ZINC000071329600 562718930 /nfs/dbraw/zinc/71/89/30/562718930.db2.gz RHNPIGHUWVOJIW-DEOSSOPVSA-N 0 0 612.676 3.640 1 0 KHAFRN O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)CC1CC1 ZINC000071329665 562718996 /nfs/dbraw/zinc/71/89/96/562718996.db2.gz MIGAYPGLYCKTFK-UHFFFAOYSA-N 0 0 520.081 3.740 1 0 KHAFRN CCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C ZINC000071329668 562718981 /nfs/dbraw/zinc/71/89/81/562718981.db2.gz KKSHELMUSUNFMM-UHFFFAOYSA-N 0 0 504.635 3.852 1 0 KHAFRN CCCCNc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(CC)c4c3F)CC2)nc(NCCCC)[nH+]1 ZINC000071330955 562719214 /nfs/dbraw/zinc/71/92/14/562719214.db2.gz GAEHUOCUVCNBMW-UHFFFAOYSA-N 0 0 558.634 3.933 1 0 KHAFRN COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc([C@H]3OC[C@H]4[C@@H]3CO[C@@H]4c3ccc(O)c(OC)c3)cc2OC)ccc1O ZINC000071330957 562719237 /nfs/dbraw/zinc/71/92/37/562719237.db2.gz DVTIDVKFFJRCAB-PEVOTWPUSA-N 0 0 584.618 3.681 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)C3CCCC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071331058 562719225 /nfs/dbraw/zinc/71/92/25/562719225.db2.gz JIOPQIMZKLCFGD-UHFFFAOYSA-N 0 0 507.056 3.602 1 0 KHAFRN O=C(C(=O)N1CCOCC1)c1cn(CCCCCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)c2ccccc12 ZINC000071331399 562719264 /nfs/dbraw/zinc/71/92/64/562719264.db2.gz KHCCYKHZJIUTNV-UHFFFAOYSA-N 0 0 598.700 3.940 1 0 KHAFRN O=C(C(=O)N1CCOCC1)c1cn(Cc2ccc(Cn3cc(C(=O)C(=O)N4CCOCC4)c4ccccc43)cc2)c2ccccc12 ZINC000071332833 562719458 /nfs/dbraw/zinc/71/94/58/562719458.db2.gz JFRZGVJPZBQBTH-UHFFFAOYSA-N 0 0 618.690 3.776 1 0 KHAFRN CC(C)S(=O)(=O)CCO[C@@]12COc3c(F)ccc(F)c3[C@]1(S(=O)(=O)c1ccc(Cl)cc1)CC[C@@H](O)C2 ZINC000071333154 562719467 /nfs/dbraw/zinc/71/94/67/562719467.db2.gz VYANNUDDVQJXLX-GAZXMLTASA-N 0 0 565.056 3.803 1 0 KHAFRN COc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000071333638 562719510 /nfs/dbraw/zinc/71/95/10/562719510.db2.gz NZPYWYNYKTVXIG-QLBJFCOMSA-N 0 0 529.058 3.703 1 0 KHAFRN O=C(NCc1ccc(Cc2ccsc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000071333686 562719492 /nfs/dbraw/zinc/71/94/92/562719492.db2.gz JYOSRYVNCDIZDP-YPAWHYETSA-N 0 0 505.061 3.756 1 0 KHAFRN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2 ZINC000071333844 562719481 /nfs/dbraw/zinc/71/94/81/562719481.db2.gz LELQFMOAGQJJJA-CDAGOOBWSA-N 0 0 605.091 3.616 1 0 KHAFRN CCS(=O)(=O)CCO[C@@]12COc3c(F)ccc(F)c3[C@]1(S(=O)(=O)c1ccc(Cl)cc1)CCC(=O)C2 ZINC000071334118 562719553 /nfs/dbraw/zinc/71/95/53/562719553.db2.gz BZIUEJAJDLXUGD-XZOQPEGZSA-N 0 0 549.013 3.623 1 0 KHAFRN CN(C)S(=O)(=O)CCO[C@]12CCCC[C@@]1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2 ZINC000071340272 562719680 /nfs/dbraw/zinc/71/96/80/562719680.db2.gz KJVVDYAISIEECM-XZOQPEGZSA-N 0 0 550.045 3.901 1 0 KHAFRN CC(C)(C)CNC(=O)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000071340322 562719737 /nfs/dbraw/zinc/71/97/37/562719737.db2.gz OVCXKSDCMYJEHB-JOCHJYFZSA-N 0 0 506.068 3.976 1 0 KHAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccc(N4CCOCC4)nc3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071340336 562719712 /nfs/dbraw/zinc/71/97/12/562719712.db2.gz HYJLKRSTZKHDOC-QFIPXVFZSA-N 0 0 535.599 3.785 1 0 KHAFRN O=C(C(=O)N1CCOCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)c2ccccc12 ZINC000071340649 562719804 /nfs/dbraw/zinc/71/98/04/562719804.db2.gz LUJUKLCSZHEFQE-UHFFFAOYSA-N 0 0 584.673 3.550 1 0 KHAFRN O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000071340689 562719806 /nfs/dbraw/zinc/71/98/06/562719806.db2.gz HSZIWISHLSFWJO-YTTGFXLKSA-N 0 0 561.704 3.745 1 0 KHAFRN O=C(N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000071340690 562719819 /nfs/dbraw/zinc/71/98/19/562719819.db2.gz HSZIWISHLSFWJO-DNRRNLOBSA-N 0 0 561.704 3.745 1 0 KHAFRN O=C(N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000071340691 562719820 /nfs/dbraw/zinc/71/98/20/562719820.db2.gz HSZIWISHLSFWJO-QRVMEDCPSA-N 0 0 561.704 3.745 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)C3Cc4ccccc4C3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071340766 562719818 /nfs/dbraw/zinc/71/98/18/562719818.db2.gz OMTQCRVAFSARLN-UHFFFAOYSA-N 0 0 555.100 3.827 1 0 KHAFRN CNS(=O)(=O)CCO[C@]12CCCC[C@@]1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2 ZINC000071340812 562719856 /nfs/dbraw/zinc/71/98/56/562719856.db2.gz FTJIXLBXYOGQIX-FCHUYYIVSA-N 0 0 536.018 3.558 1 0 KHAFRN Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000071340924 562719866 /nfs/dbraw/zinc/71/98/66/562719866.db2.gz FYWKHBUXBKRZTF-LGPLSSKUSA-N 0 0 553.084 3.810 1 0 KHAFRN Cc1nc2ccccc2n1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000071341123 562719891 /nfs/dbraw/zinc/71/98/91/562719891.db2.gz RYVDXBBSZXFYKP-ZRJLEYOISA-N 0 0 533.028 3.689 1 0 KHAFRN Cc1nc2ccccc2n1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000071341124 562719894 /nfs/dbraw/zinc/71/98/94/562719894.db2.gz RYVDXBBSZXFYKP-WYMJOSIYSA-N 0 0 533.028 3.689 1 0 KHAFRN CS(=O)(=O)NCCO[C@]12CCCC[C@@]1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2 ZINC000071341156 562719907 /nfs/dbraw/zinc/71/99/07/562719907.db2.gz BVKYWNPVEXRMSV-FCHUYYIVSA-N 0 0 536.018 3.558 1 0 KHAFRN CC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C ZINC000071341267 562719928 /nfs/dbraw/zinc/71/99/28/562719928.db2.gz VXYHQHOVSPABTG-KJYRXAALSA-N 0 0 506.724 3.945 1 0 KHAFRN CCS(=O)(=O)CCO[C@@]12COc3c(F)ccc(F)c3[C@]1(S(=O)(=O)c1ccc(Cl)cc1)CCC1(C2)OCCO1 ZINC000071341314 562719913 /nfs/dbraw/zinc/71/99/13/562719913.db2.gz KWPUNADVUWIPSI-UKILVPOCSA-N 0 0 593.066 3.797 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccsc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341444 562719954 /nfs/dbraw/zinc/71/99/54/562719954.db2.gz FECPJVBKHNBMLT-UHFFFAOYSA-N 0 0 535.091 3.921 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)CCc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341483 562719984 /nfs/dbraw/zinc/71/99/84/562719984.db2.gz CBWJSACBEYWLCR-UHFFFAOYSA-N 0 0 543.089 3.902 1 0 KHAFRN O=c1c(-c2ccc(F)cc2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000071341563 562720002 /nfs/dbraw/zinc/72/00/02/562720002.db2.gz YKTKWCRGVSBVGY-UHFFFAOYSA-N 0 0 504.587 3.691 1 0 KHAFRN O=C(NC1CCCC1)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000071341625 562720022 /nfs/dbraw/zinc/72/00/22/562720022.db2.gz AWFZUNJHXOTVKR-HSZRJFAPSA-N 0 0 504.052 3.872 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341824 562720062 /nfs/dbraw/zinc/72/00/62/562720062.db2.gz RWVHGDPZQYEPMD-UHFFFAOYSA-N 0 0 515.035 3.718 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)c3ccsc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341839 562720074 /nfs/dbraw/zinc/72/00/74/562720074.db2.gz JCZBFTNVJOWCRH-UHFFFAOYSA-N 0 0 521.064 3.780 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341988 562720108 /nfs/dbraw/zinc/72/01/08/562720108.db2.gz YWOFENKHDBPMIH-UHFFFAOYSA-N 0 0 547.052 3.998 1 0 KHAFRN COc1cc([C@@H](O)[C@H](CO)Oc2ccc([C@@H]3OC[C@H]4[C@H](c5cc(OC)c(O)c(OC)c5)OC[C@@H]34)cc2OC)ccc1O ZINC000071388869 562720125 /nfs/dbraw/zinc/72/01/25/562720125.db2.gz PFZFCRCFYYFTPE-RWMYVIIASA-N 0 0 584.618 3.681 1 0 KHAFRN O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000071388877 562720095 /nfs/dbraw/zinc/72/00/95/562720095.db2.gz YXAPAHXXQYBYMZ-SANMLTNESA-N 0 0 550.107 3.509 1 0 KHAFRN O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000071388878 562720078 /nfs/dbraw/zinc/72/00/78/562720078.db2.gz YXAPAHXXQYBYMZ-AREMUKBSSA-N 0 0 550.107 3.509 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071418569 562720223 /nfs/dbraw/zinc/72/02/23/562720223.db2.gz NNOUVVCIUCZWGO-UHFFFAOYSA-N 0 0 529.062 3.859 1 0 KHAFRN CN(C)C(=O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071420787 562720224 /nfs/dbraw/zinc/72/02/24/562720224.db2.gz KCZVCEFNXVMBEO-DYESRHJHSA-N 0 0 578.624 3.567 1 0 KHAFRN CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000072100125 562720239 /nfs/dbraw/zinc/72/02/39/562720239.db2.gz IVTCHXBOFLVHPF-WDYNHAJCSA-N 0 0 647.725 3.574 1 0 KHAFRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000072100126 562720228 /nfs/dbraw/zinc/72/02/28/562720228.db2.gz IVTCHXBOFLVHPF-URLMMPGGSA-N 0 0 647.725 3.574 1 0 KHAFRN CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000072100127 562720218 /nfs/dbraw/zinc/72/02/18/562720218.db2.gz IVTCHXBOFLVHPF-FQLXRVMXSA-N 0 0 647.725 3.574 1 0 KHAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104722 562720636 /nfs/dbraw/zinc/72/06/36/562720636.db2.gz YJKSAZNNFSPSJE-QHCPKHFHSA-N 0 0 568.118 3.779 1 0 KHAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104723 562720632 /nfs/dbraw/zinc/72/06/32/562720632.db2.gz YJKSAZNNFSPSJE-HSZRJFAPSA-N 0 0 568.118 3.779 1 0 KHAFRN Cc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F ZINC000072104785 562720591 /nfs/dbraw/zinc/72/05/91/562720591.db2.gz AYZYGPKOTBVFSE-SFHVURJKSA-N 0 0 520.436 3.848 1 0 KHAFRN Cc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F ZINC000072104786 562720626 /nfs/dbraw/zinc/72/06/26/562720626.db2.gz AYZYGPKOTBVFSE-GOSISDBHSA-N 0 0 520.436 3.848 1 0 KHAFRN N[C@@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccc(F)cc2C1 ZINC000072105341 562720829 /nfs/dbraw/zinc/72/08/29/562720829.db2.gz QFXCEXQJGXBAQP-XCZPVHLTSA-N 0 0 521.036 3.973 1 0 KHAFRN N[C@@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccc(F)cc2C1 ZINC000072105342 562720799 /nfs/dbraw/zinc/72/07/99/562720799.db2.gz QFXCEXQJGXBAQP-XTEPFMGCSA-N 0 0 521.036 3.973 1 0 KHAFRN N[C@@H](CC(=O)N1C[C@H]2C[C@@H]1CN2C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 ZINC000072105481 562720802 /nfs/dbraw/zinc/72/08/02/562720802.db2.gz DAGAWQYMJXWJFK-PFBJBMPXSA-N 0 0 516.592 3.599 1 0 KHAFRN N[C@@H](CC(=O)N[C@@H]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000072106024 562720858 /nfs/dbraw/zinc/72/08/58/562720858.db2.gz DSLSTQPUTJKYDA-FTJBHMTQSA-N 0 0 504.581 3.505 1 0 KHAFRN N[C@@H](CC(=O)N[C@H]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000072106025 562720871 /nfs/dbraw/zinc/72/08/71/562720871.db2.gz DSLSTQPUTJKYDA-UIOOFZCWSA-N 0 0 504.581 3.505 1 0 KHAFRN N[C@@H](CC(=O)N1CCCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106043 562720896 /nfs/dbraw/zinc/72/08/96/562720896.db2.gz XXKUGHXANQDZRQ-MHZLTWQESA-N 0 0 518.608 3.848 1 0 KHAFRN Nc1ncnc2c1ncn2CCOCP(=O)(OCCCCCCCC[C@H](O)CO)OCCCCCCCC[C@H](O)CO ZINC000072106188 562720944 /nfs/dbraw/zinc/72/09/44/562720944.db2.gz JNFHMBFLDVTUDE-DQEYMECFSA-N 0 0 617.725 3.777 1 0 KHAFRN Nc1ncnc2c1ncn2CCOCP(=O)(OCCCCCCCC[C@@H](O)CO)OCCCCCCCC[C@@H](O)CO ZINC000072106190 562720979 /nfs/dbraw/zinc/72/09/79/562720979.db2.gz JNFHMBFLDVTUDE-JWQCQUIFSA-N 0 0 617.725 3.777 1 0 KHAFRN Cc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072106312 562720997 /nfs/dbraw/zinc/72/09/97/562720997.db2.gz VPBCSCMAXYQTKD-JOCHJYFZSA-N 0 0 500.018 3.503 1 0 KHAFRN Cc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072106313 562721006 /nfs/dbraw/zinc/72/10/06/562721006.db2.gz VPBCSCMAXYQTKD-QFIPXVFZSA-N 0 0 500.018 3.503 1 0 KHAFRN COc1ccccc1-n1c(C)nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c1C ZINC000072106403 562721021 /nfs/dbraw/zinc/72/10/21/562721021.db2.gz MMAQGTSQMRXGFK-IBGZPJMESA-N 0 0 532.472 3.717 1 0 KHAFRN COc1ccccc1-n1c(C)nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c1C ZINC000072106404 562720989 /nfs/dbraw/zinc/72/09/89/562720989.db2.gz MMAQGTSQMRXGFK-LJQANCHMSA-N 0 0 532.472 3.717 1 0 KHAFRN CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 ZINC000072106540 562721056 /nfs/dbraw/zinc/72/10/56/562721056.db2.gz QZCVQRVVICEEFU-UXPWSPDFSA-N 0 0 530.412 3.732 1 0 KHAFRN Cc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1F ZINC000072106701 562721064 /nfs/dbraw/zinc/72/10/64/562721064.db2.gz SOTMHSTZVGLJAR-HXUWFJFHSA-N 0 0 500.018 3.503 1 0 KHAFRN Cc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1F ZINC000072106702 562721084 /nfs/dbraw/zinc/72/10/84/562721084.db2.gz SOTMHSTZVGLJAR-FQEVSTJZSA-N 0 0 500.018 3.503 1 0 KHAFRN N[C@@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106790 562721151 /nfs/dbraw/zinc/72/11/51/562721151.db2.gz HNVDBWUDPUTVEW-XCZPVHLTSA-N 0 0 503.046 3.833 1 0 KHAFRN N[C@@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106791 562721123 /nfs/dbraw/zinc/72/11/23/562721123.db2.gz HNVDBWUDPUTVEW-XTEPFMGCSA-N 0 0 503.046 3.833 1 0 KHAFRN COc1cc(C(=O)NC(=S)Nc2cc3[nH]c(=O)cnc3cc2N(C)C2CCCCC2)cc(OC)c1OC ZINC000072106818 562721106 /nfs/dbraw/zinc/72/11/06/562721106.db2.gz OXPQCRRDDRMRNZ-UHFFFAOYSA-N 0 0 525.631 3.845 1 0 KHAFRN COC(=O)CCC(=O)N(Cc1cccc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000072107382 562721218 /nfs/dbraw/zinc/72/12/18/562721218.db2.gz XXXZWIIHSQWYKQ-LEYFIJQKSA-N 0 0 641.724 3.727 1 0 KHAFRN CCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107627 562721351 /nfs/dbraw/zinc/72/13/51/562721351.db2.gz XHUKOBZKSOYMFB-HHHXNRCGSA-N 0 0 530.595 3.924 1 0 KHAFRN CCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107628 562721355 /nfs/dbraw/zinc/72/13/55/562721355.db2.gz XHUKOBZKSOYMFB-MHZLTWQESA-N 0 0 530.595 3.924 1 0 KHAFRN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107654 562721340 /nfs/dbraw/zinc/72/13/40/562721340.db2.gz GCBWCJLNGXOOBO-GDLZYMKVSA-N 0 0 550.585 3.587 1 0 KHAFRN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107655 562721323 /nfs/dbraw/zinc/72/13/23/562721323.db2.gz GCBWCJLNGXOOBO-LJAQVGFWSA-N 0 0 550.585 3.587 1 0 KHAFRN Nc1ncnc2c1ncn2CCOCP(=O)(OCCOCCCCCCCC[C@H](O)CO)OCCOCCCCCCCC[C@H](O)CO ZINC000072107780 562721312 /nfs/dbraw/zinc/72/13/12/562721312.db2.gz CRMMMSKVLKWVQY-VMPREFPWSA-N 0 0 705.831 3.810 1 0 KHAFRN Nc1ncnc2c1ncn2CCOCP(=O)(OCCOCCCCCCCC[C@@H](O)CO)OCCOCCCCCCCC[C@@H](O)CO ZINC000072107782 562721357 /nfs/dbraw/zinc/72/13/57/562721357.db2.gz CRMMMSKVLKWVQY-FQLXRVMXSA-N 0 0 705.831 3.810 1 0 KHAFRN CCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072110072 562721696 /nfs/dbraw/zinc/72/16/96/562721696.db2.gz ONGZPLXDAUYHCV-HHHXNRCGSA-N 0 0 512.605 3.785 1 0 KHAFRN CCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072110073 562721706 /nfs/dbraw/zinc/72/17/06/562721706.db2.gz ONGZPLXDAUYHCV-MHZLTWQESA-N 0 0 512.605 3.785 1 0 KHAFRN CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072110298 562721786 /nfs/dbraw/zinc/72/17/86/562721786.db2.gz FGNFDAMIWRDWBU-CLJLJLNGSA-N 0 0 537.657 3.656 1 0 KHAFRN CCOCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1 ZINC000072111159 562721942 /nfs/dbraw/zinc/72/19/42/562721942.db2.gz WFNJZMXOSUJROE-UHFFFAOYSA-N 0 0 509.651 3.666 1 0 KHAFRN CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072111503 562721955 /nfs/dbraw/zinc/72/19/55/562721955.db2.gz NEHSRODTMSYSBY-KAYWLYCHSA-N 0 0 549.668 3.800 1 0 KHAFRN CCCCN1C(=O)[C@@H]([C@@H](O)C2CCC(O)CC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072112639 562722157 /nfs/dbraw/zinc/72/21/57/562722157.db2.gz QFVJKNCYPTUPMB-RNBBJZODSA-N 0 0 593.721 3.551 1 0 KHAFRN CCCCN1C(=O)[C@@H]([C@H](O)C2CCC(O)CC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072112912 562722224 /nfs/dbraw/zinc/72/22/24/562722224.db2.gz QFVJKNCYPTUPMB-UFYOYCAMSA-N 0 0 593.721 3.551 1 0 KHAFRN CCOc1ccc(Cc2cc3c(cc2Cl)OCCCCCCOC[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000072113025 562722250 /nfs/dbraw/zinc/72/22/50/562722250.db2.gz LSQYXEMRKZPISL-SEFGFODJSA-N 0 0 507.023 3.822 1 0 KHAFRN CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072113384 562722328 /nfs/dbraw/zinc/72/23/28/562722328.db2.gz UHKIMVDUKKWJER-KAYWLYCHSA-N 0 0 549.668 3.800 1 0 KHAFRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1CCN1CCOCC1 ZINC000072113821 562722508 /nfs/dbraw/zinc/72/25/08/562722508.db2.gz TZFGYIUEYCFTJK-UHFFFAOYSA-N 0 0 575.877 3.665 1 0 KHAFRN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c4ccccc4)CC2)CN3c2ccccc2)cc1 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GPNSKMDEBNTBNC-DQLDELGASA-N 0 0 544.437 3.880 1 0 KHAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000072139866 562729078 /nfs/dbraw/zinc/72/90/78/562729078.db2.gz GPNSKMDEBNTBNC-ORYQWCPZSA-N 0 0 544.437 3.880 1 0 KHAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000072139867 562729071 /nfs/dbraw/zinc/72/90/71/562729071.db2.gz GPNSKMDEBNTBNC-NDXORKPFSA-N 0 0 544.437 3.880 1 0 KHAFRN CCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072141060 562729261 /nfs/dbraw/zinc/72/92/61/562729261.db2.gz NHTDQTZHTCWPRB-AREMUKBSSA-N 0 0 516.568 3.534 1 0 KHAFRN CCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072141061 562729239 /nfs/dbraw/zinc/72/92/39/562729239.db2.gz NHTDQTZHTCWPRB-SANMLTNESA-N 0 0 516.568 3.534 1 0 KHAFRN O=C(NCCN1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)c1ccc(Cl)cc1 ZINC000072141274 562729337 /nfs/dbraw/zinc/72/93/37/562729337.db2.gz FOKWDPRXQQGFID-UHFFFAOYSA-N 0 0 524.790 3.655 1 0 KHAFRN NC(=O)C1CCN(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(Cl)nn3)n2)CC1 ZINC000072141368 562729384 /nfs/dbraw/zinc/72/93/84/562729384.db2.gz FNOGMDGUHNJMMP-UHFFFAOYSA-N 0 0 506.916 3.658 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc3ccccc3c2)c(OCc2c[nH]cn2)c1)C(=O)[O-] ZINC000072142791 562729601 /nfs/dbraw/zinc/72/96/01/562729601.db2.gz MNKJVFSOEVTWMI-HNEHEIDXSA-N 0 0 543.624 3.880 1 0 KHAFRN [NH3+][C@@H](CCc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072142866 562729654 /nfs/dbraw/zinc/72/96/54/562729654.db2.gz YYSCXTOAQATIBT-OLUZHXLYSA-N 0 0 604.755 3.702 1 0 KHAFRN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1C[NH+]([C@H]2CC=C(c3ccc4c(c3)OCO4)CC2)C1 ZINC000072142918 562729665 /nfs/dbraw/zinc/72/96/65/562729665.db2.gz GYICATPFUUQVPD-NRFANRHFSA-N 0 0 501.505 3.600 1 0 KHAFRN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1C[NH+]([C@@H]2CC=C(c3ccc4c(c3)OCO4)CC2)C1 ZINC000072142919 562729637 /nfs/dbraw/zinc/72/96/37/562729637.db2.gz GYICATPFUUQVPD-OAQYLSRUSA-N 0 0 501.505 3.600 1 0 KHAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072146503 562729702 /nfs/dbraw/zinc/72/97/02/562729702.db2.gz QDDGBFIODWYMRX-MJHCOXIISA-N 0 0 648.760 3.828 1 0 KHAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4c(=O)c(C)c[nH]c4CO)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072146508 562729688 /nfs/dbraw/zinc/72/96/88/562729688.db2.gz PIKNRBQCPJAZAH-VKSKUSHNSA-N 0 0 666.750 3.967 1 0 KHAFRN CC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(C)=O)c2)C(=O)O1)C(C)C ZINC000072148903 562729913 /nfs/dbraw/zinc/72/99/13/562729913.db2.gz CZPLKLADANMGQQ-MSYODXHXSA-N 0 0 656.780 3.581 1 0 KHAFRN CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(C)=O)c2)C(=O)O1)C(C)C ZINC000072148904 562729939 /nfs/dbraw/zinc/72/99/39/562729939.db2.gz CZPLKLADANMGQQ-XMUXIZPSSA-N 0 0 656.780 3.581 1 0 KHAFRN CC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(C)=O)c2)C(=O)O1)C(C)C ZINC000072148905 562729929 /nfs/dbraw/zinc/72/99/29/562729929.db2.gz CZPLKLADANMGQQ-DIPXFSDISA-N 0 0 656.780 3.581 1 0 KHAFRN COC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)C(C)(C)C ZINC000072148908 562729945 /nfs/dbraw/zinc/72/99/45/562729945.db2.gz TUIJZRRAKRNJGG-PZBSVLGOSA-N 0 0 644.769 3.989 1 0 KHAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)C(C)(C)C ZINC000072148909 562729940 /nfs/dbraw/zinc/72/99/40/562729940.db2.gz TUIJZRRAKRNJGG-SPLDPELNSA-N 0 0 644.769 3.989 1 0 KHAFRN COC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)C(C)(C)C ZINC000072148910 562729936 /nfs/dbraw/zinc/72/99/36/562729936.db2.gz TUIJZRRAKRNJGG-DYSNXAHPSA-N 0 0 644.769 3.989 1 0 KHAFRN CC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(F)c(F)c2)C(=O)O1)C(C)C ZINC000072148921 562729985 /nfs/dbraw/zinc/72/99/85/562729985.db2.gz JPSCLCKRSRMCFP-HHDUDMGVSA-N 0 0 650.723 3.657 1 0 KHAFRN CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(F)c(F)c2)C(=O)O1)C(C)C ZINC000072148922 562729981 /nfs/dbraw/zinc/72/99/81/562729981.db2.gz JPSCLCKRSRMCFP-VREMGYNISA-N 0 0 650.723 3.657 1 0 KHAFRN CC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(F)c(F)c2)C(=O)O1)C(C)C ZINC000072148923 562729963 /nfs/dbraw/zinc/72/99/63/562729963.db2.gz JPSCLCKRSRMCFP-KRRGAGJTSA-N 0 0 650.723 3.657 1 0 KHAFRN CN1C(=O)[C@@H]2C[C@]3([C@@]45C[C@H]6C(=O)N(C)[C@@H](Cc7ccccc7)C(=O)N6[C@@H]4Nc4ccccc45)c4ccccc4N[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 ZINC000072155027 562730144 /nfs/dbraw/zinc/73/01/44/562730144.db2.gz IQIGYVQQRKFGLN-HZTNDYOFSA-N 0 0 692.820 3.734 1 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C3=N1 ZINC000072162747 562730206 /nfs/dbraw/zinc/73/02/06/562730206.db2.gz BLHSJXCFANTRKD-FUJBFKHSSA-N 0 0 683.661 3.980 1 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(Br)cc2)C3=N1 ZINC000072164550 562730242 /nfs/dbraw/zinc/73/02/42/562730242.db2.gz CHKVAJSPNGBPPT-FUJBFKHSSA-N 0 0 694.560 3.724 1 0 KHAFRN CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O ZINC000072170778 562730364 /nfs/dbraw/zinc/73/03/64/562730364.db2.gz XUVCVQYWRIQTNK-OCDDULBKSA-N 0 0 723.915 3.753 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5OCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170822 562730404 /nfs/dbraw/zinc/73/04/04/562730404.db2.gz QFADWLBHQPUBDH-WCUJTLSMSA-N 0 0 577.586 3.894 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5OCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171049 562730456 /nfs/dbraw/zinc/73/04/56/562730456.db2.gz QFADWLBHQPUBDH-XUHJDFEOSA-N 0 0 577.586 3.894 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OCC[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171773 562730507 /nfs/dbraw/zinc/73/05/07/562730507.db2.gz KKLVTKBOQZHQGL-NIQGLAOKSA-N 0 0 563.559 3.585 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OCC[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171778 562730503 /nfs/dbraw/zinc/73/05/03/562730503.db2.gz KKLVTKBOQZHQGL-QPFIFXANSA-N 0 0 563.559 3.585 1 0 KHAFRN COc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O[C@@H](CO)[C@H](O)c5cccc(O)c5OC)c(OC)c4)OC[C@@H]23)cc(OC)c1O ZINC000072171779 562730487 /nfs/dbraw/zinc/73/04/87/562730487.db2.gz GXFLHQASUNLZNY-QZSXCKCASA-N 0 0 614.644 3.689 1 0 in-vitro KHAFRN COc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O[C@@H](CO)[C@@H](O)c5cccc(O)c5OC)c(OC)c4)OC[C@@H]23)ccc1O ZINC000072171796 562730495 /nfs/dbraw/zinc/73/04/95/562730495.db2.gz QHRLSLOEICSBNJ-MIJLFIHUSA-N 0 0 584.618 3.681 1 0 in-vitro KHAFRN COc1ccc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@H]4[C@H](c5cc(OC)c(O)c(OC)c5)OC[C@@H]34)cc2OC)c(OC)c1O ZINC000072171935 562730562 /nfs/dbraw/zinc/73/05/62/562730562.db2.gz JLMIRNDPAYCMDI-YTMKAKFGSA-N 0 0 644.670 3.698 1 0 in-vitro KHAFRN Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(OCC(N)=O)cc1F ZINC000072171953 562730568 /nfs/dbraw/zinc/73/05/68/562730568.db2.gz LOAZSAQHNGGVGI-UHFFFAOYSA-N 0 0 515.257 3.908 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171992 562730565 /nfs/dbraw/zinc/73/05/65/562730565.db2.gz VFIRMHUPHABFJM-XUQXIDOOSA-N 0 0 547.560 3.885 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC[C@H](O)CO)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172024 562730623 /nfs/dbraw/zinc/73/06/23/562730623.db2.gz QDGTXNBNRHTXCP-HXUWFJFHSA-N 0 0 505.523 3.770 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC[C@@H](O)CO)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172025 562730607 /nfs/dbraw/zinc/73/06/07/562730607.db2.gz QDGTXNBNRHTXCP-FQEVSTJZSA-N 0 0 505.523 3.770 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172031 562730610 /nfs/dbraw/zinc/73/06/10/562730610.db2.gz VFIRMHUPHABFJM-DNBKINIGSA-N 0 0 547.560 3.885 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC[C@H](O)CO)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172094 562730629 /nfs/dbraw/zinc/73/06/29/562730629.db2.gz JHXVJEXDGPFIOL-HXUWFJFHSA-N 0 0 535.549 3.779 1 0 KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC[C@@H](O)CO)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172095 562730656 /nfs/dbraw/zinc/73/06/56/562730656.db2.gz JHXVJEXDGPFIOL-FQEVSTJZSA-N 0 0 535.549 3.779 1 0 KHAFRN COc1ccc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@H]4[C@H](c5cc(OC)c(O)c(OC)c5)OC[C@@H]34)cc2OC)c(OC)c1O ZINC000072172138 562730634 /nfs/dbraw/zinc/73/06/34/562730634.db2.gz JLMIRNDPAYCMDI-KNIDDCBVSA-N 0 0 644.670 3.698 1 0 in-vitro KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172259 562730673 /nfs/dbraw/zinc/73/06/73/562730673.db2.gz NWGWUYKYEZYKDX-JKRCXUNRSA-N 0 0 621.639 3.989 1 0 KHAFRN COc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O[C@@H](CO)[C@H](O)c5cccc(O)c5OC)c(OC)c4)OC[C@@H]23)ccc1O ZINC000072172332 562730702 /nfs/dbraw/zinc/73/07/02/562730702.db2.gz QHRLSLOEICSBNJ-UOILNLDMSA-N 0 0 584.618 3.681 1 0 in-vitro KHAFRN COc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O[C@@H](CO)[C@@H](O)c5cccc(O)c5OC)c(OC)c4)OC[C@@H]23)cc(OC)c1O ZINC000072172333 562730740 /nfs/dbraw/zinc/73/07/40/562730740.db2.gz GXFLHQASUNLZNY-VLDKHNBESA-N 0 0 614.644 3.689 1 0 in-vitro KHAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5OC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173054 562730714 /nfs/dbraw/zinc/73/07/14/562730714.db2.gz PWJOTDFFOSZXCH-QPFIFXANSA-N 0 0 563.559 3.503 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccncc1 ZINC000072173082 562730773 /nfs/dbraw/zinc/73/07/73/562730773.db2.gz PYLOGSUGDKKSFN-HHHXNRCGSA-N 0 0 587.553 3.932 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccncc1 ZINC000072173083 562730781 /nfs/dbraw/zinc/73/07/81/562730781.db2.gz PYLOGSUGDKKSFN-MHZLTWQESA-N 0 0 587.553 3.932 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1cccnc1 ZINC000072173142 562730810 /nfs/dbraw/zinc/73/08/10/562730810.db2.gz LOFHTUQBPDIWMT-HHHXNRCGSA-N 0 0 587.553 3.932 1 0 KHAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1cccnc1 ZINC000072173143 562730797 /nfs/dbraw/zinc/73/07/97/562730797.db2.gz LOFHTUQBPDIWMT-MHZLTWQESA-N 0 0 587.553 3.932 1 0 KHAFRN Cc1ccc(CN2c3cc(C(=O)NCCCN4CCOCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c(C)c1 ZINC000072173269 562730905 /nfs/dbraw/zinc/73/09/05/562730905.db2.gz SRTKLWQZTRBGPC-UHFFFAOYSA-N 0 0 547.677 3.749 1 0 KHAFRN COc1ccnc(C[S@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(C)=O)cc3[nH]2)c1OC ZINC000072173474 562730977 /nfs/dbraw/zinc/73/09/77/562730977.db2.gz YHJVYVNZPRWQJO-PSXMRANNSA-N 0 0 510.528 3.762 1 0 KHAFRN COc1ccnc(C[S@@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(C)=O)cc3[nH]2)c1OC ZINC000072173475 562730991 /nfs/dbraw/zinc/73/09/91/562730991.db2.gz YHJVYVNZPRWQJO-BHVANESWSA-N 0 0 510.528 3.762 1 0 KHAFRN CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C(=O)[C@@H]3CCC[NH2+]3)[C@H]1Nc1ccccc12 ZINC000072173526 562731009 /nfs/dbraw/zinc/73/10/09/562731009.db2.gz FUOBJHHWVPZNJN-UVNSKXAYSA-N 0 0 508.663 3.701 1 0 KHAFRN COc1ccnc(C[S@@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)C(F)(F)F)cc3[nH]2)c1OC ZINC000072173647 562731114 /nfs/dbraw/zinc/73/11/14/562731114.db2.gz WQNHNXBVWFADLZ-DHUJRADRSA-N 0 0 511.526 3.774 1 0 KHAFRN COc1ccnc(C[S@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)C(F)(F)F)cc3[nH]2)c1OC ZINC000072173648 562731121 /nfs/dbraw/zinc/73/11/21/562731121.db2.gz WQNHNXBVWFADLZ-PGUFJCEWSA-N 0 0 511.526 3.774 1 0 KHAFRN CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)/C=C\c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000072174360 562731128 /nfs/dbraw/zinc/73/11/28/562731128.db2.gz KAPQKCUDPVRZEX-TUCWLARQSA-N 0 0 578.658 3.858 1 0 KHAFRN CC(=O)Nc1sc2c(c1Cc1nnc(SCC3N=NC(=S)N3N)n1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000072174368 562731111 /nfs/dbraw/zinc/73/11/11/562731111.db2.gz YGIIUQBGFDLRSX-UHFFFAOYSA-N 0 0 590.160 3.691 1 0 KHAFRN CCOC(=O)N1CCN(c2cc3nc([S@@](=O)Cc4ncc(C)c(OC)c4C)[nH]c3cc2NC(=O)C2CC2)CC1 ZINC000072174733 562731169 /nfs/dbraw/zinc/73/11/69/562731169.db2.gz BVVGOQDXCYEVNF-LDLOPFEMSA-N 0 0 554.673 3.518 1 0 KHAFRN CCOC(=O)N1CCN(c2cc3nc([S@](=O)Cc4ncc(C)c(OC)c4C)[nH]c3cc2NC(=O)C2CC2)CC1 ZINC000072174734 562731160 /nfs/dbraw/zinc/73/11/60/562731160.db2.gz BVVGOQDXCYEVNF-KDXMTYKHSA-N 0 0 554.673 3.518 1 0 KHAFRN CC(C)C(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072174860 562731197 /nfs/dbraw/zinc/73/11/97/562731197.db2.gz OTMGGFOSQIFCQN-RUZDIDTESA-N 0 0 552.548 3.880 1 0 KHAFRN CC(C)C(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072174861 562731187 /nfs/dbraw/zinc/73/11/87/562731187.db2.gz OTMGGFOSQIFCQN-VWLOTQADSA-N 0 0 552.548 3.880 1 0 KHAFRN CCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175588 562731384 /nfs/dbraw/zinc/73/13/84/562731384.db2.gz SEVFSJOYSBTPMA-XMMPIXPASA-N 0 0 538.521 3.634 1 0 KHAFRN CCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175589 562731363 /nfs/dbraw/zinc/73/13/63/562731363.db2.gz SEVFSJOYSBTPMA-DEOSSOPVSA-N 0 0 538.521 3.634 1 0 KHAFRN O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCOCC2)cc1 ZINC000072175790 562731409 /nfs/dbraw/zinc/73/14/09/562731409.db2.gz SCXJWIMTVIDIFS-UHFFFAOYSA-N 0 0 547.637 3.841 1 0 KHAFRN Cc1c2c(n3c1CCN(C(=O)[C@@H](O)C(C)C)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O ZINC000072176002 562731452 /nfs/dbraw/zinc/73/14/52/562731452.db2.gz ZRAYVGSXRWTSBW-QZXAKIBKSA-N 0 0 522.690 3.878 1 0 KHAFRN Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCC(O)CC2)n1 ZINC000072176060 562731509 /nfs/dbraw/zinc/73/15/09/562731509.db2.gz KFRUZRAQPBNGME-UHFFFAOYSA-N 0 0 505.604 3.681 1 0 KHAFRN Cc1nc(NCCCN2CCOCC2)cc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)n1 ZINC000072176081 562731492 /nfs/dbraw/zinc/73/14/92/562731492.db2.gz FMECAVUOMUCKKM-UHFFFAOYSA-N 0 0 548.673 3.854 1 0 KHAFRN O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1cccc(N2CCOCC2)c1 ZINC000072176238 562731572 /nfs/dbraw/zinc/73/15/72/562731572.db2.gz GEYPTNPRIORDBI-UHFFFAOYSA-N 0 0 503.584 3.966 1 0 KHAFRN O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000072176239 562731561 /nfs/dbraw/zinc/73/15/61/562731561.db2.gz KLFGEFWUMJCZNH-UHFFFAOYSA-N 0 0 503.584 3.966 1 0 KHAFRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1 ZINC000072176299 562731607 /nfs/dbraw/zinc/73/16/07/562731607.db2.gz HSLBYLAGSRZEGM-LTYBFEFVSA-N 0 0 622.430 3.906 1 0 KHAFRN O=c1n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072176330 562731582 /nfs/dbraw/zinc/73/15/82/562731582.db2.gz DDHMEVHGOLHKDM-JOCHJYFZSA-N 0 0 550.378 3.922 1 0 KHAFRN O=c1n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072176331 562731595 /nfs/dbraw/zinc/73/15/95/562731595.db2.gz DDHMEVHGOLHKDM-QFIPXVFZSA-N 0 0 550.378 3.922 1 0 KHAFRN C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 ZINC000072176360 562731606 /nfs/dbraw/zinc/73/16/06/562731606.db2.gz POPLFVJHDAWIDM-URVUXULASA-N 0 0 508.619 3.512 1 0 KHAFRN CC(C)c1ccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)cc1 ZINC000072176466 562731644 /nfs/dbraw/zinc/73/16/44/562731644.db2.gz GFCAZLVTPUCOKN-LJAQVGFWSA-N 0 0 559.577 3.867 1 0 KHAFRN O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000072177169 562731773 /nfs/dbraw/zinc/73/17/73/562731773.db2.gz OJGCKUPYSBMXGG-SANMLTNESA-N 0 0 601.492 3.643 1 0 KHAFRN COc1cccn2c(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)cnc12 ZINC000072177283 562731772 /nfs/dbraw/zinc/73/17/72/562731772.db2.gz MAMCKHRKAMEQIM-UHFFFAOYSA-N 0 0 507.982 3.874 1 0 KHAFRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1 ZINC000072177560 562731861 /nfs/dbraw/zinc/73/18/61/562731861.db2.gz CGQADEZLAWJLKM-LTYBFEFVSA-N 0 0 577.979 3.797 1 0 KHAFRN Cc1cccc(S(=O)(=O)Nc2cccc(-c3cc(Nc4cc(N5CCN(C)CC5)nc(C)n4)n[nH]3)c2)c1 ZINC000072177582 562731828 /nfs/dbraw/zinc/73/18/28/562731828.db2.gz ZEFQETLZQIQBNG-UHFFFAOYSA-N 0 0 518.647 3.780 1 0 KHAFRN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1 ZINC000072177653 562731848 /nfs/dbraw/zinc/73/18/48/562731848.db2.gz LGLHFOHEHZBZED-RNBJNODMSA-N 0 0 622.430 3.906 1 0 KHAFRN O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(CN2CCOCC2)cc1 ZINC000072177861 562731929 /nfs/dbraw/zinc/73/19/29/562731929.db2.gz PTGDNBWLPMBSTB-UHFFFAOYSA-N 0 0 517.611 3.962 1 0 KHAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Br)c(-c2cnc3ccccn32)n1 ZINC000072178033 562731948 /nfs/dbraw/zinc/73/19/48/562731948.db2.gz UBHVSGGXYKHEIW-UHFFFAOYSA-N 0 0 522.407 3.975 1 0 KHAFRN COCCC(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@H](C)C1)CC(C)(C)CC3=O ZINC000072178269 562732009 /nfs/dbraw/zinc/73/20/09/562732009.db2.gz YCWFAWGWYOUCKZ-MJGOQNOKSA-N 0 0 508.663 3.897 1 0 KHAFRN O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1cccc(Br)c1 ZINC000072178437 562732068 /nfs/dbraw/zinc/73/20/68/562732068.db2.gz WWXHWPGQXQCUMZ-SANMLTNESA-N 0 0 596.392 3.507 1 0 KHAFRN Cc1cccc(/C=C/C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)c1C ZINC000072178455 562732061 /nfs/dbraw/zinc/73/20/61/562732061.db2.gz YMPPNAAHYGHWDN-VUKSNCGASA-N 0 0 571.588 3.760 1 0 KHAFRN O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1ccccc1Br ZINC000072178856 562732178 /nfs/dbraw/zinc/73/21/78/562732178.db2.gz CXVYPDSBIMCXRT-SANMLTNESA-N 0 0 596.392 3.507 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178881 562732180 /nfs/dbraw/zinc/73/21/80/562732180.db2.gz KZBSEJKXWKPCLO-VQTJNVASSA-N 0 0 550.689 3.844 1 0 KHAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(N(C)C)cn32)n1 ZINC000072178937 562732214 /nfs/dbraw/zinc/73/22/14/562732214.db2.gz FQVBSUZPKJKZTD-UHFFFAOYSA-N 0 0 521.025 3.931 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C[C@@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178994 562732197 /nfs/dbraw/zinc/73/21/97/562732197.db2.gz KZBSEJKXWKPCLO-WOJBJXKFSA-N 0 0 550.689 3.844 1 0 KHAFRN COc1ccc2ncc(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)n2c1 ZINC000072179151 562732244 /nfs/dbraw/zinc/73/22/44/562732244.db2.gz USTYCAYMLDJVPF-UHFFFAOYSA-N 0 0 507.982 3.874 1 0 KHAFRN COc1ccn2c(c1)ncc2-c1nc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)ncc1Cl ZINC000072179542 562732322 /nfs/dbraw/zinc/73/23/22/562732322.db2.gz HQWMHIYZVJUHKF-UHFFFAOYSA-N 0 0 507.982 3.874 1 0 KHAFRN CCCc1ccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)cc1 ZINC000072179713 562732395 /nfs/dbraw/zinc/73/23/95/562732395.db2.gz FJDFBDSPFREHNZ-LJAQVGFWSA-N 0 0 559.577 3.697 1 0 KHAFRN CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 ZINC000072180440 562732499 /nfs/dbraw/zinc/73/24/99/562732499.db2.gz XFWNXRYYGPIPLI-UHFFFAOYSA-N 0 0 513.668 3.563 1 0 KHAFRN CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(I)c3c2)c1F ZINC000072180709 562732561 /nfs/dbraw/zinc/73/25/61/562732561.db2.gz ZWQBDOYADQTZHP-UHFFFAOYSA-N 0 0 520.299 3.850 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072181174 562732653 /nfs/dbraw/zinc/73/26/53/562732653.db2.gz MQWHYEKERKXFQY-RPWUZVMVSA-N 0 0 574.642 3.857 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](OC(C)(C)C(F)(F)F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072181258 562732678 /nfs/dbraw/zinc/73/26/78/562732678.db2.gz ZIZAJYWIUBTSRC-PMACEKPBSA-N 0 0 590.632 3.997 1 0 KHAFRN CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 ZINC000072181274 562732697 /nfs/dbraw/zinc/73/26/97/562732697.db2.gz SPTNJNJCNRTHDY-UHFFFAOYSA-N 0 0 527.695 3.954 1 0 KHAFRN CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O ZINC000072181381 562732701 /nfs/dbraw/zinc/73/27/01/562732701.db2.gz MXYMWTPPSBKBGN-VXKWHMMOSA-N 0 0 550.689 3.844 1 0 KHAFRN Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2ncc(OCC(=O)[O-])cc2n1-c1ccccc1 ZINC000072181422 562732713 /nfs/dbraw/zinc/73/27/13/562732713.db2.gz XZTXPBPBCVXECY-UHFFFAOYSA-N 0 0 500.555 3.943 1 0 KHAFRN O=C(NC[C@@H](c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181486 562732760 /nfs/dbraw/zinc/73/27/60/562732760.db2.gz CQIUQMCMGIRQHZ-VWLOTQADSA-N 0 0 513.602 3.642 1 0 KHAFRN O=C(NC[C@H](c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181487 562732739 /nfs/dbraw/zinc/73/27/39/562732739.db2.gz CQIUQMCMGIRQHZ-RUZDIDTESA-N 0 0 513.602 3.642 1 0 KHAFRN O=C(NC[C@@H](c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181611 562732754 /nfs/dbraw/zinc/73/27/54/562732754.db2.gz RLSOOBWWRNNSNI-VWLOTQADSA-N 0 0 513.602 3.642 1 0 KHAFRN O=C(NC[C@H](c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181612 562732735 /nfs/dbraw/zinc/73/27/35/562732735.db2.gz RLSOOBWWRNNSNI-RUZDIDTESA-N 0 0 513.602 3.642 1 0 KHAFRN O=C(NC[C@@H](c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181613 562732747 /nfs/dbraw/zinc/73/27/47/562732747.db2.gz TZKCFHAQUHKJPN-VWLOTQADSA-N 0 0 513.602 3.642 1 0 KHAFRN O=C(NC[C@H](c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181614 562732770 /nfs/dbraw/zinc/73/27/70/562732770.db2.gz TZKCFHAQUHKJPN-RUZDIDTESA-N 0 0 513.602 3.642 1 0 KHAFRN COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(N5CCOCC5)CC4)cc3OC)nn21 ZINC000072181744 562732789 /nfs/dbraw/zinc/73/27/89/562732789.db2.gz ZCIQMENOTTVELZ-UHFFFAOYSA-N 0 0 515.618 3.526 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](Oc5ccc(F)cc5F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182075 562732797 /nfs/dbraw/zinc/73/27/97/562732797.db2.gz NSWYQWBLEMTVKT-UPVQGACJSA-N 0 0 592.632 3.996 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](Oc5cc(F)cc(F)c5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182076 562732808 /nfs/dbraw/zinc/73/28/08/562732808.db2.gz NLXAJRNAHYRPPY-ZEQRLZLVSA-N 0 0 592.632 3.996 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](OC5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182185 562732854 /nfs/dbraw/zinc/73/28/54/562732854.db2.gz OAOPWYXDCLIWEH-GOTSBHOMSA-N 0 0 548.673 3.598 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](Oc5cccc(F)c5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182369 562732823 /nfs/dbraw/zinc/73/28/23/562732823.db2.gz OGDURDWHHQUSDO-ZEQRLZLVSA-N 0 0 574.642 3.857 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182370 562732851 /nfs/dbraw/zinc/73/28/51/562732851.db2.gz MQWHYEKERKXFQY-ZEQRLZLVSA-N 0 0 574.642 3.857 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](Oc5ccccc5F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182484 562732818 /nfs/dbraw/zinc/73/28/18/562732818.db2.gz HIXRSEFUZBICPP-UPVQGACJSA-N 0 0 574.642 3.857 1 0 KHAFRN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@H](C(=O)OCC(C)(C)C)C(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)O ZINC000072185755 562732963 /nfs/dbraw/zinc/73/29/63/562732963.db2.gz XTRXNFNJMVDMFZ-FHHZGDDUSA-N 0 0 686.703 3.987 1 0 KHAFRN CS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000072316220 562733055 /nfs/dbraw/zinc/73/30/55/562733055.db2.gz AMXSRXZYBDALJG-XERREHJYSA-N 0 0 506.976 3.520 1 0 in-vitro KHAFRN CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(C(F)(F)F)cn4)CC3)cc2=O)cc1 ZINC000072317490 562733175 /nfs/dbraw/zinc/73/31/75/562733175.db2.gz ZORUENBHFGGTTG-UHFFFAOYSA-N 0 0 528.940 3.751 1 0 KHAFRN CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(C(F)(F)F)cn4)CC3)cc2=O)cc1F ZINC000072317491 562733187 /nfs/dbraw/zinc/73/31/87/562733187.db2.gz QUKGFPUNFKSRAB-UHFFFAOYSA-N 0 0 546.930 3.890 1 0 KHAFRN CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)c(F)c1 ZINC000072317493 562733150 /nfs/dbraw/zinc/73/31/50/562733150.db2.gz OGIAVRWXUPYGGC-UHFFFAOYSA-N 0 0 513.378 3.525 1 0 investigational KHAFRN CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)cc1F ZINC000072317494 562733177 /nfs/dbraw/zinc/73/31/77/562733177.db2.gz PQHYXVGPFDSKEU-UHFFFAOYSA-N 0 0 513.378 3.525 1 0 KHAFRN Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CCN(C4COC4)CC3)cn2)c1=O ZINC000072318151 562733217 /nfs/dbraw/zinc/73/32/17/562733217.db2.gz CMLXXBAEHGHZRO-UHFFFAOYSA-N 0 0 653.759 3.684 1 0 KHAFRN COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(c3ccnc(Nc4cc(OC)c(OC)c(OC)c4)n3)C2)c1 ZINC000072318203 562733275 /nfs/dbraw/zinc/73/32/75/562733275.db2.gz VTMFEXPPESJPGR-FQEVSTJZSA-N 0 0 535.601 3.565 1 0 KHAFRN COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4cccc(N5CCOCC5)c4)C3)n2)cc(OC)c1OC ZINC000072318208 562733273 /nfs/dbraw/zinc/73/32/73/562733273.db2.gz UDJALEUTCWTIEP-QFIPXVFZSA-N 0 0 562.671 3.615 1 0 KHAFRN CCC/C=C\c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000073129868 562733343 /nfs/dbraw/zinc/73/33/43/562733343.db2.gz HUIYJWCSDDKPCN-RWXWHQPWSA-N 0 0 525.675 3.932 1 0 KHAFRN C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c1nc(NO)nc2N ZINC000073139540 562733489 /nfs/dbraw/zinc/73/34/89/562733489.db2.gz MUNQQJSUINTGMW-ZLZVUVTQSA-N 0 0 624.610 3.805 1 0 KHAFRN CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1 ZINC000073140620 562733679 /nfs/dbraw/zinc/73/36/79/562733679.db2.gz WUCGXMCXJRLPEJ-UHFFFAOYSA-N 0 0 501.923 3.599 1 0 KHAFRN CS(=O)(=O)c1cccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)c1 ZINC000073140624 562733654 /nfs/dbraw/zinc/73/36/54/562733654.db2.gz VZOODMNCQCIAPX-UHFFFAOYSA-N 0 0 501.923 3.599 1 0 KHAFRN COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)nc2)cc1 ZINC000073140645 562733683 /nfs/dbraw/zinc/73/36/83/562733683.db2.gz JCCCJXQUDHRCHU-SNAWJCMRSA-N 0 0 611.703 3.504 1 0 KHAFRN CN1CCN(C(=O)[C@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000073140648 562733642 /nfs/dbraw/zinc/73/36/42/562733642.db2.gz REOREADHBOUIHF-DEOSSOPVSA-N 0 0 509.006 3.617 1 0 KHAFRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(F)c(F)cc(F)c2F)c2ccc(=O)[nH]c2c1=O ZINC000073141366 562733722 /nfs/dbraw/zinc/73/37/22/562733722.db2.gz CGIXDAAVAHVYMW-UHFFFAOYSA-N 0 0 528.462 3.796 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000073142044 562733733 /nfs/dbraw/zinc/73/37/33/562733733.db2.gz VMNUCXRJVNNSFP-BWSPLYPDSA-N 0 0 614.651 3.888 1 0 KHAFRN Cc1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)cc1C ZINC000073156287 562733795 /nfs/dbraw/zinc/73/37/95/562733795.db2.gz HRTMPRUBSSPKAJ-AREMUKBSSA-N 0 0 502.615 3.580 1 0 KHAFRN Cc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)c(Oc2ccc(Cl)cc2)n1 ZINC000073156295 562733785 /nfs/dbraw/zinc/73/37/85/562733785.db2.gz PPQHJJHSMFMAHE-RUZDIDTESA-N 0 0 523.033 3.925 1 0 KHAFRN O=C([O-])CN1C(=O)N(CCCCCCN2CCCN3CCC[NH+]=C23)C(c2ccccc2)(c2ccccc2)C1=O ZINC000073156917 562733865 /nfs/dbraw/zinc/73/38/65/562733865.db2.gz JEHPAHADSYBIGM-UHFFFAOYSA-N 0 0 531.657 3.607 1 0 KHAFRN CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn21)S(C)(=O)=O ZINC000073157589 562733898 /nfs/dbraw/zinc/73/38/98/562733898.db2.gz YKWILWXFQSULJA-UHFFFAOYSA-N 0 0 526.066 3.941 1 0 KHAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@@H](NC(=O)COC)CC3(C)C)ncc1Cl ZINC000073158650 562733949 /nfs/dbraw/zinc/73/39/49/562733949.db2.gz ITBJAHYMMJZDJN-FQEVSTJZSA-N 0 0 570.025 3.867 1 0 KHAFRN CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCc2ccccn2)OC1=O ZINC000073158796 562733964 /nfs/dbraw/zinc/73/39/64/562733964.db2.gz XBOSSGPNTILYAJ-CSNXKBJZSA-N 0 0 587.793 3.742 1 0 KHAFRN COc1ccccc1N1CC[NH+](CCCCN2C(=O)N(CC(=O)[O-])C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000073160077 562734034 /nfs/dbraw/zinc/73/40/34/562734034.db2.gz LVRRYACHINQWPP-UHFFFAOYSA-N 0 0 556.663 3.890 1 0 KHAFRN CC(=O)O[C@H](CN1C(=O)N(C)C(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000073160081 562734041 /nfs/dbraw/zinc/73/40/41/562734041.db2.gz YLYDQBFPJRGMTH-NDEPHWFRSA-N 0 0 526.637 3.578 1 0 KHAFRN CC(=O)O[C@@H](CN1C(=O)N(C)C(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000073160085 562734063 /nfs/dbraw/zinc/73/40/63/562734063.db2.gz YLYDQBFPJRGMTH-MUUNZHRXSA-N 0 0 526.637 3.578 1 0 KHAFRN O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC[C@H]1c1cccnc1 ZINC000073161026 562734111 /nfs/dbraw/zinc/73/41/11/562734111.db2.gz GEQMCWUFSSQHDC-ZEQRLZLVSA-N 0 0 527.046 3.521 1 0 KHAFRN O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC[C@@H]1c1cccnc1 ZINC000073161030 562734072 /nfs/dbraw/zinc/73/40/72/562734072.db2.gz GEQMCWUFSSQHDC-BJKOFHAPSA-N 0 0 527.046 3.521 1 0 KHAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@H](NC(=O)COC)CC3(C)C)ncc1Cl ZINC000073163980 562734249 /nfs/dbraw/zinc/73/42/49/562734249.db2.gz ITBJAHYMMJZDJN-HXUWFJFHSA-N 0 0 570.025 3.867 1 0 KHAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000073165133 562734415 /nfs/dbraw/zinc/73/44/15/562734415.db2.gz PATUBHLMDCUGDM-VWLOTQADSA-N 0 0 508.565 3.978 1 0 KHAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000073165136 562734404 /nfs/dbraw/zinc/73/44/04/562734404.db2.gz PATUBHLMDCUGDM-RUZDIDTESA-N 0 0 508.565 3.978 1 0 KHAFRN CN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2c(s1)CN(C)CC2 ZINC000073165174 562734366 /nfs/dbraw/zinc/73/43/66/562734366.db2.gz GRRCOGFTBIVTID-UHFFFAOYSA-N 0 0 518.064 3.730 1 0 KHAFRN Cc1ncc(COC[C@@H](NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C(=O)N2CCN(C)CC2)o1 ZINC000073165657 562734454 /nfs/dbraw/zinc/73/44/54/562734454.db2.gz PBCZOAJIAODBER-OAQYLSRUSA-N 0 0 581.979 3.932 1 0 KHAFRN CN(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000073166215 562734484 /nfs/dbraw/zinc/73/44/84/562734484.db2.gz HWLDZTMEGNMIAD-UHFFFAOYSA-N 0 0 518.064 3.730 1 0 KHAFRN COC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000073166218 562734498 /nfs/dbraw/zinc/73/44/98/562734498.db2.gz UNQKXOVSOMZTIU-UHFFFAOYSA-N 0 0 505.021 3.815 1 0 KHAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(F)cnc2Oc2ccc(Cl)cc2)CC1 ZINC000073167571 562734629 /nfs/dbraw/zinc/73/46/29/562734629.db2.gz TZELTTMKMYHXCR-XMMPIXPASA-N 0 0 526.996 3.756 1 0 KHAFRN COc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2NC(=O)c2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000073167681 562734621 /nfs/dbraw/zinc/73/46/21/562734621.db2.gz RWIOSKPFGYUKLK-UHFFFAOYSA-N 0 0 532.597 3.805 1 0 KHAFRN Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN(C)CC1 ZINC000073168763 562734797 /nfs/dbraw/zinc/73/47/97/562734797.db2.gz DEJVRMYNHGSXLQ-XMMPIXPASA-N 0 0 523.033 3.925 1 0 KHAFRN COc1cc(CC(=O)OC[C@H](Cc2ccc(O)c(OC)c2)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O ZINC000073169112 562734771 /nfs/dbraw/zinc/73/47/71/562734771.db2.gz CVWJZGKPYVKKMV-VXKWHMMOSA-N 0 0 526.582 3.625 1 0 KHAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@@H](NC(=O)CN(C)C)CC3(C)C)ncc1Cl ZINC000073169651 562734855 /nfs/dbraw/zinc/73/48/55/562734855.db2.gz HLDBRFJDIQDEFJ-NRFANRHFSA-N 0 0 583.068 3.782 1 0 KHAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@H](NC(=O)CN(C)C)CC3(C)C)ncc1Cl ZINC000073169654 562734857 /nfs/dbraw/zinc/73/48/57/562734857.db2.gz HLDBRFJDIQDEFJ-OAQYLSRUSA-N 0 0 583.068 3.782 1 0 KHAFRN C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 ZINC000073170158 562734888 /nfs/dbraw/zinc/73/48/88/562734888.db2.gz AOGQBFWFOJRISL-SLPFSQKISA-N 0 0 580.745 3.768 1 0 KHAFRN COc1ccc2c(n1)c(=O)c(C(=O)Nc1ccc(N3CCOCC3)cc1)cn2Cc1c(F)cccc1F ZINC000073196121 562735014 /nfs/dbraw/zinc/73/50/14/562735014.db2.gz OKWBEFGFVXJFDV-UHFFFAOYSA-N 0 0 506.509 3.821 1 0 KHAFRN O=C(NCc1ccccc1Cl)[C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000073196986 562735219 /nfs/dbraw/zinc/73/52/19/562735219.db2.gz DSGKFVASZGYMHP-AREMUKBSSA-N 0 0 508.018 3.947 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)NCc2ccccc2Cl)cc1 ZINC000073196987 562735228 /nfs/dbraw/zinc/73/52/28/562735228.db2.gz RQGDBMSLAPKORS-AREMUKBSSA-N 0 0 538.044 3.956 1 0 KHAFRN CN1C[C@](C)(COc2ccc(C(N)=[NH2+])cc2)Oc2cc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)[O-])ccc21 ZINC000073197143 562735279 /nfs/dbraw/zinc/73/52/79/562735279.db2.gz YQAXDHLSWUXESO-HHHXNRCGSA-N 0 0 524.524 3.533 1 0 KHAFRN CN1C[C@@](C)(COc2ccc(C(N)=[NH2+])cc2)Oc2cc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)[O-])ccc21 ZINC000073197144 562735291 /nfs/dbraw/zinc/73/52/91/562735291.db2.gz YQAXDHLSWUXESO-MHZLTWQESA-N 0 0 524.524 3.533 1 0 KHAFRN COc1c(C)nccc1CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)C1CC1 ZINC000073197332 562735320 /nfs/dbraw/zinc/73/53/20/562735320.db2.gz BCQFAHMAIVZASL-GDLZYMKVSA-N 0 0 558.679 3.880 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2ccnc(C)c2OC)C2CC2)cc1 ZINC000073197333 562735344 /nfs/dbraw/zinc/73/53/44/562735344.db2.gz YENVMOZBBNYFAW-GDLZYMKVSA-N 0 0 588.705 3.889 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(C)CCc2ccccc2)cc1 ZINC000073197351 562735313 /nfs/dbraw/zinc/73/53/13/562735313.db2.gz PLUXTJQZYVYMCL-MUUNZHRXSA-N 0 0 531.653 3.687 1 0 KHAFRN CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073197428 562735370 /nfs/dbraw/zinc/73/53/70/562735370.db2.gz JNKCOZHMWBCFON-GDLZYMKVSA-N 0 0 589.092 3.829 1 0 KHAFRN COc1cccc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1C ZINC000073197460 562735356 /nfs/dbraw/zinc/73/53/56/562735356.db2.gz JJHOLBCNXAYWHZ-HHHXNRCGSA-N 0 0 527.621 3.857 1 0 KHAFRN CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073197529 562735364 /nfs/dbraw/zinc/73/53/64/562735364.db2.gz JUHUFOXVKPOSAT-GDLZYMKVSA-N 0 0 603.119 3.872 1 0 KHAFRN CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]2[C@H]3/C=C(/C)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@H](O3)[C@@H]2[C@H]1C(C)C ZINC000073197741 562735397 /nfs/dbraw/zinc/73/53/97/562735397.db2.gz HRWQLHRTUUOARU-QLXJVLQQSA-N 0 0 552.705 3.870 1 0 KHAFRN COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2ccccc2Cl)C2CC2)cn1 ZINC000073197759 562735429 /nfs/dbraw/zinc/73/54/29/562735429.db2.gz OVMYCIIYARFAIB-AREMUKBSSA-N 0 0 580.085 3.620 1 0 KHAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(C)Cc2ccccc2)cc1 ZINC000073197968 562735475 /nfs/dbraw/zinc/73/54/75/562735475.db2.gz ZAYGRAVHQBWLNN-HHHXNRCGSA-N 0 0 517.626 3.644 1 0 KHAFRN COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2)C2CC2)cn1 ZINC000073198695 562735850 /nfs/dbraw/zinc/73/58/50/562735850.db2.gz MHIPQWJQIBVUMT-AREMUKBSSA-N 0 0 580.085 3.620 1 0 KHAFRN CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073198926 562735939 /nfs/dbraw/zinc/73/59/39/562735939.db2.gz YGUGOFWDLOPSTD-GDLZYMKVSA-N 0 0 603.119 3.872 1 0 KHAFRN CC(=O)OCc1c(Br)c(Br)c(OC(C)=O)c(OC(C)=O)c1Br ZINC000073199015 562735944 /nfs/dbraw/zinc/73/59/44/562735944.db2.gz JNSSHQBERKQWMC-UHFFFAOYSA-N 0 0 502.937 3.888 1 0 KHAFRN COc1nc(C(C)(C)NC(=O)c2nnc(C)o2)nc(C(=O)NCc2ccc(F)cc2)c1OS(=O)(=O)c1c(C)cc(C)cc1C ZINC000073199149 562735972 /nfs/dbraw/zinc/73/59/72/562735972.db2.gz QAMPFCUPCQSYFI-UHFFFAOYSA-N 0 0 626.667 3.604 1 0 KHAFRN COc1cc(/C=C2\CCCN3C2=NO[C@]3(CN(C)S(C)(=O)=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000073200385 562736106 /nfs/dbraw/zinc/73/61/06/562736106.db2.gz LZSBLSJQJHXKLB-XHBHTSLYSA-N 0 0 539.633 3.896 1 0 KHAFRN CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1 ZINC000073219542 562736193 /nfs/dbraw/zinc/73/61/93/562736193.db2.gz PLZWVXKEQYGKTJ-AUSIDOKSSA-N 0 0 502.554 3.529 1 0 KHAFRN COC(=O)c1cccc(Cn2cc(COc3cccc(NC(=O)Cn4sc5ccccc5c4=O)c3)nn2)c1 ZINC000073221364 562736314 /nfs/dbraw/zinc/73/63/14/562736314.db2.gz YKCZQAOHMDHQHP-UHFFFAOYSA-N 0 0 529.578 3.707 1 0 KHAFRN O=C(Cn1cc(COc2cccc(NC(=O)Cn3sc4ccccc4c3=O)c2)nn1)Nc1ccccc1 ZINC000073221370 562736285 /nfs/dbraw/zinc/73/62/85/562736285.db2.gz ONRFFTZCVKCXHJ-UHFFFAOYSA-N 0 0 514.567 3.511 1 0 KHAFRN O=C(c1ccc(Cl)cc1)N1CCN(CCN2CCN(Cc3cccc(Oc4ccccc4)c3)S2(=O)=O)CC1 ZINC000073222189 562736392 /nfs/dbraw/zinc/73/63/92/562736392.db2.gz PQOMLLJCHJRAQL-UHFFFAOYSA-N 0 0 555.100 3.953 1 0 KHAFRN COC(=O)C1=NN(c2ccccc2)[C@@H]2[C@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000073224114 562736572 /nfs/dbraw/zinc/73/65/72/562736572.db2.gz GSNDHYGVBYYXIW-VSGBNLITSA-N 0 0 547.575 3.974 1 0 KHAFRN COC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000073224115 562736607 /nfs/dbraw/zinc/73/66/07/562736607.db2.gz GSNDHYGVBYYXIW-NSOVKSMOSA-N 0 0 547.575 3.974 1 0 KHAFRN CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](CO)C(=O)N[C@H](C2CCCCC2)C(=O)O1 ZINC000073224191 562736600 /nfs/dbraw/zinc/73/66/00/562736600.db2.gz YBYXVZONKTZEIB-ZCORBZMWSA-N 0 0 605.776 3.987 1 0 KHAFRN CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NCCCO)c2C1 ZINC000073224453 562736676 /nfs/dbraw/zinc/73/66/76/562736676.db2.gz JMWYXCOECNESCH-UHFFFAOYSA-N 0 0 531.391 3.660 1 0 KHAFRN CCOC(=O)CC[C@H](NC(=O)Cc1ccc(Nc2nc3cc(F)c(F)cc3nc2C(=O)OCC)cc1)C(=O)OCC ZINC000073241345 562736935 /nfs/dbraw/zinc/73/69/35/562736935.db2.gz HZVWTCFSODAMPZ-FQEVSTJZSA-N 0 0 572.565 3.762 1 0 KHAFRN CCCCc1nc(C)c(CC(=O)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073258679 562737067 /nfs/dbraw/zinc/73/70/67/562737067.db2.gz WLDSJUDMEMRNAU-UHFFFAOYSA-N 0 0 543.697 3.908 1 0 KHAFRN CCCCc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073258680 562737093 /nfs/dbraw/zinc/73/70/93/562737093.db2.gz XWMKFGAISRDVRM-OYRHEFFESA-N 0 0 555.683 3.968 1 0 KHAFRN CCCCc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073258681 562737146 /nfs/dbraw/zinc/73/71/46/562737146.db2.gz XWMKFGAISRDVRM-NHCUHLMSSA-N 0 0 555.683 3.968 1 0 KHAFRN CCCCc1nc(C)c(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073258682 562737124 /nfs/dbraw/zinc/73/71/24/562737124.db2.gz XWMKFGAISRDVRM-SFTDATJTSA-N 0 0 555.683 3.968 1 0 KHAFRN CN1C[C@](C)(COc2ccc(C(N)=[NH2+])cc2)Oc2cc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)[O-])ccc21 ZINC000073275578 562737276 /nfs/dbraw/zinc/73/72/76/562737276.db2.gz CEXWPOUPGDRFOT-HHHXNRCGSA-N 0 0 524.524 3.533 1 0 KHAFRN CN1C[C@@](C)(COc2ccc(C(N)=[NH2+])cc2)Oc2cc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)[O-])ccc21 ZINC000073275581 562737270 /nfs/dbraw/zinc/73/72/70/562737270.db2.gz CEXWPOUPGDRFOT-MHZLTWQESA-N 0 0 524.524 3.533 1 0 KHAFRN CCCCc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073292618 562737557 /nfs/dbraw/zinc/73/75/57/562737557.db2.gz QZGXBHDAIRJIOA-MHZLTWQESA-N 0 0 583.693 3.886 1 0 KHAFRN CCCCc1nc(C)c(CCC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073293403 562737549 /nfs/dbraw/zinc/73/75/49/562737549.db2.gz VIIUQRYTTGGTGH-UHFFFAOYSA-N 0 0 541.656 3.581 1 0 KHAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)no3)nc2c(=O)n(CCC)c1=O ZINC000073294113 562737589 /nfs/dbraw/zinc/73/75/89/562737589.db2.gz PZXWNFHYCQSQAL-UHFFFAOYSA-N 0 0 528.367 3.579 1 0 KHAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)no3)nc2c(=O)n(CCC)c1=O ZINC000073294117 562737610 /nfs/dbraw/zinc/73/76/10/562737610.db2.gz MNIHHYOLPVXGES-UHFFFAOYSA-N 0 0 517.468 3.835 1 0 KHAFRN CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@H](c2ccc(C)cc2)[C@H](C(=O)OC)S1(=O)=O ZINC000073295883 562737679 /nfs/dbraw/zinc/73/76/79/562737679.db2.gz SJEOLIGCEZZSJQ-WCIQWLHISA-N 0 0 500.400 3.576 1 0 KHAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)nn3C)nc2c(=O)n(CCC)c1=O ZINC000073312325 562737876 /nfs/dbraw/zinc/73/78/76/562737876.db2.gz VTNFCZODLYWAOK-UHFFFAOYSA-N 0 0 530.511 3.581 1 0 KHAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000073313596 562737947 /nfs/dbraw/zinc/73/79/47/562737947.db2.gz PLOHWRWTCCVJHZ-XMMPIXPASA-N 0 0 594.093 3.609 1 0 KHAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5cc6ccccc6cc5[nH]4)nn3C)nc2c(=O)n(CCC)c1=O ZINC000073313650 562737973 /nfs/dbraw/zinc/73/79/73/562737973.db2.gz ONUNEGDGDVVGMV-UHFFFAOYSA-N 0 0 512.574 3.715 1 0 KHAFRN COc1cc([C@H]2c3cc4c(cc3[C@H](NC(=O)c3cccs3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000073314209 562737952 /nfs/dbraw/zinc/73/79/52/562737952.db2.gz OVWFAWRMPNWMEF-GRYKHCQJSA-N 0 0 523.563 3.908 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)c3cccc5cccnc53)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000073314841 562738022 /nfs/dbraw/zinc/73/80/22/562738022.db2.gz YYSGFSOCKHKBHG-SLFPAOIGSA-N 0 0 604.637 3.944 1 0 KHAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5cc(F)c(Cl)cc5[nH]4)no3)nc2c(=O)n(CCC)c1=O ZINC000073315176 562738058 /nfs/dbraw/zinc/73/80/58/562738058.db2.gz KZZQMKPCBPMZPV-UHFFFAOYSA-N 0 0 501.906 3.609 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3cccnc3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000073315340 562738046 /nfs/dbraw/zinc/73/80/46/562738046.db2.gz DYXQDNDNNGFSHR-LOAGWBBBSA-N 0 0 597.734 3.891 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccncc3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000073315343 562738081 /nfs/dbraw/zinc/73/80/81/562738081.db2.gz NDNYFIDAEMXMHA-LOAGWBBBSA-N 0 0 597.734 3.891 1 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000073332057 562738159 /nfs/dbraw/zinc/73/81/59/562738159.db2.gz MBNYKVGBGKAAES-INEJIFKHSA-N 0 0 618.756 3.900 1 0 KHAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(N)cc2C1=O ZINC000073371649 562738423 /nfs/dbraw/zinc/73/84/23/562738423.db2.gz SPFZFEWDMPPRBA-GMAGDTKFSA-N 0 0 565.708 3.524 1 0 KHAFRN COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1[C@]1(C)OCCS1)OCO2)C(=O)OC ZINC000073371680 562738454 /nfs/dbraw/zinc/73/84/54/562738454.db2.gz IEWNSBIWRVXBKO-AREMUKBSSA-N 0 0 532.567 3.774 1 0 KHAFRN CCOC(=O)CC[C@H](NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)s1)C(=O)OCC ZINC000073371687 562738504 /nfs/dbraw/zinc/73/85/04/562738504.db2.gz XASOIPFYVYGPIV-KRWDZBQOSA-N 0 0 528.587 3.616 1 0 KHAFRN COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NCC(F)(F)F)C(C)C)c2c1 ZINC000073417190 562738758 /nfs/dbraw/zinc/73/87/58/562738758.db2.gz ADYDKTLWARMKIO-ZEQRLZLVSA-N 0 0 518.580 3.739 1 0 KHAFRN COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000079885444 562738812 /nfs/dbraw/zinc/73/88/12/562738812.db2.gz YVENLASUPXUYFI-MCBGOINZSA-N 0 0 696.886 3.897 1 0 KHAFRN COC(=O)[C@H](O[P@@](C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)nn1)C(F)(F)F ZINC000082138060 562739141 /nfs/dbraw/zinc/73/91/41/562739141.db2.gz COPHSKRKDCTOTE-JOXTZRECSA-N 0 0 720.683 3.821 1 0 KHAFRN COC(=O)[C@H](O[P@](C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)nn1)C(F)(F)F ZINC000082138061 562739150 /nfs/dbraw/zinc/73/91/50/562739150.db2.gz COPHSKRKDCTOTE-PSAKNIQBSA-N 0 0 720.683 3.821 1 0 KHAFRN COC(=O)[C@@H](O[P@@](C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)nn1)C(F)(F)F ZINC000082138062 562739153 /nfs/dbraw/zinc/73/91/53/562739153.db2.gz COPHSKRKDCTOTE-FEMLFNMPSA-N 0 0 720.683 3.821 1 0 KHAFRN COC(=O)[C@@H](O[P@](C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)nn1)C(F)(F)F ZINC000082138063 562739165 /nfs/dbraw/zinc/73/91/65/562739165.db2.gz COPHSKRKDCTOTE-GHPVFSGCSA-N 0 0 720.683 3.821 1 0 KHAFRN CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082140519 562739487 /nfs/dbraw/zinc/73/94/87/562739487.db2.gz HNBUZMMJDWRYRA-GDLZYMKVSA-N 0 0 665.191 3.647 1 0 KHAFRN COCCc1ccc(Cl)c(CN(C(=O)[C@@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082148869 562739653 /nfs/dbraw/zinc/73/96/53/562739653.db2.gz UFJPNTCHUDFJFV-LJAQVGFWSA-N 0 0 638.165 3.809 1 0 KHAFRN CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082150583 562739789 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562740871 /nfs/dbraw/zinc/74/08/71/562740871.db2.gz YIRVTKICNRGZSJ-UHFFFAOYSA-N 0 0 549.106 3.866 1 0 KHAFRN COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CNCC(F)F)ccc2Cl)C2CC2)cn1 ZINC000082157422 562740919 /nfs/dbraw/zinc/74/09/19/562740919.db2.gz VULODVFKMMIUHC-MUUNZHRXSA-N 0 0 673.161 3.975 1 0 KHAFRN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000082157897 562741005 /nfs/dbraw/zinc/74/10/05/562741005.db2.gz LKLUUPJMKYFYIM-FQEVSTJZSA-N 0 0 529.593 3.989 1 0 KHAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3Br)C[C@@]12C ZINC000082158011 562741047 /nfs/dbraw/zinc/74/10/47/562741047.db2.gz LPLNKDACKRUXCO-JEEZTOBCSA-N 0 0 511.365 3.763 1 0 KHAFRN CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)CC1 ZINC000082158242 562741085 /nfs/dbraw/zinc/74/10/85/562741085.db2.gz XWPAWCVIIJXLTE-UHFFFAOYSA-N 0 0 544.608 3.736 1 0 KHAFRN CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(=O)NCC[C@@H](O)CO)c2C1 ZINC000082158270 562741105 /nfs/dbraw/zinc/74/11/05/562741105.db2.gz SVEVUVOIIOZGQC-GFCCVEGCSA-N 0 0 577.872 3.535 1 0 KHAFRN CN(CCc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000082158862 562741142 /nfs/dbraw/zinc/74/11/42/562741142.db2.gz MDZBNLLXLAHHRL-MUUNZHRXSA-N 0 0 501.627 3.678 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000082164590 562741213 /nfs/dbraw/zinc/74/12/13/562741213.db2.gz ZRTJTRKZHALIGW-YCVJPRETSA-N 0 0 702.691 3.651 1 0 KHAFRN O=C(CNC(=O)Nc1ccc(Cl)cc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000082164610 562741199 /nfs/dbraw/zinc/74/11/99/562741199.db2.gz AXGYBEWJSSFVNK-KYJUHHDHSA-N 0 0 732.213 3.983 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=S)Nc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000082164653 562741205 /nfs/dbraw/zinc/74/12/05/562741205.db2.gz VEOJJRYGCPXWJW-POWSXZFQSA-N 0 0 725.143 3.920 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=S)Nc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000082164855 562741305 /nfs/dbraw/zinc/74/13/05/562741305.db2.gz IDAUJBZMEYJQOV-OHKIHNLFSA-N 0 0 714.264 3.951 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000082165141 562741436 /nfs/dbraw/zinc/74/14/36/562741436.db2.gz AEXSALKAOIKITL-OHKIHNLFSA-N 0 0 698.196 3.786 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000082170654 562741528 /nfs/dbraw/zinc/74/15/28/562741528.db2.gz BINIDQPUTDYBJU-SEZOVNKOSA-N 0 0 693.886 3.938 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000082170660 562741509 /nfs/dbraw/zinc/74/15/09/562741509.db2.gz BINIDQPUTDYBJU-LIIQBVBMSA-N 0 0 693.886 3.938 1 0 KHAFRN O=c1c(Cc2c(O)ccc3ccccc32)nnc2sc(-c3nn4c(nnc(Cc5c(O)ccc6ccccc65)c4=O)s3)nn21 ZINC000082175118 562741582 /nfs/dbraw/zinc/74/15/82/562741582.db2.gz SYRROAOYPFPSNC-UHFFFAOYSA-N 0 0 618.660 3.972 1 0 KHAFRN COC(=O)C1=C(OC(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000082182057 562742024 /nfs/dbraw/zinc/74/20/24/562742024.db2.gz DHHHELOPOSYEOF-JWTLCJCFSA-N 0 0 641.069 3.619 1 0 KHAFRN COC(=O)C1=C(OC(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000082182058 562742013 /nfs/dbraw/zinc/74/20/13/562742013.db2.gz DHHHELOPOSYEOF-DSEVNTPCSA-N 0 0 641.069 3.619 1 0 KHAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O ZINC000082182118 562742113 /nfs/dbraw/zinc/74/21/13/562742113.db2.gz RIIFZWGEKKTRPK-SBKPECCZSA-N 0 0 691.870 3.788 1 0 KHAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O ZINC000082182120 562742098 /nfs/dbraw/zinc/74/20/98/562742098.db2.gz RIIFZWGEKKTRPK-OIERXHDDSA-N 0 0 691.870 3.788 1 0 KHAFRN O=C(CN1CCN(C(=O)OCc2ccccc2)CCN(CC(=O)N2CCCCC2)CCN(C(=O)OCc2ccccc2)CC1)N1CCCCC1 ZINC000082182223 562742135 /nfs/dbraw/zinc/74/21/35/562742135.db2.gz ATBIKWDPTMANRY-UHFFFAOYSA-N 0 0 690.886 3.907 1 0 KHAFRN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2n2cc(Cn3cc(Cl)c(=O)[nH]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185677 562742373 /nfs/dbraw/zinc/74/23/73/562742373.db2.gz OAIKOHKGTMGNDO-CPCREDONSA-N 0 0 724.174 3.534 1 0 KHAFRN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2n2cc(Cn3cc(Cl)c(=O)[nH]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185679 562742358 /nfs/dbraw/zinc/74/23/58/562742358.db2.gz OAIKOHKGTMGNDO-OWHBQTKESA-N 0 0 724.174 3.534 1 0 KHAFRN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2n2cc(Cn3cc(Cl)c(=O)[nH]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185684 562742337 /nfs/dbraw/zinc/74/23/37/562742337.db2.gz OAIKOHKGTMGNDO-RTOKGZNSSA-N 0 0 724.174 3.534 1 0 KHAFRN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2n2cc(Cn3cc(Cl)c(=O)[nH]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185689 562742367 /nfs/dbraw/zinc/74/23/67/562742367.db2.gz OAIKOHKGTMGNDO-YKILCQELSA-N 0 0 724.174 3.534 1 0 KHAFRN COC(=O)C1=C(OC(=O)/C(=C/c2ccc(Cl)cc2)c2ccccc2)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000082190232 562742481 /nfs/dbraw/zinc/74/24/81/562742481.db2.gz VDPXKDZEFBPOEN-JWTLCJCFSA-N 0 0 641.069 3.619 1 0 KHAFRN COC(=O)C1=C(OC(=O)/C(=C/c2ccc(Cl)cc2)c2ccccc2)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000082190235 562742494 /nfs/dbraw/zinc/74/24/94/562742494.db2.gz VDPXKDZEFBPOEN-DSEVNTPCSA-N 0 0 641.069 3.619 1 0 KHAFRN CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C[C@@H]2[C@]1(OC(C)=O)C[C@@]1(C)[C@H](OC(C)=O)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)[C@H](OC(C)=O)[C@@]21C ZINC000082190800 562742655 /nfs/dbraw/zinc/74/26/55/562742655.db2.gz IKVFCMXVZDVCLH-HCZDEFTCSA-N 0 0 700.778 3.858 1 0 KHAFRN O=C(CNC(=S)Nc1ccccc1F)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000082190867 562742598 /nfs/dbraw/zinc/74/25/98/562742598.db2.gz AKQPAXTTZHUFQN-KYJUHHDHSA-N 0 0 731.826 3.633 1 0 KHAFRN COc1cc(C(=O)O[C@H]2[C@@H](OC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000082195329 562742689 /nfs/dbraw/zinc/74/26/89/562742689.db2.gz YSDMESBIEUSJBT-QVYQDBIISA-N 0 0 670.664 3.975 1 0 KHAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@H]21)[C@@H](OCC)O[C@H]3OC(C)=O ZINC000084153888 291799623 /nfs/dbraw/zinc/79/96/23/291799623.db2.gz CCCYGLFSKFPJID-PZRZUAEBSA-N 0 0 506.636 3.813 1 0 biogenic,in-vitro KHAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](OC(C)=O)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153900 560046272 /nfs/dbraw/zinc/04/62/72/560046272.db2.gz AHLOBMCYQWEIMH-XCQGBTKVSA-N 0 0 562.656 3.911 1 0 biogenic,in-vitro KHAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153908 560046273 /nfs/dbraw/zinc/04/62/73/560046273.db2.gz ILEWTGOMGUCPGF-AUNSKJOFSA-N 0 0 548.629 3.785 1 0 biogenic,in-vitro KHAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](O)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153909 291799627 /nfs/dbraw/zinc/79/96/27/291799627.db2.gz BHUYQOFSOZSSQX-XCQGBTKVSA-N 0 0 562.656 3.911 1 0 biogenic,in-vitro KHAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000084154282 560046102 /nfs/dbraw/zinc/04/61/02/560046102.db2.gz SLPUISRFGANXBA-RVLVUDRFSA-N 0 0 534.646 3.994 1 0 biogenic,in-vitro KHAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CCN(Cc2ccc(-c3ccncc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000084409967 562743078 /nfs/dbraw/zinc/74/30/78/562743078.db2.gz LJMLRDFXBGZNOB-WZXFIOQESA-N 0 0 721.777 3.727 1 0 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DDFJZBAXGSCTPS-FQEVSTJZSA-N 0 0 535.601 3.565 1 0 KHAFRN Cc1nc(N2CCC(NC(=O)CO)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084633056 562745676 /nfs/dbraw/zinc/74/56/76/562745676.db2.gz CHMSMLLJGXNQMJ-RUDMXATFSA-N 0 0 529.519 3.566 1 0 KHAFRN CC(=O)N1CCN(c2nc3c(c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)n2)CN(C(C)C)C3=O)CC1 ZINC000084633914 562745784 /nfs/dbraw/zinc/74/57/84/562745784.db2.gz XFUQSGZNGBVIKN-OAHLLOKOSA-N 0 0 506.529 3.581 1 0 KHAFRN O=C(C[C@@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OC(=O)Nc1ccccc12 ZINC000084634212 562745880 /nfs/dbraw/zinc/74/58/80/562745880.db2.gz KGYKKGCCBVALFG-JOCHJYFZSA-N 0 0 573.650 3.557 1 0 KHAFRN O=C(C[C@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OC(=O)Nc1ccccc12 ZINC000084634214 562745866 /nfs/dbraw/zinc/74/58/66/562745866.db2.gz KGYKKGCCBVALFG-QFIPXVFZSA-N 0 0 573.650 3.557 1 0 KHAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000084635010 562746033 /nfs/dbraw/zinc/74/60/33/562746033.db2.gz HWWUXSYCHUCGPO-UHFFFAOYSA-N 0 0 526.615 3.831 1 0 KHAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cc4ccccc4o3)C[C@@]12C ZINC000084635260 562746161 /nfs/dbraw/zinc/74/61/61/562746161.db2.gz YEBDIBDPJLLKGZ-KQCCJRFESA-N 0 0 510.539 3.664 1 0 KHAFRN CC(=O)N1CCC[C@H]1C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@@]2(C)[C@]3(O)CC[C@@]2(O)C(C)=O)C1 ZINC000084635412 562746165 /nfs/dbraw/zinc/74/61/65/562746165.db2.gz NOIJDHCWXWUCDW-KLVNPTENSA-N 0 0 629.791 3.546 1 0 KHAFRN O=C1CN([C@@H]2CCN(Cc3ccc4c(c3)OCO4)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635504 562746185 /nfs/dbraw/zinc/74/61/85/562746185.db2.gz SUZCPGPQKAJVFM-NZERDHAXSA-N 0 0 578.625 3.585 1 0 KHAFRN Cc1nc(N2CCN(C(=O)C3CC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084635870 562746278 /nfs/dbraw/zinc/74/62/78/562746278.db2.gz VBVNXVROVHGMMF-UHFFFAOYSA-N 0 0 529.519 3.913 1 0 KHAFRN CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1 ZINC000084636029 562746330 /nfs/dbraw/zinc/74/63/30/562746330.db2.gz RCUTXZHEBWJWPU-VMPREFPWSA-N 0 0 611.699 3.532 1 0 KHAFRN COc1cc(N2CCC(C(=O)N3CCOCC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652155 562746463 /nfs/dbraw/zinc/74/64/63/562746463.db2.gz ZUPXMFKTLSYZDB-UHFFFAOYSA-N 0 0 534.665 3.925 1 0 KHAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(CCO)n(-c3ccccc3)c2=O)nc1 ZINC000084652512 562746578 /nfs/dbraw/zinc/74/65/78/562746578.db2.gz BSFOFLYNEZXJRV-UHFFFAOYSA-N 0 0 511.538 3.936 1 0 KHAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN([C@H]3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 ZINC000084652619 562746603 /nfs/dbraw/zinc/74/66/03/562746603.db2.gz PROMNPKEVXVXDQ-RUZDIDTESA-N 0 0 535.695 3.607 1 0 KHAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN([C@@H]3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 ZINC000084652620 562746610 /nfs/dbraw/zinc/74/66/10/562746610.db2.gz PROMNPKEVXVXDQ-VWLOTQADSA-N 0 0 535.695 3.607 1 0 KHAFRN C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084652842 562746679 /nfs/dbraw/zinc/74/66/79/562746679.db2.gz IXMPFQTXZMFYHD-MYUZEXMDSA-N 0 0 553.619 3.982 1 0 KHAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084653150 562746790 /nfs/dbraw/zinc/74/67/90/562746790.db2.gz AVIDRKWFHQXSDT-UHFFFAOYSA-N 0 0 564.602 3.847 1 0 KHAFRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC(=O)[O-])c(OCCc2c[nH]c3ccccc23)c1 ZINC000084653433 562746889 /nfs/dbraw/zinc/74/68/89/562746889.db2.gz YKFPZIQSYMBOFI-CUBQBAPOSA-N 0 0 611.655 3.525 1 0 KHAFRN CCOC(=O)CN(CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084653961 562747106 /nfs/dbraw/zinc/74/71/06/562747106.db2.gz HPJURBHZHMRPFE-XMMPIXPASA-N 0 0 553.404 3.541 1 0 KHAFRN CCOC(=O)CN(CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084653962 562747112 /nfs/dbraw/zinc/74/71/12/562747112.db2.gz HPJURBHZHMRPFE-DEOSSOPVSA-N 0 0 553.404 3.541 1 0 KHAFRN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OC(=O)OCC(C)C)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000084654057 562747152 /nfs/dbraw/zinc/74/71/52/562747152.db2.gz LBFGVOFBYKGNNL-FYEBJQQMSA-N 0 0 578.642 3.814 1 0 KHAFRN C/C=C1\CN2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6cc(OC)c(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5OC(C)=O ZINC000084654240 562747232 /nfs/dbraw/zinc/74/72/32/562747232.db2.gz RFEYKMMVMCHTDY-CVEBZHOXSA-N 0 0 588.657 3.507 1 0 KHAFRN COc1cc2c(cc1Nc1ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n1)CC[C@H]([NH+]1CCOCC1)CC2 ZINC000084654309 562747194 /nfs/dbraw/zinc/74/71/94/562747194.db2.gz RHASSTKLKPXOCX-PDULFCFVSA-N 0 0 539.080 3.550 1 0 KHAFRN COc1cc2c(cc1Nc1ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n1)CC[C@@H]([NH+]1CCOCC1)CC2 ZINC000084654311 562747219 /nfs/dbraw/zinc/74/72/19/562747219.db2.gz RHASSTKLKPXOCX-TZLNSBNCSA-N 0 0 539.080 3.550 1 0 KHAFRN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000084654705 562747285 /nfs/dbraw/zinc/74/72/85/562747285.db2.gz DPQSTRLRNHZSGH-MCHVBHGGSA-N 0 0 582.633 3.862 1 0 KHAFRN COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(S(=O)(=O)C(F)(F)F)CC2 ZINC000084655078 562747411 /nfs/dbraw/zinc/74/74/11/562747411.db2.gz TYWOHBYMLGYPND-ZDUSSCGKSA-N 0 0 503.495 3.789 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nnc(-c5cccnc5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000084668371 562747566 /nfs/dbraw/zinc/74/75/66/562747566.db2.gz IGNNRIJBOJGQIS-LVEBQJTPSA-N 0 0 558.547 3.974 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nnc(-c5ccncc5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000084668703 562747712 /nfs/dbraw/zinc/74/77/12/562747712.db2.gz QLSANHZWTKBKOJ-LVEBQJTPSA-N 0 0 558.547 3.974 1 0 KHAFRN O=C(Cc1ccc(Cl)cc1)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000084668920 562747830 /nfs/dbraw/zinc/74/78/30/562747830.db2.gz ZIKSLKHARJRZCC-RUZDIDTESA-N 0 0 503.986 3.838 1 0 KHAFRN [NH3+][C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OCCc1c[nH]c2ccccc12 ZINC000084669376 562747948 /nfs/dbraw/zinc/74/79/48/562747948.db2.gz ZGKKIJHWOKTXSF-DEOSSOPVSA-N 0 0 553.619 3.984 1 0 KHAFRN COc1cccc2cc(C(=O)NCCCOCCCCOCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc21 ZINC000084669746 562748091 /nfs/dbraw/zinc/74/80/91/562748091.db2.gz JNCOYVVDNPCLKB-UHFFFAOYSA-N 0 0 606.676 3.909 1 0 KHAFRN Cc1c(-c2cc3cnc(Nc4cc(C(=O)N5CCN(C)CC5)n(C)c4)nc3n2C2CCCC2)cnn1C ZINC000084669766 562748067 /nfs/dbraw/zinc/74/80/67/562748067.db2.gz HCDXOVUMIOIELK-UHFFFAOYSA-N 0 0 501.639 3.725 1 0 KHAFRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084670367 562748241 /nfs/dbraw/zinc/74/82/41/562748241.db2.gz DNSNTGYFSRRAOW-YPKYBTACSA-N 0 0 631.693 3.687 1 0 KHAFRN CC(C)(C)OC(=O)CN(CCCOc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084670433 562748278 /nfs/dbraw/zinc/74/82/78/562748278.db2.gz VXGHFHIQAWKMRA-AREMUKBSSA-N 0 0 502.562 3.557 1 0 KHAFRN CC(C)(C)OC(=O)CN(CCCOc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084670434 562748271 /nfs/dbraw/zinc/74/82/71/562748271.db2.gz VXGHFHIQAWKMRA-SANMLTNESA-N 0 0 502.562 3.557 1 0 KHAFRN O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)OCc1cccnc1 ZINC000084670456 562748284 /nfs/dbraw/zinc/74/82/84/562748284.db2.gz JOUDYLFKJIFHRC-UHFFFAOYSA-N 0 0 556.623 3.861 1 0 KHAFRN CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(COC(=O)c4cccnc4)[C@H](OC(C)=O)C[C@H]4[C@@H]([C@H]3[C@](C)(O)C(=O)[C@@]2(O)C[C@@H]1C)C4(C)C ZINC000084670504 562748277 /nfs/dbraw/zinc/74/82/77/562748277.db2.gz YBQSFXRYGVNLMN-LCEFJOFOSA-N 0 0 691.774 3.717 1 0 KHAFRN CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc(N)c(Cl)c4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1 ZINC000084671668 562748627 /nfs/dbraw/zinc/74/86/27/562748627.db2.gz XZTQXLZIVTWCHQ-UHFFFAOYSA-N 0 0 580.057 3.577 1 0 KHAFRN CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1 ZINC000084671671 562748621 /nfs/dbraw/zinc/74/86/21/562748621.db2.gz SSXYYDBAADWFIY-UHFFFAOYSA-N 0 0 529.062 3.717 1 0 KHAFRN Cc1nc(CN/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc4ccccc4)NC(=O)O[C@H]4CO[C@H]5OCC[C@@H]45)cc32)cs1 ZINC000084671895 562748672 /nfs/dbraw/zinc/74/86/72/562748672.db2.gz OXZGBVVGLHNXJU-YMDXMGKCSA-N 0 0 725.890 3.641 1 0 KHAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NCCc1ccccc1)C(=O)N2 ZINC000084672002 562748727 /nfs/dbraw/zinc/74/87/27/562748727.db2.gz AVFIAAGRZDDTJL-UMQFWBLRSA-N 0 0 718.873 3.918 1 0 KHAFRN CN1C(=O)N(C[C@H](O)CN2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000084672022 562748700 /nfs/dbraw/zinc/74/87/00/562748700.db2.gz KWLDOZWPBUYGQO-XMMPIXPASA-N 0 0 519.045 3.661 1 0 KHAFRN CN1C(=O)N(C[C@@H](O)CN2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000084672023 562748703 /nfs/dbraw/zinc/74/87/03/562748703.db2.gz KWLDOZWPBUYGQO-DEOSSOPVSA-N 0 0 519.045 3.661 1 0 KHAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NCc1ccccc1)C(=O)N2 ZINC000084672161 562748760 /nfs/dbraw/zinc/74/87/60/562748760.db2.gz SQZYUBULZKEAGK-JEIJZZFNSA-N 0 0 704.846 3.876 1 0 KHAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NCCNc1ccccc1)C(=O)N2 ZINC000084672372 562748824 /nfs/dbraw/zinc/74/88/24/562748824.db2.gz CNISQKZTSAQSJS-UMQFWBLRSA-N 0 0 733.888 3.788 1 0 KHAFRN CC(C)(O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N3CCCC3)oc2c1 ZINC000084672430 562748808 /nfs/dbraw/zinc/74/88/08/562748808.db2.gz TYMVVKFVVZHPCX-IZZNHLLZSA-N 0 0 607.733 3.996 1 0 KHAFRN CCOC(=O)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000084687239 562748851 /nfs/dbraw/zinc/74/88/51/562748851.db2.gz OMWQHRKLBJAXBX-INIZCTEOSA-N 0 0 516.542 3.578 1 0 KHAFRN CCOC(=O)CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000084687240 562748875 /nfs/dbraw/zinc/74/88/75/562748875.db2.gz OMWQHRKLBJAXBX-MRXNPFEDSA-N 0 0 516.542 3.578 1 0 KHAFRN O=c1c(O[C@@H]2CCc3cccnc32)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084687451 562748950 /nfs/dbraw/zinc/74/89/50/562748950.db2.gz ANDIUCRJLWHYQF-AREMUKBSSA-N 0 0 578.094 3.999 1 0 KHAFRN O=c1c(O[C@H]2CCc3cccnc32)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084687452 562748949 /nfs/dbraw/zinc/74/89/49/562748949.db2.gz ANDIUCRJLWHYQF-SANMLTNESA-N 0 0 578.094 3.999 1 0 KHAFRN O=c1c(OCCc2ccccn2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084687453 562748945 /nfs/dbraw/zinc/74/89/45/562748945.db2.gz IKDATYSMOQZCCN-UHFFFAOYSA-N 0 0 566.083 3.554 1 0 KHAFRN COc1cc(CN2CCN(CC(=O)Nc3ccc4c(c3)CCc3n[nH]c(=O)n3-4)CC2)ccc1Cc1ccc(Cl)cc1 ZINC000084688403 562749200 /nfs/dbraw/zinc/74/92/00/562749200.db2.gz GIEWETWGNIKTNQ-UHFFFAOYSA-N 0 0 573.097 3.668 1 0 KHAFRN CN(C)c1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1 ZINC000084688452 562749186 /nfs/dbraw/zinc/74/91/86/562749186.db2.gz PHAFTQNLBTWSCJ-UHFFFAOYSA-N 0 0 572.131 3.783 1 0 KHAFRN CNc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1 ZINC000084689343 562749353 /nfs/dbraw/zinc/74/93/53/562749353.db2.gz RDQCMUFCMHCRDJ-UHFFFAOYSA-N 0 0 558.104 3.759 1 0 KHAFRN O=C(N[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000084689664 562749374 /nfs/dbraw/zinc/74/93/74/562749374.db2.gz QVCGZWIZRGPITM-OLFGWTBBSA-N 0 0 523.589 3.807 1 0 KHAFRN CCN(C)c1nc2ccc(C(=O)N(C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084689847 562749424 /nfs/dbraw/zinc/74/94/24/562749424.db2.gz PPKRNTJCUJJRGN-XZOQPEGZSA-N 0 0 537.642 3.711 1 0 KHAFRN CCc1cc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)ccc1N ZINC000084690088 562749456 /nfs/dbraw/zinc/74/94/56/562749456.db2.gz ALMBUVBONGFNIB-UHFFFAOYSA-N 0 0 572.131 3.861 1 0 KHAFRN CCNc1nc2ccc(C(=O)N(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)CC(C)(C)O)cc2o1 ZINC000084690188 562749507 /nfs/dbraw/zinc/74/95/07/562749507.db2.gz HFPGPGDSWIYRPR-BJKOFHAPSA-N 0 0 581.695 3.828 1 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(CCN1CCOCC1)C(=O)c1ccc2nc(N3CCCC3)oc2c1)OCc1cncs1 ZINC000084690190 562749516 /nfs/dbraw/zinc/74/95/16/562749516.db2.gz RCDVRXHRLWGUQK-URLMMPGGSA-N 0 0 648.786 3.558 1 0 KHAFRN O=C(c1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690211 562749496 /nfs/dbraw/zinc/74/94/96/562749496.db2.gz DDFNGYBINAZREK-RNPORBBMSA-N 0 0 594.708 3.946 1 0 KHAFRN O=C(c1ccccc1)c1ccccc1OC[C@@H](O)CN1CCN(C[C@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690212 562749520 /nfs/dbraw/zinc/74/95/20/562749520.db2.gz DDFNGYBINAZREK-KYJUHHDHSA-N 0 0 594.708 3.946 1 0 KHAFRN O=C(c1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690213 562749518 /nfs/dbraw/zinc/74/95/18/562749518.db2.gz DDFNGYBINAZREK-LOYHVIPDSA-N 0 0 594.708 3.946 1 0 KHAFRN O=c1c(OCC2(CF)CC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084690223 562749537 /nfs/dbraw/zinc/74/95/37/562749537.db2.gz GYPJLFYAENCNCK-UHFFFAOYSA-N 0 0 547.052 3.666 1 0 KHAFRN COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)c2ccc(CO)o2)[C@H]3c2ccccc2)cc1 ZINC000084690398 562749594 /nfs/dbraw/zinc/74/95/94/562749594.db2.gz BSYHCYYZVQUYJL-DMBXUQNDSA-N 0 0 558.583 3.931 1 0 KHAFRN COc1cccc([C@H]2O[C@H](CC(=O)N3CC[NH+](CC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084690457 562749610 /nfs/dbraw/zinc/74/96/10/562749610.db2.gz LTJQSWFCKJYKIT-SHQCIBLASA-N 0 0 540.016 3.928 1 0 KHAFRN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000084690515 562749645 /nfs/dbraw/zinc/74/96/45/562749645.db2.gz DBBOQJMMLCGLIJ-LJQANCHMSA-N 0 0 501.586 3.729 1 0 KHAFRN Cc1sc(N)nc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C)c2=O ZINC000084690660 562749702 /nfs/dbraw/zinc/74/97/02/562749702.db2.gz XRYQOVSUBOQIBV-UHFFFAOYSA-N 0 0 508.007 3.571 1 0 KHAFRN Cc1nc(N)sc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C)c2=O ZINC000084690661 562749711 /nfs/dbraw/zinc/74/97/11/562749711.db2.gz MQYONLVEPCXUHN-UHFFFAOYSA-N 0 0 508.007 3.571 1 0 KHAFRN CCOc1cc2cc(-c3c(C)nc(Nc4ccccc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1 ZINC000084690703 562749719 /nfs/dbraw/zinc/74/97/19/562749719.db2.gz VBHIGOAEZZTVTN-WRGFRKCQSA-N 0 0 505.575 3.558 1 0 KHAFRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2ccc(NC(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc2)nc3N)[C@H](O)[C@@H]1O ZINC000084704591 562749831 /nfs/dbraw/zinc/74/98/31/562749831.db2.gz TXMBOCGCZJDFNZ-ACIRYHQQSA-N 0 0 658.804 3.666 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)cnn1-c1cc(F)cc(F)c1 ZINC000084704937 562749832 /nfs/dbraw/zinc/74/98/32/562749832.db2.gz NIAOQGKUTDWVTB-UHFFFAOYSA-N 0 0 548.587 3.623 1 0 KHAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cnn1-c1cccc(Cl)c1 ZINC000084704941 562749849 /nfs/dbraw/zinc/74/98/49/562749849.db2.gz GVJKFTYKCABHLR-UHFFFAOYSA-N 0 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ZINC000084707163 562750066 /nfs/dbraw/zinc/75/00/66/562750066.db2.gz MCUBNRLYSMTCTN-JMQGSBJISA-N 0 0 601.466 3.828 1 0 KHAFRN Cc1nc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(ccnc2N)s1 ZINC000084707430 562750072 /nfs/dbraw/zinc/75/00/72/562750072.db2.gz FNNVJISGGIXAPY-HRFIWYMSSA-N 0 0 591.616 3.625 1 0 KHAFRN CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1 ZINC000084708321 562750174 /nfs/dbraw/zinc/75/01/74/562750174.db2.gz LDLFACWNQYDGHZ-NRFANRHFSA-N 0 0 510.015 3.995 1 0 KHAFRN O=S(=O)(/C=C/S(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(CS(=O)(=O)Nc2ccc(Cl)cc2)s1 ZINC000084708593 562750195 /nfs/dbraw/zinc/75/01/95/562750195.db2.gz SBBAKIVEOWVZIM-MDZDMXLPSA-N 0 0 568.507 3.647 1 0 KHAFRN COc1cc(-c2nnc(SCC(=O)c3ccccc3)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084710005 562750443 /nfs/dbraw/zinc/75/04/43/562750443.db2.gz HDTGHSUSGMDJFA-UHFFFAOYSA-N 0 0 530.562 3.878 1 0 KHAFRN COc1ccc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N2C(=O)c3ccccc3C2=O)cc1 ZINC000084710007 562750432 /nfs/dbraw/zinc/75/04/32/562750432.db2.gz SIMODZBLTQFYRG-UHFFFAOYSA-N 0 0 560.588 3.887 1 0 KHAFRN Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1 ZINC000084710225 562750466 /nfs/dbraw/zinc/75/04/66/562750466.db2.gz AMJQDHGVBVICLP-UHFFFAOYSA-N 0 0 560.611 3.763 1 0 KHAFRN Cc1cc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)ccc1N ZINC000084710510 562750517 /nfs/dbraw/zinc/75/05/17/562750517.db2.gz UWABFAUNCKMTPQ-UHFFFAOYSA-N 0 0 558.104 3.607 1 0 KHAFRN C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000084710972 562750546 /nfs/dbraw/zinc/75/05/46/562750546.db2.gz GWAJYOYPXYSDHT-IOWSJCHKSA-N 0 0 571.628 3.947 1 0 KHAFRN Cc1nc(N[C@H](C)c2ccc(-c3cnn(C)c3)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1 ZINC000084711327 562750688 /nfs/dbraw/zinc/75/06/88/562750688.db2.gz DRSLPPUGUQKXRK-UHCVAXJUSA-N 0 0 572.695 3.545 1 0 KHAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N)oc2c1 ZINC000084712280 562750744 /nfs/dbraw/zinc/75/07/44/562750744.db2.gz HKJYWDQSNKARFG-XZOQPEGZSA-N 0 0 537.642 3.863 1 0 KHAFRN O=C(CCCCC(=O)OCc1cn(CCc2ccccc2)nn1)OCc1cn(CCc2ccccc2)nn1 ZINC000084712587 562750840 /nfs/dbraw/zinc/75/08/40/562750840.db2.gz YGGCTWVBZXJQKF-UHFFFAOYSA-N 0 0 516.602 3.702 1 0 KHAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](COC(=O)CCCCCCCCCCCCC(=O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3F)O2)c(=O)[nH]c1=O ZINC000084714079 562750930 /nfs/dbraw/zinc/75/09/30/562750930.db2.gz ZSRRMBLXZNUDAA-BQXGFVACSA-N 0 0 710.772 3.722 1 0 KHAFRN CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)[nH][nH]c-2cc1=O ZINC000084722803 562751082 /nfs/dbraw/zinc/75/10/82/562751082.db2.gz KBWLLBQRVQWYAU-UHFFFAOYSA-N 0 0 513.019 3.834 1 0 KHAFRN COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(N3CCOCC3=O)cc2)c(OC)c1 ZINC000084722847 562751047 /nfs/dbraw/zinc/75/10/47/562751047.db2.gz PKGOCJFYPZTJQO-NDEPHWFRSA-N 0 0 557.647 3.616 1 0 KHAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OC[C@H](OCc3ccccc3)[C@@H]12)S(=O)(=O)c1ccc(N)cc1 ZINC000084723352 562751071 /nfs/dbraw/zinc/75/10/71/562751071.db2.gz LXWSZVNQFCAZKP-KLGVQLDVSA-N 0 0 653.798 3.571 1 0 KHAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NCC(C)(C)C)C(=O)N2 ZINC000084723954 562751132 /nfs/dbraw/zinc/75/11/32/562751132.db2.gz ALMLRPIAPOAIKF-XUHCQQGNSA-N 0 0 684.856 3.722 1 0 KHAFRN CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCOCC2=O)cc1 ZINC000084724688 562751197 /nfs/dbraw/zinc/75/11/97/562751197.db2.gz BIYDTWBPWRGALI-SANMLTNESA-N 0 0 518.013 3.862 1 0 KHAFRN COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(N3CCOCC3=O)cc2)cc1 ZINC000084724695 562751199 /nfs/dbraw/zinc/75/11/99/562751199.db2.gz CICWPVIWBHKZRY-NDEPHWFRSA-N 0 0 527.621 3.608 1 0 KHAFRN C[C@H](O)c1ccc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCCOCC(F)(F)F)nc2)CO3)cn1 ZINC000084725441 562751242 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CNC(=O)NC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)Nc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000084732686 562751870 /nfs/dbraw/zinc/75/18/70/562751870.db2.gz YXZPIOOHOYHSEL-CTDWIVFPSA-N 0 0 650.652 3.748 1 0 KHAFRN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OCCOC(=O)C(C)(C)C)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000084739765 562752022 /nfs/dbraw/zinc/75/20/22/562752022.db2.gz JIIZTOSKCRCEEV-XDGUSUJASA-N 0 0 606.696 3.611 1 0 KHAFRN Cn1cncc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C1CC1)c2=O ZINC000084739985 562752039 /nfs/dbraw/zinc/75/20/39/562752039.db2.gz MQIWUOJGLGRHGX-UHFFFAOYSA-N 0 0 501.978 3.755 1 0 KHAFRN CCCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCC(C(N)=O)CC3)cc21 ZINC000084740221 562752047 /nfs/dbraw/zinc/75/20/47/562752047.db2.gz YYNVSZOGJUUTLY-UHFFFAOYSA-N 0 0 508.594 3.581 1 0 KHAFRN CC(=O)c1cc(-c2c3c(nn2Cc2ccnc4ccc(Cl)cc24)n(CC2CC2)c(=O)n(C)c3=O)n(C)c1 ZINC000084740462 562752081 /nfs/dbraw/zinc/75/20/81/562752081.db2.gz FRMIYKCJJMTRES-UHFFFAOYSA-N 0 0 516.989 3.765 1 0 KHAFRN COc1ccc(CNc2nc(N3CCC[C@H](O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CCC[C@H](O)C4)nc23)cc1 ZINC000084740854 562752102 /nfs/dbraw/zinc/75/21/02/562752102.db2.gz BCDFELDBHYGTJR-ZEQRLZLVSA-N 0 0 600.724 3.583 1 0 KHAFRN COc1ccc(CNc2nc(N3CCC[C@@H](O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CCC[C@H](O)C4)nc23)cc1 ZINC000084740859 562752097 /nfs/dbraw/zinc/75/20/97/562752097.db2.gz BCDFELDBHYGTJR-PSWAGMNNSA-N 0 0 600.724 3.583 1 0 KHAFRN COc1ccc(CNc2nc(N3CCC(O)CC3)nc3c(NCc4ccc(OC)cc4)nc(N4CCC(O)CC4)nc23)cc1 ZINC000084742440 562752258 /nfs/dbraw/zinc/75/22/58/562752258.db2.gz HCWMZMXLYJVNIP-UHFFFAOYSA-N 0 0 600.724 3.583 1 0 KHAFRN COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCO)n(C)c4)n(C)c3)cc2)c1 ZINC000084742445 562752250 /nfs/dbraw/zinc/75/22/50/562752250.db2.gz MCSPGNBZEROUAN-BQYQJAHWSA-N 0 0 541.608 3.769 1 0 KHAFRN C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCOCC5)cc4OC)ncc3CN(C)C2=O)c1 ZINC000084756785 562752310 /nfs/dbraw/zinc/75/23/10/562752310.db2.gz MYGPUCMHVBVSTH-UHFFFAOYSA-N 0 0 515.574 3.893 1 0 KHAFRN Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000084757496 562752448 /nfs/dbraw/zinc/75/24/48/562752448.db2.gz UYSCQHZKSYIHKI-QFIPXVFZSA-N 0 0 505.706 3.840 1 0 KHAFRN Cc1ccc(C[C@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000084757498 562752442 /nfs/dbraw/zinc/75/24/42/562752442.db2.gz UYSCQHZKSYIHKI-JOCHJYFZSA-N 0 0 505.706 3.840 1 0 KHAFRN Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C ZINC000084757605 562752432 /nfs/dbraw/zinc/75/24/32/562752432.db2.gz YNMZLGVEFKRTOM-FQEVSTJZSA-N 0 0 523.696 3.979 1 0 KHAFRN Cc1ccc(C[C@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C ZINC000084757607 562752445 /nfs/dbraw/zinc/75/24/45/562752445.db2.gz YNMZLGVEFKRTOM-HXUWFJFHSA-N 0 0 523.696 3.979 1 0 KHAFRN COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc(OC)c1OC ZINC000084757659 562752440 /nfs/dbraw/zinc/75/24/40/562752440.db2.gz PFMKEDBKQGJNML-UHFFFAOYSA-N 0 0 550.637 3.928 1 0 KHAFRN O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000084757676 562752439 /nfs/dbraw/zinc/75/24/39/562752439.db2.gz FLSXUPYFSAOAPO-NRFANRHFSA-N 0 0 502.398 3.551 1 0 KHAFRN O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000084757679 562752423 /nfs/dbraw/zinc/75/24/23/562752423.db2.gz LLGSNBHHUKRXAY-NRFANRHFSA-N 0 0 502.398 3.551 1 0 KHAFRN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OC(=O)C(C)(C)C)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000084757742 562752479 /nfs/dbraw/zinc/75/24/79/562752479.db2.gz LEPCKTURENVSIR-HMLJSJRSSA-N 0 0 562.643 3.594 1 0 KHAFRN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OCCOC(=O)OCC(C)C)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000084757824 562752492 /nfs/dbraw/zinc/75/24/92/562752492.db2.gz UVGMWGVOLZFARX-MCHVBHGGSA-N 0 0 622.695 3.831 1 0 KHAFRN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OCCOC(=O)c3ccccc3)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000084758048 562752497 /nfs/dbraw/zinc/75/24/97/562752497.db2.gz INRGZZAGOBHDFD-PZKMMKTLSA-N 0 0 626.686 3.878 1 0 KHAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC([C@@](O)(c3ccccc3)c3cccnc3)CC2)cc1 ZINC000084758247 562752553 /nfs/dbraw/zinc/75/25/53/562752553.db2.gz HQFQOVLKXNOTMO-SANMLTNESA-N 0 0 510.685 3.677 1 0 KHAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC([C@](O)(c3ccccc3)c3cccnc3)CC2)cc1 ZINC000084758248 562752571 /nfs/dbraw/zinc/75/25/71/562752571.db2.gz HQFQOVLKXNOTMO-AREMUKBSSA-N 0 0 510.685 3.677 1 0 KHAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC([C@@](O)(c3ccccc3)c3ccccn3)CC2)cc1 ZINC000084758249 562752558 /nfs/dbraw/zinc/75/25/58/562752558.db2.gz BXCYJXBBWDBDTI-SANMLTNESA-N 0 0 510.685 3.677 1 0 KHAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC([C@](O)(c3ccccc3)c3ccccn3)CC2)cc1 ZINC000084758250 562752536 /nfs/dbraw/zinc/75/25/36/562752536.db2.gz BXCYJXBBWDBDTI-AREMUKBSSA-N 0 0 510.685 3.677 1 0 KHAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H]1CCCN1C(=O)COc1c(C)cccc1C ZINC000084758936 562752774 /nfs/dbraw/zinc/75/27/74/562752774.db2.gz KVJAYJAKAUAELO-JEOYYCIPSA-N 0 0 574.718 3.818 1 0 KHAFRN CCCC[C@H](O)[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)[O-])[NH2+]C[C@H](C)O ZINC000085490762 560075425 /nfs/dbraw/zinc/07/54/25/560075425.db2.gz ZWPKVZNVTIFPPI-UVBJHJRVSA-N 0 0 563.776 3.892 1 0 biogenic,in-vitro KHAFRN CCCC[C@H](O)[C@H](O)/C=C/C(Cc1cccc(O)c1)=C(/CCCC[C@H](CCC(=O)[O-])[NH2+]CC)C[C@H](O)CO ZINC000085490793 291807138 /nfs/dbraw/zinc/80/71/38/291807138.db2.gz CIZHFQYFMPRWHH-ZUSZTPOLSA-N 0 0 535.722 3.846 1 0 biogenic,in-vitro KHAFRN C[C@@H](C/C=C/c1ccccc1)CC[NH2+]C[C@@]1(O)[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]1Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000085491370 291818635 /nfs/dbraw/zinc/81/86/35/291818635.db2.gz FFJKKXBRIJTTSY-FDNHMRGSSA-N 0 0 631.678 3.526 1 0 biogenic,in-vitro KHAFRN CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@@]34C[C@@H](OC3(C)C)C(C)=C4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C ZINC000085492257 291802747 /nfs/dbraw/zinc/80/27/47/291802747.db2.gz 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509.555 3.545 1 0 biogenic,in-vitro KHAFRN CCCCCCC(=O)O[C@H]1[C@@H](OC(=O)/C(=C/c2ccc(O)c(OC)c2)C[C@H](CCO)c2cccc(CCO)c2)[C@H](O)O[C@@H](C)[C@@H]1O ZINC000085595380 291805772 /nfs/dbraw/zinc/80/57/72/291805772.db2.gz JMNYPWAICLKSSV-IQMBPHSWSA-N 0 0 644.758 3.767 1 0 biogenic,in-vitro KHAFRN CCCCCCC(=O)O[C@H]1[C@@H](OC(=O)/C(=C/c2ccc(O)c(OC)c2)CCc2cccc(CCO)c2)[C@H](O)O[C@@H](C)[C@@H]1O ZINC000085595401 291805763 /nfs/dbraw/zinc/80/57/63/291805763.db2.gz OJWMYAURULMVQS-ZEXSHBRNSA-N 0 0 600.705 3.844 1 0 biogenic,in-vitro KHAFRN CCCCCCC(=O)O[C@H]1[C@@H](OC(=O)/C(=C/c2ccc(O)c(OC)c2)Cc2ccccc2)[C@H](O)O[C@@H](C)[C@@H]1O ZINC000085595419 291805768 /nfs/dbraw/zinc/80/57/68/291805768.db2.gz VPWSLPIDNAGWKD-XFVXMYLQSA-N 0 0 542.625 3.919 1 0 biogenic,in-vitro KHAFRN COc1cc([C@H]2C[C@H]3[C@H](CO)c4cc(O)c(OC)cc4C[C@@H]3[C@H](OC(C)=O)C[C@@H](OC(C)=O)C2)ccc1O ZINC000085595517 291814943 /nfs/dbraw/zinc/81/49/43/291814943.db2.gz BYVUIIVHDURTKA-MCHJJHGBSA-N 0 0 528.598 3.811 1 0 biogenic,in-vitro KHAFRN COc1cc(C[C@@H]2[C@@H](O)CC[C@H]([C@H](CCc3ccc(O)c(OC4CCCC4)c3)OCO)[C@H]2O)cc(OC)c1O ZINC000085595666 291814063 /nfs/dbraw/zinc/81/40/63/291814063.db2.gz WEKBIZHUJNSPDX-OMKYDFHHSA-N 0 0 546.657 3.695 1 0 biogenic,in-vitro KHAFRN COc1cc(C[C@H](CO)[C@H](O)C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)OCO)cc(OC)c1O ZINC000085595678 560063725 /nfs/dbraw/zinc/06/37/25/560063725.db2.gz DDKKETWXNBHXCF-NMVJMZGASA-N 0 0 534.646 3.696 1 0 biogenic,in-vitro KHAFRN COc1cc(CC[C@H](O)C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)OCO)cc(OCO)c1O ZINC000085595689 560063732 /nfs/dbraw/zinc/06/37/32/560063732.db2.gz JOUFYCLXSWTQII-GMAHTHKFSA-N 0 0 520.619 3.798 1 0 biogenic,in-vitro KHAFRN COc1cc(CC[C@H](O)C[C@@H](OCO)[C@H](CCO)Cc2ccc(O)c(OC3CCCC3)c2)cc(OC)c1O ZINC000085595713 560063637 /nfs/dbraw/zinc/06/36/37/560063637.db2.gz GYJBBUFIYFWWAG-OTNCWRBYSA-N 0 0 534.646 3.696 1 0 biogenic,in-vitro KHAFRN COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC[C@H]2[NH2+][C@@H](C)CC[C@]2(CC(=O)[O-])Cc2ccnc(N)c2)c1O ZINC000085596572 291814946 /nfs/dbraw/zinc/81/49/46/291814946.db2.gz BUTKHALSNNPEOM-GCXSPXERSA-N 0 0 681.783 3.849 1 0 biogenic,in-vitro KHAFRN CC[NH2+][C@H](COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O)[C@H](CC(=O)[O-])Cc1ccnc(N)c1 ZINC000085596584 565155948 /nfs/dbraw/zinc/15/59/48/565155948.db2.gz USASJUBRPZWOCV-LUUVBJOYSA-N 0 0 683.799 3.605 1 0 biogenic,in-vitro KHAFRN CC[NH2+][C@H](COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O)[C@H]1[C@H](c2ccnc(N)c2)C=C[C@@H]1C(=O)[O-] ZINC000085596588 565155845 /nfs/dbraw/zinc/15/58/45/565155845.db2.gz PJPXQGSKZGSJNW-ZQHVAKAWSA-N 0 0 679.767 3.654 1 0 biogenic,in-vitro KHAFRN CC[NH2+][C@H](COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O)[C@H](CC(=O)[O-])Cc1ccnc(N)c1 ZINC000085596605 565156087 /nfs/dbraw/zinc/15/60/87/565156087.db2.gz JUMZMZUHKIVALP-VYTBTSRTSA-N 0 0 639.746 3.997 1 0 biogenic,in-vitro KHAFRN COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@@H]4[NH2+][C@H](C)CC[C@@H]4CC(=O)[O-])c3)O2)ccc1O ZINC000085596614 560063344 /nfs/dbraw/zinc/06/33/44/560063344.db2.gz BSRZYEOTCWBFRN-QQSORAOJSA-N 0 0 559.656 3.939 1 0 biogenic,in-vitro KHAFRN CC[NH2+][C@H](CCC(=O)[O-])COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O ZINC000085596639 560063296 /nfs/dbraw/zinc/06/32/96/560063296.db2.gz DYTRJQSLPFINME-FBPBVXOASA-N 0 0 533.618 3.551 1 0 biogenic,in-vitro KHAFRN CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@@H]1C[C@H](CO)CCC[C@H](CCO)C1 ZINC000085629340 565162164 /nfs/dbraw/zinc/16/21/64/565162164.db2.gz UNLVIBCPNWXLTM-ZROKMFMISA-N 0 0 616.752 3.781 1 0 biogenic,in-vitro KHAFRN CC[C@H](CO)CC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(N)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629472 291809737 /nfs/dbraw/zinc/80/97/37/291809737.db2.gz AVTIVSRDHRVBND-KSNOWIBYSA-N 0 0 516.635 3.954 1 0 biogenic,in-vitro KHAFRN CC[C@H](O)CC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(N)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629506 560068458 /nfs/dbraw/zinc/06/84/58/560068458.db2.gz MAIPNZIASOFQAZ-VXNXHJTFSA-N 0 0 502.608 3.706 1 0 biogenic,in-vitro KHAFRN CCC[C@H](CO)CCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631388 565164336 /nfs/dbraw/zinc/16/43/36/565164336.db2.gz LYDDGOUBWKAVSW-CSSSHJQASA-N 0 0 618.751 3.883 1 0 biogenic,in-vitro KHAFRN COc1cc(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC)c2)c2cccc(O)c2)ccc1O ZINC000085632305 560067624 /nfs/dbraw/zinc/06/76/24/560067624.db2.gz WMFDLYFNKIFZLU-JZOXGFSOSA-N 0 0 574.650 3.829 1 0 biogenic,in-vitro KHAFRN COc1cc(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cccc(O)c2)ccc1O ZINC000085632308 565166614 /nfs/dbraw/zinc/16/66/14/565166614.db2.gz CYMGPPWHOJMYSY-GLONKAABSA-N 0 0 617.719 3.981 1 0 biogenic,in-vitro KHAFRN COc1cc(C[C@H](Cc2ccccc2)[C@H](O)CC(=O)CCc2ccc(O)c(OCNC[C@H](C)O)c2)ccc1O ZINC000085632416 560067615 /nfs/dbraw/zinc/06/76/15/560067615.db2.gz WNMAQXXXFRJRGX-KNRJGFMHSA-N 0 0 537.653 3.767 1 0 biogenic,in-vitro KHAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c([C@H](CO)[C@H](O)c3ccc(O)c(OC)c3)c2)cc1OC ZINC000085644743 291814689 /nfs/dbraw/zinc/81/46/89/291814689.db2.gz HDTODGZKAUQBPM-WHNHDLKRSA-N 0 0 568.619 3.516 1 0 biogenic,in-vitro KHAFRN COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc([C@@H](O)CNC(C)=O)cc1Br)=NO2 ZINC000085736935 562753372 /nfs/dbraw/zinc/75/33/72/562753372.db2.gz WGLJDQYUOYCSPY-JWNTYJGQSA-N 0 0 775.083 3.688 1 0 KHAFRN COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc([C@H](O)CNC(C)=O)cc1Br)=NO2 ZINC000085736940 562753385 /nfs/dbraw/zinc/75/33/85/562753385.db2.gz WGLJDQYUOYCSPY-FRGLQRNOSA-N 0 0 775.083 3.688 1 0 KHAFRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@H](OC(C)=O)[C@@]45O[C@@](OC)(C[C@H](OC(C)=O)[C@]14C)OC5(C)C)O3)COC2=O ZINC000085744737 574416775 /nfs/dbraw/zinc/41/67/75/574416775.db2.gz CSYWTGORJHMPOT-NKEOUCPOSA-N 0 0 574.623 3.525 1 0 endogenous,in-man KHAFRN COc1ccc(NC(=O)Nc2ccc(-c3nc(CS(C)(=O)=O)cc(N4CCOC[C@@H]4C)n3)cc2)cc1 ZINC000088244308 562753514 /nfs/dbraw/zinc/75/35/14/562753514.db2.gz NQBNUOGVLSHAST-KRWDZBQOSA-N 0 0 511.604 3.566 1 0 KHAFRN CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)c(=O)n(C)c3)c1CO)C2=O ZINC000088264248 562753550 /nfs/dbraw/zinc/75/35/50/562753550.db2.gz NKXNTWJLXPDDIK-UHFFFAOYSA-N 0 0 580.689 3.789 1 0 KHAFRN COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=NOCC3CCC(O)CC3)N2)n1 ZINC000088285595 562753522 /nfs/dbraw/zinc/75/35/22/562753522.db2.gz UXUYWZZFNJOVSN-CWZMJNCASA-N 0 0 506.582 3.693 1 0 KHAFRN Cc1nc2c(c(OC3CCN(C(=O)OC(C)(C)C)CC3)n1)CCN2c1ccc(S(C)(=O)=O)cc1F ZINC000088385448 562753586 /nfs/dbraw/zinc/75/35/86/562753586.db2.gz CRLRBSUPLCICHP-UHFFFAOYSA-N 0 0 506.600 3.800 1 0 KHAFRN Cc1nc2c(c(OC3CCN(c4nc(C(C)C)no4)CC3)n1)CCN2c1ccc(S(C)(=O)=O)cc1F ZINC000088385455 562753589 /nfs/dbraw/zinc/75/35/89/562753589.db2.gz XPEORQJWZSQTIR-UHFFFAOYSA-N 0 0 516.599 3.576 1 0 KHAFRN CO[C@H]1C[C@H](OC[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O ZINC000095098920 290706945 /nfs/dbraw/zinc/70/69/45/290706945.db2.gz KCHLRMMLBIREDO-NHGDCSSCSA-N 0 0 548.717 3.502 1 0 biogenic,in-vitro KHAFRN CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000095098934 290680831 /nfs/dbraw/zinc/68/08/31/290680831.db2.gz QZJJDOYZVRUEDY-QOGXNDBISA-N 0 0 560.728 3.723 1 0 biogenic,in-vitro KHAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2ccc(=O)n(C)c2)[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000095099271 562753714 /nfs/dbraw/zinc/75/37/14/562753714.db2.gz BCEBTLZBEYCGQV-YXUZDENTSA-N 0 0 745.778 3.564 1 0 biogenic,in-vitro KHAFRN CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](OC(=O)c4ccccc4O)C(C)=C3[C@@H](OC(=O)c3ccccc3O)[C@H](OC(C)=O)[C@@]21C ZINC000095099491 291802744 /nfs/dbraw/zinc/80/27/44/291802744.db2.gz IGGUEFIXYNEBRL-QSXVJOPHSA-N 0 0 808.830 3.862 1 0 biogenic,in-vitro KHAFRN 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CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c32)CC1 ZINC000095552428 562760617 /nfs/dbraw/zinc/76/06/17/562760617.db2.gz KLDMOOVVYDNXBQ-NRFANRHFSA-N 0 0 502.229 3.860 1 0 KHAFRN Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000095552733 562760774 /nfs/dbraw/zinc/76/07/74/562760774.db2.gz AQFOKRQZUHTMCC-HHHXNRCGSA-N 0 0 542.636 3.993 1 0 KHAFRN O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccccc1 ZINC000095552809 562760761 /nfs/dbraw/zinc/76/07/61/562760761.db2.gz NECQSUNUSOOPMU-UHFFFAOYSA-N 0 0 557.430 3.600 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553254 562760919 /nfs/dbraw/zinc/76/09/19/562760919.db2.gz OPVKJVDDNDEKSB-IBGZPJMESA-N 0 0 545.673 3.538 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@](O)(C3(O)C5CCCC3CCC5)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095553558 562760954 /nfs/dbraw/zinc/76/09/54/562760954.db2.gz ZVMANUKXHWGQHM-UFAAKKIBSA-N 0 0 552.620 3.895 1 0 KHAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H](C)C(=O)OC)S(=O)(=O)c1ccc2ncsc2c1 ZINC000095553583 562760974 /nfs/dbraw/zinc/76/09/74/562760974.db2.gz JXAMKISCKHUBPM-DCEDVJGZSA-N 0 0 591.752 3.985 1 0 KHAFRN CCc1nc2ccccc2n1-c1nc2sc(CN3CCC(C(C)(C)O)CC3)nc2c(N2CCOCC2)n1 ZINC000095553791 562761012 /nfs/dbraw/zinc/76/10/12/562761012.db2.gz OUURPGAFNJVIFM-UHFFFAOYSA-N 0 0 521.691 3.807 1 0 KHAFRN CC(C)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095553820 562761067 /nfs/dbraw/zinc/76/10/67/562761067.db2.gz HVKMWGBKUVLCGH-BIHRQFPBSA-N 0 0 505.700 3.955 1 0 KHAFRN NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1 ZINC000095553855 562761090 /nfs/dbraw/zinc/76/10/90/562761090.db2.gz QHNDUWNWJANTSZ-UHFFFAOYSA-N 0 0 575.624 3.800 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NC5CCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095554049 562761146 /nfs/dbraw/zinc/76/11/46/562761146.db2.gz DABIENOBUSCARE-GOSISDBHSA-N 0 0 545.673 3.585 1 0 KHAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCN1CCOC1=O)S(=O)(=O)c1ccc2ncsc2c1 ZINC000095554387 562761219 /nfs/dbraw/zinc/76/12/19/562761219.db2.gz UZNNHRLOFBKJOE-LOSJGSFVSA-N 0 0 604.751 3.628 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095554395 562761204 /nfs/dbraw/zinc/76/12/04/562761204.db2.gz OPVKJVDDNDEKSB-LJQANCHMSA-N 0 0 545.673 3.538 1 0 KHAFRN CC(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c2ncnc3N)CC1 ZINC000095554473 562761266 /nfs/dbraw/zinc/76/12/66/562761266.db2.gz AYIKIRZOQMVGNJ-UHFFFAOYSA-N 0 0 519.425 3.700 1 0 KHAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CC(=O)OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000095554713 562761375 /nfs/dbraw/zinc/76/13/75/562761375.db2.gz HYUDASFVSGXKBP-QGUKFAFCSA-N 0 0 564.701 3.526 1 0 KHAFRN CCC(=O)CCCCCN1CC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CC(C)C)CCC(=O)N(C)[C@@H](C)C1=O ZINC000095554797 562761413 /nfs/dbraw/zinc/76/14/13/562761413.db2.gz JGVLVQGXXBYFMJ-VWLOTQADSA-N 0 0 595.785 3.642 1 0 KHAFRN CC(C)C[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095554819 562761382 /nfs/dbraw/zinc/76/13/82/562761382.db2.gz RRTBHYJKYDWRDY-IIZANFQQSA-N 0 0 627.827 3.796 1 0 KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)CN(CCc2c[nH]c3ccccc23)C1=O ZINC000095554958 562761470 /nfs/dbraw/zinc/76/14/70/562761470.db2.gz VZNYVWFIOHOCLC-KULFAVDPSA-N 0 0 595.785 3.735 1 0 KHAFRN CCc1nc2ccccc2n1-c1nc2nc(CN3CCC(C(C)(C)O)CC3)sc2c(N2CCOCC2)n1 ZINC000095555102 562761443 /nfs/dbraw/zinc/76/14/43/562761443.db2.gz XVGNNJYNGSLHSX-UHFFFAOYSA-N 0 0 521.691 3.807 1 0 KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O ZINC000095555208 562761498 /nfs/dbraw/zinc/76/14/98/562761498.db2.gz VBSVPIWFMZPHNV-LQJZCPKCSA-N 0 0 680.891 3.633 1 0 KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(CC2CCCCC2)C1=O ZINC000095555522 562761568 /nfs/dbraw/zinc/76/15/68/562761568.db2.gz DMMSSGJOGJDYSF-OZXSUGGESA-N 0 0 548.769 3.545 1 0 KHAFRN CS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)[C@H](C(=O)[O-])C2)c1 ZINC000095555829 562761685 /nfs/dbraw/zinc/76/16/85/562761685.db2.gz NXHYSNCNFYHMIU-NFBKMPQASA-N 0 0 555.480 3.856 1 0 KHAFRN COc1ccc(-c2cc(CNC(=O)[C@H](CC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)on2)cc1 ZINC000095556136 562761733 /nfs/dbraw/zinc/76/17/33/562761733.db2.gz SOMBUIPMXWADCQ-QHCPKHFHSA-N 0 0 509.559 3.993 1 0 KHAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O ZINC000095556266 562761688 /nfs/dbraw/zinc/76/16/88/562761688.db2.gz DCHJMXBGNPORHN-OUTSHDOLSA-N 0 0 595.785 3.689 1 0 KHAFRN Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(N3CCOCC3)cc21 ZINC000095556348 562761709 /nfs/dbraw/zinc/76/17/09/562761709.db2.gz GHDPSZSZAZSGTG-UHFFFAOYSA-N 0 0 500.574 3.955 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@](O)(C3(O)C5CCCC3CCC5)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095556377 562761755 /nfs/dbraw/zinc/76/17/55/562761755.db2.gz ZVMANUKXHWGQHM-FYKPDSPWSA-N 0 0 552.620 3.895 1 0 KHAFRN Cc1ccc(-c2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000095556464 562761751 /nfs/dbraw/zinc/76/17/51/562761751.db2.gz BIHSQJMJRJBBHK-UHFFFAOYSA-N 0 0 571.457 3.909 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NC5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095556746 562761859 /nfs/dbraw/zinc/76/18/59/562761859.db2.gz MXHHONGZVDTFNW-LJQANCHMSA-N 0 0 559.700 3.975 1 0 KHAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCC(F)(F)C5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095556864 562761959 /nfs/dbraw/zinc/76/19/59/562761959.db2.gz KAQWYRBKYUAJGJ-GOSISDBHSA-N 0 0 581.653 3.784 1 0 KHAFRN COc1ccc([C@@]23Oc4cc(Cl)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1 ZINC000095557348 562762097 /nfs/dbraw/zinc/76/20/97/562762097.db2.gz QGAOOBALZRBQLX-GWNOIRNCSA-N 0 0 509.986 3.695 1 0 KHAFRN CCc1nc2ccccc2n1-c1nc2nc(N3CCC(C(C)(C)O)CC3)ccc2c(N2CCOCC2)n1 ZINC000095557413 562762193 /nfs/dbraw/zinc/76/21/93/562762193.db2.gz ZBDJGVDNGDGYSI-UHFFFAOYSA-N 0 0 501.635 3.750 1 0 KHAFRN COC(=O)c1c(Cc2ccc(C(=O)NCCO)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1 ZINC000095557832 562762234 /nfs/dbraw/zinc/76/22/34/562762234.db2.gz YMIHNRVATUXFGL-UHFFFAOYSA-N 0 0 525.483 3.504 1 0 KHAFRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000095558010 562762297 /nfs/dbraw/zinc/76/22/97/562762297.db2.gz LNAQPEWQEFYFFM-FFCOJMSVSA-N 0 0 752.909 3.720 1 0 KHAFRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000095558011 562762284 /nfs/dbraw/zinc/76/22/84/562762284.db2.gz LNAQPEWQEFYFFM-XMBNWINWSA-N 0 0 752.909 3.720 1 0 KHAFRN CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cnc2c1nc(N)nc2Cl)OCOC(=O)C(C)(C)C ZINC000095558273 562762412 /nfs/dbraw/zinc/76/24/12/562762412.db2.gz FIYHDQIETKXMJY-BQYQJAHWSA-N 0 0 531.934 3.938 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N[C@H]([C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000095558445 562762422 /nfs/dbraw/zinc/76/24/22/562762422.db2.gz VKVMSKUQTLLUGF-UWDMIKRTSA-N 0 0 733.877 3.850 1 0 KHAFRN Cc1cc(CN2CCN(c3c4[nH]c(-c5cccc(CN6CCOCC6)c5)nc4ncc3Cl)CC2)no1 ZINC000095558482 562762463 /nfs/dbraw/zinc/76/24/63/562762463.db2.gz XBYOPVXFZZWWMR-UHFFFAOYSA-N 0 0 508.026 3.729 1 0 KHAFRN NS(=O)(=O)c1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc32)c(Br)c1 ZINC000095558879 562762597 /nfs/dbraw/zinc/76/25/97/562762597.db2.gz ALEJCRJPXHZOJE-UHFFFAOYSA-N 0 0 530.429 3.833 1 0 KHAFRN COC(=O)c1c(Cc2ccc(S(=O)(=O)N3CCNCC3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000095558896 562762598 /nfs/dbraw/zinc/76/25/98/562762598.db2.gz STJJPAKEFZQZGB-UHFFFAOYSA-N 0 0 552.052 3.615 1 0 KHAFRN COc1ccc([C@@H]2SCCC(=O)N2NC(=O)c2cc(Br)c(Br)n2C)cc1 ZINC000095558987 562762612 /nfs/dbraw/zinc/76/26/12/562762612.db2.gz AVQIIXXYZJUTGJ-KRWDZBQOSA-N 0 0 503.216 3.868 1 0 KHAFRN COc1ccc([C@H]2SCCC(=O)N2NC(=O)c2cc(Br)c(Br)n2C)cc1 ZINC000095558988 562762614 /nfs/dbraw/zinc/76/26/14/562762614.db2.gz AVQIIXXYZJUTGJ-QGZVFWFLSA-N 0 0 503.216 3.868 1 0 KHAFRN Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(=O)NCc3ccccc3)cn2)c(C)cc1C(N)=O ZINC000095559432 562762721 /nfs/dbraw/zinc/76/27/21/562762721.db2.gz CHQGBLRVADDSPY-CWAQXLGLSA-N 0 0 511.626 3.657 1 0 in-vitro KHAFRN CS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(C(F)(F)F)cc4F)CC2)C3)CC1 ZINC000095559440 562762743 /nfs/dbraw/zinc/76/27/43/562762743.db2.gz VBOWIIBNJFCQGR-OAQYLSRUSA-N 0 0 526.556 3.903 1 0 KHAFRN C[C@@]1(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)Cc2cc(C3=CCN(S(C)(=O)=O)CC3)ncc2O1 ZINC000095559594 562762789 /nfs/dbraw/zinc/76/27/89/562762789.db2.gz ADGJUTULKDDKNB-QHCPKHFHSA-N 0 0 523.581 3.549 1 0 KHAFRN C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095560234 562762993 /nfs/dbraw/zinc/76/29/93/562762993.db2.gz IRZSVJCLKRWGDA-QFIPXVFZSA-N 0 0 547.578 3.517 1 0 KHAFRN 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SBYPHCXTWMCGOV-SFHVURJKSA-N 0 0 514.376 3.935 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@@H](NC(=O)CO)C[C@@H](c3cccc(F)c3)[C@]1(c1ccc(Br)cc1)O2 ZINC000095578154 562771138 /nfs/dbraw/zinc/77/11/38/562771138.db2.gz UDDXHHQMWVNPQM-MNUJBRLQSA-N 0 0 558.400 3.746 1 0 KHAFRN CC(C)c1ccc(-c2nccnc2N2CCN(S(=O)(=O)c3cccc(-c4cnc(N)nc4)c3)CC2)cc1 ZINC000095578283 562771205 /nfs/dbraw/zinc/77/12/05/562771205.db2.gz IVXKQJAJTVBVLV-UHFFFAOYSA-N 0 0 515.643 3.817 1 0 in-vitro KHAFRN CCS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095578481 562771264 /nfs/dbraw/zinc/77/12/64/562771264.db2.gz IDSIFGQKRCZJMK-BPXKWBHBSA-N 0 0 521.003 3.910 1 0 KHAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(F)c(F)c4)c3)c3c2ncnc3N)C1 ZINC000095578489 562771233 /nfs/dbraw/zinc/77/12/33/562771233.db2.gz UTKCVGADNHOGJJ-GOSISDBHSA-N 0 0 503.513 3.956 1 0 KHAFRN COC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095578496 562771276 /nfs/dbraw/zinc/77/12/76/562771276.db2.gz PVSORTJSXQOMLT-AWEZNQCLSA-N 0 0 532.560 3.646 1 0 KHAFRN COC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095578497 562771240 /nfs/dbraw/zinc/77/12/40/562771240.db2.gz PVSORTJSXQOMLT-CQSZACIVSA-N 0 0 532.560 3.646 1 0 KHAFRN CC(C)(N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095578757 562771378 /nfs/dbraw/zinc/77/13/78/562771378.db2.gz XGISVMOZDCDXSV-GSXQCRFRSA-N 0 0 627.562 3.793 1 0 KHAFRN CC(C)(N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095578758 562771363 /nfs/dbraw/zinc/77/13/63/562771363.db2.gz XGISVMOZDCDXSV-ZAODAWGMSA-N 0 0 627.562 3.793 1 0 KHAFRN CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000095578769 562771330 /nfs/dbraw/zinc/77/13/30/562771330.db2.gz BIEGCDVEABCOTQ-UHFFFAOYSA-N 0 0 564.579 3.586 1 0 KHAFRN COC(=O)c1cccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000095579114 562771418 /nfs/dbraw/zinc/77/14/18/562771418.db2.gz MIWCXWOZKGQAJU-UHFFFAOYSA-N 0 0 510.534 3.950 1 0 KHAFRN CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000095579267 562771482 /nfs/dbraw/zinc/77/14/82/562771482.db2.gz XLSXHTFAIADSPN-UHFFFAOYSA-N 0 0 564.579 3.586 1 0 KHAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095579638 562771605 /nfs/dbraw/zinc/77/16/05/562771605.db2.gz GTZMAKRJIKZWAH-ZDUSSCGKSA-N 0 0 520.524 3.969 1 0 KHAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095579639 562771595 /nfs/dbraw/zinc/77/15/95/562771595.db2.gz GTZMAKRJIKZWAH-CYBMUJFWSA-N 0 0 520.524 3.969 1 0 KHAFRN CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000095579888 562771717 /nfs/dbraw/zinc/77/17/17/562771717.db2.gz YVSHQGAIDXNKCO-UHFFFAOYSA-N 0 0 548.580 3.706 1 0 KHAFRN COC(=O)c1c(Cc2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2)c(=O)c2cccnc2n1-c1ccccc1 ZINC000095579952 562771700 /nfs/dbraw/zinc/77/17/00/562771700.db2.gz BFEHXUOUWNWPEO-XMMPIXPASA-N 0 0 513.594 3.900 1 0 KHAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(F)cc4F)c3)c3c2ncnc3N)C1 ZINC000095580272 562771778 /nfs/dbraw/zinc/77/17/78/562771778.db2.gz HPGPMRSQYNBPDN-GOSISDBHSA-N 0 0 503.513 3.956 1 0 KHAFRN COCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095580380 562771824 /nfs/dbraw/zinc/77/18/24/562771824.db2.gz RLNIRWXHOYZUHJ-HNNXBMFYSA-N 0 0 546.587 3.894 1 0 KHAFRN COCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095580381 562771845 /nfs/dbraw/zinc/77/18/45/562771845.db2.gz RLNIRWXHOYZUHJ-OAHLLOKOSA-N 0 0 546.587 3.894 1 0 KHAFRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1 ZINC000095580511 562771854 /nfs/dbraw/zinc/77/18/54/562771854.db2.gz IGCNMKACLQKUCK-UHFFFAOYSA-N 0 0 503.964 3.574 1 0 KHAFRN CS(=O)(=O)CC[C@H]1OCC[C@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]12 ZINC000095580652 562771862 /nfs/dbraw/zinc/77/18/62/562771862.db2.gz AMXSRXZYBDALJG-FQELHTAISA-N 0 0 506.976 3.520 1 0 KHAFRN C[C@@H]1CN(c2ccc(C(N)=O)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)s1 ZINC000095580691 562771973 /nfs/dbraw/zinc/77/19/73/562771973.db2.gz CGZVGIXYFOOWKJ-ZMZPIMSZSA-N 0 0 545.527 3.535 1 0 KHAFRN COc1ccc(Nc2nc(N3CCC[C@H](C(=O)NCCc4ccncc4)C3)nc3scnc32)cc1OC ZINC000095580954 562772056 /nfs/dbraw/zinc/77/20/56/562772056.db2.gz RIOKDCGTLFOODO-SFHVURJKSA-N 0 0 519.631 3.817 1 0 KHAFRN COc1ccc(Nc2nc(N3CCC[C@@H](C(=O)NCCc4ccncc4)C3)nc3scnc32)cc1OC ZINC000095580955 562772070 /nfs/dbraw/zinc/77/20/70/562772070.db2.gz RIOKDCGTLFOODO-GOSISDBHSA-N 0 0 519.631 3.817 1 0 KHAFRN COc1ccc(C(=O)Nc2cc3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](O)[C@H]4O)c(C)c3oc2=O)cc1-c1cccc(O)c1 ZINC000095581544 562772230 /nfs/dbraw/zinc/77/22/30/562772230.db2.gz XAKCYRJDJRZCCS-MPVRDSJCSA-N 0 0 591.613 3.985 1 0 KHAFRN CCOC(=O)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)sc2c1 ZINC000095581578 562772209 /nfs/dbraw/zinc/77/22/09/562772209.db2.gz DBCJOIZFAJJEFO-UHFFFAOYSA-N 0 0 527.562 3.541 1 0 KHAFRN C[C@@H]1CN(c2ccc(C(N)=O)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)s1 ZINC000095581776 562772343 /nfs/dbraw/zinc/77/23/43/562772343.db2.gz CGZVGIXYFOOWKJ-ADLMAVQZSA-N 0 0 545.527 3.535 1 0 KHAFRN O=C(CN1CCc2cccc3c2[C@@H]1CNC3=O)N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000095581924 562772384 /nfs/dbraw/zinc/77/23/84/562772384.db2.gz ITFKXJTWHCODGA-VMPREFPWSA-N 0 0 552.650 3.512 1 0 KHAFRN O=C(CN1CCc2cccc3c2[C@H]1CNC3=O)N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000095581925 562772367 /nfs/dbraw/zinc/77/23/67/562772367.db2.gz ITFKXJTWHCODGA-URLMMPGGSA-N 0 0 552.650 3.512 1 0 KHAFRN CNC(=O)c1ccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000095582180 562772489 /nfs/dbraw/zinc/77/24/89/562772489.db2.gz QNZLMDVEEQRIAP-UHFFFAOYSA-N 0 0 572.750 3.992 1 0 KHAFRN C[NH2+][C@H](C)C(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3OC)c1 ZINC000095582265 562772481 /nfs/dbraw/zinc/77/24/81/562772481.db2.gz GDRATRAGKPCRIV-OAHLLOKOSA-N 0 0 548.090 3.833 1 0 KHAFRN O=C(CO)NCCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095583487 562772925 /nfs/dbraw/zinc/77/29/25/562772925.db2.gz QLHTZMDJQLWNNL-UHFFFAOYSA-N 0 0 505.387 3.555 1 0 KHAFRN COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](CCCC[NH3+])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095583563 562772947 /nfs/dbraw/zinc/77/29/47/562772947.db2.gz KLVWDQGNOPEHMX-NSOVKSMOSA-N 0 0 637.626 3.933 1 0 KHAFRN COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)sc2c1 ZINC000095583912 562773055 /nfs/dbraw/zinc/77/30/55/562773055.db2.gz FPFARPJFAUDONF-UHFFFAOYSA-N 0 0 503.515 3.512 1 0 KHAFRN O=C(CN1CCc2cccc3c2[C@@H]1CNC3=O)N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000095584192 562773168 /nfs/dbraw/zinc/77/31/68/562773168.db2.gz ITFKXJTWHCODGA-WDYNHAJCSA-N 0 0 552.650 3.512 1 0 KHAFRN O=C(CN1CCc2cccc3c2[C@H]1CNC3=O)N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000095584193 562773144 /nfs/dbraw/zinc/77/31/44/562773144.db2.gz ITFKXJTWHCODGA-FQLXRVMXSA-N 0 0 552.650 3.512 1 0 KHAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O)C(C)(C)C ZINC000095584802 562773402 /nfs/dbraw/zinc/77/34/02/562773402.db2.gz WUZKFDQHEGYCAX-QLGUYUIPSA-N 0 0 631.770 3.705 1 0 KHAFRN COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)N(C)C)c1Cl ZINC000095584919 562773425 /nfs/dbraw/zinc/77/34/25/562773425.db2.gz AFQAOUGZKYKDEW-UHFFFAOYSA-N 0 0 522.355 3.576 1 0 KHAFRN COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)[NH3+])c1 ZINC000095585536 562773609 /nfs/dbraw/zinc/77/36/09/562773609.db2.gz SIBHOWSWIFTOMQ-UHFFFAOYSA-N 0 0 548.090 3.962 1 0 KHAFRN COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000095586811 562774096 /nfs/dbraw/zinc/77/40/96/562774096.db2.gz LUDUHKJIKKLONS-LKLXFRLPSA-N 0 0 528.598 3.697 1 0 KHAFRN Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC[C@H](O)CO)cc2)c(=O)n1C ZINC000095586861 562774123 /nfs/dbraw/zinc/77/41/23/562774123.db2.gz WWWZWMKYJCVNHB-UTKZUKDTSA-N 0 0 601.405 3.924 1 0 KHAFRN Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC[C@@H](O)CO)cc2)c(=O)n1C ZINC000095586862 562774090 /nfs/dbraw/zinc/77/40/90/562774090.db2.gz WWWZWMKYJCVNHB-UWJYYQICSA-N 0 0 601.405 3.924 1 0 KHAFRN O=C1O[C@@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000095587035 562774181 /nfs/dbraw/zinc/77/41/81/562774181.db2.gz OXKHNXQOTCAVFX-QFIPXVFZSA-N 0 0 527.574 3.758 1 0 KHAFRN CS(=O)(=O)n1c(CN2c3ccccc3[C@@]3(NC(=O)c4ccccc4N3)C2=O)cc2cc(Br)ccc21 ZINC000095587163 562774206 /nfs/dbraw/zinc/77/42/06/562774206.db2.gz DLYIQPKOKHTVRK-RUZDIDTESA-N 0 0 551.422 3.767 1 0 KHAFRN CS(=O)(=O)n1c(CN2c3ccccc3[C@]3(NC(=O)c4ccccc4N3)C2=O)cc2cc(Br)ccc21 ZINC000095587164 562774230 /nfs/dbraw/zinc/77/42/30/562774230.db2.gz DLYIQPKOKHTVRK-VWLOTQADSA-N 0 0 551.422 3.767 1 0 KHAFRN COc1ccc(C2=NN(CCOc3ccc(C4=NNC(=O)C[C@H]4C)cc3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095587588 562774350 /nfs/dbraw/zinc/77/43/50/562774350.db2.gz JOMJYOAVGUYJOB-CVEARBPZSA-N 0 0 556.545 3.873 1 0 KHAFRN COc1ccc(C2=NN(CCOc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095587589 562774355 /nfs/dbraw/zinc/77/43/55/562774355.db2.gz JOMJYOAVGUYJOB-HOTGVXAUSA-N 0 0 556.545 3.873 1 0 KHAFRN COc1ccc(C2=NN(CCOc3ccc(C4=NNC(=O)C[C@H]4C)cc3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095587590 562774330 /nfs/dbraw/zinc/77/43/30/562774330.db2.gz JOMJYOAVGUYJOB-HZPDHXFCSA-N 0 0 556.545 3.873 1 0 KHAFRN COc1ccc(C2=NN(CCOc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095587591 562774334 /nfs/dbraw/zinc/77/43/34/562774334.db2.gz JOMJYOAVGUYJOB-JKSUJKDBSA-N 0 0 556.545 3.873 1 0 KHAFRN C/C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@@H](OC(=O)c3cccnc3)[C@]3(OC2(C)C)[C@@](C)(O)CC[C@H](OC(=O)c2ccoc2)[C@@]13COC(C)=O ZINC000095587644 562774363 /nfs/dbraw/zinc/77/43/63/562774363.db2.gz LFXDNVNKLUPWOC-BRZNNSIUSA-N 0 0 683.707 3.507 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000095588043 562774477 /nfs/dbraw/zinc/77/44/77/562774477.db2.gz DGRRZIVVQMXLIJ-MGTGDHFRSA-N 0 0 763.980 3.825 1 0 KHAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000095588358 562774682 /nfs/dbraw/zinc/77/46/82/562774682.db2.gz CFOZRFFUFHOCOI-KZIJVEGPSA-N 0 0 535.641 3.641 1 0 KHAFRN CCc1cc2c(C3=NN(CCCOc4ccc(C5=NNC(=O)C[C@@H]5C)cc4)C(=O)C[C@@H]3C)ccc(OC)n2n1 ZINC000095588368 562774683 /nfs/dbraw/zinc/77/46/83/562774683.db2.gz CRBDZNGNKHWMCU-OALUTQOASA-N 0 0 530.629 3.807 1 0 KHAFRN CCc1cc2c(C3=NN(CCCOc4ccc(C5=NNC(=O)C[C@@H]5C)cc4)C(=O)C[C@H]3C)ccc(OC)n2n1 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O=C(NCCc1cc2ccccc2[nH]1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21 ZINC000095593557 562776266 /nfs/dbraw/zinc/77/62/66/562776266.db2.gz RPBYVSQIBRZQCK-UHFFFAOYSA-N 0 0 565.605 3.928 1 0 KHAFRN COc1ccc(OCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2ncc(-c3ccc(OC)cc3)s2)C(C)C)cc1 ZINC000095593687 562776308 /nfs/dbraw/zinc/77/63/08/562776308.db2.gz HKZIMJRYIXJWEU-LTYDCPJSSA-N 0 0 721.877 3.772 1 0 KHAFRN O=C(Nc1ccc(OS(=O)(=O)CCC(F)(F)F)nc1C(=O)NCC1CCOCC1)c1ccc(Cn2ccnn2)c2ccccc12 ZINC000095593689 562776342 /nfs/dbraw/zinc/77/63/42/562776342.db2.gz XQLXNZCIFOPSBV-UHFFFAOYSA-N 0 0 646.648 3.944 1 0 KHAFRN COC[C@@H]1Oc2ccc([C@H]3Oc4cc(OC)cc(OC)c4C(=O)[C@@H]3O)cc2O[C@H]1c1ccc(OC)c(OC)c1 ZINC000095593871 562776378 /nfs/dbraw/zinc/77/63/78/562776378.db2.gz LBOJKFQTJUQFEL-HSNHEXMOSA-N 0 0 538.549 3.926 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H]([NH2+]Cc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] 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3.985 1 0 KHAFRN Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 ZINC000095595829 562776851 /nfs/dbraw/zinc/77/68/51/562776851.db2.gz OZYVKCFYXTTYJW-UHFFFAOYSA-N 0 0 516.595 3.993 1 0 KHAFRN CS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095596040 562776862 /nfs/dbraw/zinc/77/68/62/562776862.db2.gz DGRSGSKYRNNKNH-XERREHJYSA-N 0 0 540.528 3.885 1 0 KHAFRN CN(C)C(=O)CCCCCCCNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21 ZINC000095596131 562776875 /nfs/dbraw/zinc/77/68/75/562776875.db2.gz PFEDVKLTBJSNCO-UHFFFAOYSA-N 0 0 591.684 3.633 1 0 KHAFRN COc1ccc(OCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2ncc(-c3ccccc3OC)s2)C(C)C)cc1 ZINC000095596331 562776937 /nfs/dbraw/zinc/77/69/37/562776937.db2.gz BWUPIUXLXYQDPH-IHAGIBJBSA-N 0 0 721.877 3.772 1 0 KHAFRN CS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Br)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095596346 562776966 /nfs/dbraw/zinc/77/69/66/562776966.db2.gz 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/nfs/dbraw/zinc/78/16/67/562781667.db2.gz FOVWUODOESCPAD-GGJMMHKRSA-N 0 0 636.192 3.990 1 0 KHAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095605758 562781726 /nfs/dbraw/zinc/78/17/26/562781726.db2.gz RBEOYKSQUHDXTK-XMERXJNXSA-N 0 0 562.685 3.582 1 0 KHAFRN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1 ZINC000095605772 562781725 /nfs/dbraw/zinc/78/17/25/562781725.db2.gz WDSFZFTXQVUSIQ-FONBTEPMSA-N 0 0 626.732 3.889 1 0 KHAFRN COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)O ZINC000095605821 562781723 /nfs/dbraw/zinc/78/17/23/562781723.db2.gz NBSCIGNRBOGWDK-UUDHDKAESA-N 0 0 657.661 3.956 1 0 KHAFRN COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)O ZINC000095605822 562781720 /nfs/dbraw/zinc/78/17/20/562781720.db2.gz NBSCIGNRBOGWDK-DDLDXOTESA-N 0 0 657.661 3.956 1 0 KHAFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)c[nH]1)C(C)C ZINC000095605907 562781772 /nfs/dbraw/zinc/78/17/72/562781772.db2.gz ZGIPUEIZLBKSBK-GOTSBHOMSA-N 0 0 510.616 3.954 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@H](C)c4cccc5ccccc54)CC3)ccc2s1 ZINC000095605949 562781751 /nfs/dbraw/zinc/78/17/51/562781751.db2.gz VVBWFPHSMNKWQI-NFBKMPQASA-N 0 0 518.683 3.993 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ccc2s1 ZINC000095605951 562781786 /nfs/dbraw/zinc/78/17/86/562781786.db2.gz YXYKTPNBPFSRSY-QGZVFWFLSA-N 0 0 509.459 3.908 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)ccc2s1 ZINC000095605955 562781789 /nfs/dbraw/zinc/78/17/89/562781789.db2.gz BRRXOZCVEUETJG-LJQANCHMSA-N 0 0 508.566 3.620 1 0 KHAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@@H](C)c4ccc5ccccc5c4)CC3)ccc2s1 ZINC000095605956 562781765 /nfs/dbraw/zinc/78/17/65/562781765.db2.gz ZFBBPHDPDPYJOR-NBGIEHNGSA-N 0 0 518.683 3.993 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605968 562781838 /nfs/dbraw/zinc/78/18/38/562781838.db2.gz YJEITIRWMUEULI-CUMGAWTLSA-N 0 0 796.917 3.551 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605969 562781802 /nfs/dbraw/zinc/78/18/02/562781802.db2.gz YJEITIRWMUEULI-PKAIDYEGSA-N 0 0 796.917 3.551 1 0 KHAFRN COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000095606047 562781860 /nfs/dbraw/zinc/78/18/60/562781860.db2.gz BOULRXFSMMLNQU-LCFGQPCYSA-N 0 0 801.982 3.598 1 0 KHAFRN COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000095606048 562781847 /nfs/dbraw/zinc/78/18/47/562781847.db2.gz BOULRXFSMMLNQU-UZXKRCCTSA-N 0 0 801.982 3.598 1 0 KHAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000095606207 562781990 /nfs/dbraw/zinc/78/19/90/562781990.db2.gz AJSUGOHRKILWCK-ZZTWKDBPSA-N 0 0 761.965 3.702 1 0 KHAFRN CC(=O)c1ccc(/C=C/CO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@@H](O)[C@@H](OC/C=C/c2ccc(C(C)=O)cc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000095606433 562782078 /nfs/dbraw/zinc/78/20/78/562782078.db2.gz WZXYHEYYJRGWNR-VVKCFMERSA-N 0 0 788.894 3.860 1 0 KHAFRN CC(C)(C)NC(=O)c1c(OC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)ccc2ccccc21 ZINC000095606434 562782083 /nfs/dbraw/zinc/78/20/83/562782083.db2.gz JWFTWVQDJNNTRU-XFCANUNOSA-N 0 0 790.895 3.887 1 0 KHAFRN Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)C(C)C)C2=O)cs1 ZINC000095606747 562782390 /nfs/dbraw/zinc/78/23/90/562782390.db2.gz JFDGOOVRTCFBJB-QAXCHELISA-N 0 0 748.994 3.521 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ncccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1 ZINC000095607237 562782686 /nfs/dbraw/zinc/78/26/86/562782686.db2.gz NSORIBLJGXKBTF-RRNXAADDSA-N 0 0 803.043 3.778 1 0 KHAFRN CON(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000095607301 562782728 /nfs/dbraw/zinc/78/27/28/562782728.db2.gz NJOMAUHUMKJZLS-QKDODKLFSA-N 0 0 568.715 3.606 1 0 KHAFRN O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO[P@]3(=O)OCc4cccc(-c5ccccc5)c4O3)O2)C[C@H]1/C=C/Br ZINC000095607317 562782717 /nfs/dbraw/zinc/78/27/17/562782717.db2.gz QNJYJMLWACCWSM-DTIKLPRVSA-N 0 0 579.340 3.940 1 0 KHAFRN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=O)O[C@@]21C ZINC000095607330 562782746 /nfs/dbraw/zinc/78/27/46/562782746.db2.gz NVGYKJCWLWOFPF-UNNUABODSA-N 0 0 810.942 3.749 1 0 KHAFRN CC(=O)OC[C@H]1O[C@H](OCCO[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095607350 562782764 /nfs/dbraw/zinc/78/27/64/562782764.db2.gz ICBRXEYJEPFIHY-JINDWXNISA-N 0 0 706.826 3.610 1 0 KHAFRN CC(=O)N[C@H](CS(=O)(=O)c1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C ZINC000095607425 562782814 /nfs/dbraw/zinc/78/28/14/562782814.db2.gz NYWNZCXQNAGWLE-XTMUJBCUSA-N 0 0 744.936 3.512 1 0 KHAFRN CC(=O)N[C@@H](CS(=O)(=O)c1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C ZINC000095607426 562782820 /nfs/dbraw/zinc/78/28/20/562782820.db2.gz NYWNZCXQNAGWLE-NFDQIHTRSA-N 0 0 744.936 3.512 1 0 KHAFRN CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095607435 562782819 /nfs/dbraw/zinc/78/28/19/562782819.db2.gz ZJZVPGODNLHLEQ-HCPMNOJRSA-N 0 0 779.983 3.563 1 0 KHAFRN COc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3cnc(C)s3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095607839 562783151 /nfs/dbraw/zinc/78/31/51/562783151.db2.gz RGAGZMJAXHYJCL-XREYCITQSA-N 0 0 752.979 3.909 1 0 KHAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)C4CCCCC4)[C@@H]21)C3(C)C ZINC000095607975 562783262 /nfs/dbraw/zinc/78/32/62/562783262.db2.gz RTRCHEBOUOKTHR-YCSOEXLTSA-N 0 0 813.938 3.526 1 0 KHAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)C4CCCCC4)[C@H]21)C3(C)C ZINC000095607976 562783274 /nfs/dbraw/zinc/78/32/74/562783274.db2.gz RTRCHEBOUOKTHR-SAVFJILCSA-N 0 0 813.938 3.526 1 0 KHAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)C4CCCCC4)[C@@H]21)C3(C)C ZINC000095607977 562783269 /nfs/dbraw/zinc/78/32/69/562783269.db2.gz RTRCHEBOUOKTHR-JDVNGFAUSA-N 0 0 813.938 3.526 1 0 KHAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)C4CCCCC4)[C@H]21)C3(C)C ZINC000095607978 562783276 /nfs/dbraw/zinc/78/32/76/562783276.db2.gz RTRCHEBOUOKTHR-VCVYQWHSSA-N 0 0 813.938 3.526 1 0 KHAFRN Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000095608040 562783282 /nfs/dbraw/zinc/78/32/82/562783282.db2.gz WCPSDLOTJZKOSW-IZBQCXFTSA-N 0 0 765.883 3.869 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C ZINC000095608075 562783321 /nfs/dbraw/zinc/78/33/21/562783321.db2.gz HKIRXDARVDUJOP-RHIIWVEJSA-N 0 0 768.912 3.855 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095608120 562783390 /nfs/dbraw/zinc/78/33/90/562783390.db2.gz QTKZEBANNJWQOX-WZFFGLSISA-N 0 0 747.734 3.615 1 0 KHAFRN CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCCC[NH3+])CC(=O)N[C@H](CC(=O)NCCC(=O)[O-])[C@@H](C)CC)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095608155 562783401 /nfs/dbraw/zinc/78/34/01/562783401.db2.gz INDVKJCZWQCFCP-QSUAGMIRSA-N 0 0 765.747 3.649 1 0 KHAFRN CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCCC[NH3+])CC(=O)N[C@H](CC(=O)NCCC(=O)[O-])[C@@H](C)CC)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095608156 562783388 /nfs/dbraw/zinc/78/33/88/562783388.db2.gz INDVKJCZWQCFCP-GXZNAISWSA-N 0 0 765.747 3.649 1 0 KHAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2ccn(-c3cccc(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095608161 562783415 /nfs/dbraw/zinc/78/34/15/562783415.db2.gz SWPBTKCAQDJKSO-KRXYOAFOSA-N 0 0 755.238 3.911 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[NH+](CCc1ccccc1)CCc1ccccc1)C(=O)[O-] ZINC000095608182 562783411 /nfs/dbraw/zinc/78/34/11/562783411.db2.gz IKPSCKXJUUTDIY-IGMOWHQGSA-N 0 0 763.936 3.666 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1 ZINC000095608590 562783587 /nfs/dbraw/zinc/78/35/87/562783587.db2.gz FFXNCKJLOJZZAT-RRNXAADDSA-N 0 0 803.043 3.778 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2cnccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1 ZINC000095608721 562783658 /nfs/dbraw/zinc/78/36/58/562783658.db2.gz FXJVVUMDPYPBBU-RRNXAADDSA-N 0 0 803.043 3.778 1 0 KHAFRN CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)SC(C)C)c3ccco3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C ZINC000095608809 562783744 /nfs/dbraw/zinc/78/37/44/562783744.db2.gz SRIBKKFYGGFJMH-ZIFPLIRBSA-N 0 0 841.929 3.750 1 0 KHAFRN 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COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)c(O)c2)C(C)(C)C)cc1 ZINC000095609644 562783910 /nfs/dbraw/zinc/78/39/10/562783910.db2.gz WJXLHSWNRHARBG-LFYPYRRVSA-N 0 0 764.920 3.975 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)c(O)c2)C(C)(C)C)cc1 ZINC000095609645 562783892 /nfs/dbraw/zinc/78/38/92/562783892.db2.gz WJXLHSWNRHARBG-JWELTSOOSA-N 0 0 764.920 3.975 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)cc2O)C(C)(C)C)cc1 ZINC000095609669 562783915 /nfs/dbraw/zinc/78/39/15/562783915.db2.gz GYVAHDXFXFUDGG-WKIWTUQMSA-N 0 0 764.920 3.975 1 0 KHAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)cc2O)C(C)(C)C)cc1 ZINC000095609670 562783907 /nfs/dbraw/zinc/78/39/07/562783907.db2.gz GYVAHDXFXFUDGG-FRPVWIBKSA-N 0 0 764.920 3.975 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](CCCCNC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)cc3)nc2c(=O)n(CCC)c1=O ZINC000095609819 562783999 /nfs/dbraw/zinc/78/39/99/562783999.db2.gz STKWCQQXXBFPHE-SSEXGKCCSA-N 0 0 790.919 3.975 1 0 KHAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H](CCCCNC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)cc3)nc2c(=O)n(CCC)c1=O ZINC000095609820 562784030 /nfs/dbraw/zinc/78/40/30/562784030.db2.gz STKWCQQXXBFPHE-PMERELPUSA-N 0 0 790.919 3.975 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095609925 562784091 /nfs/dbraw/zinc/78/40/91/562784091.db2.gz VFXBGUYEVNSPLY-LETNQRCJSA-N 0 0 785.987 3.827 1 0 KHAFRN CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095609932 562784083 /nfs/dbraw/zinc/78/40/83/562784083.db2.gz ZJZVPGODNLHLEQ-FQABGADESA-N 0 0 779.983 3.563 1 0 KHAFRN 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FZKDZYMJFJHGJQ-QOVRCLNESA-N 0 0 829.937 3.504 1 0 KHAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000095610533 562784473 /nfs/dbraw/zinc/78/44/73/562784473.db2.gz WINGXRBFXOEXEQ-BUCKXXSGSA-N 0 0 795.934 3.532 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000095610625 562784535 /nfs/dbraw/zinc/78/45/35/562784535.db2.gz WSLWIPIDIKGXCF-PLXHNDKISA-N 0 0 773.935 3.951 1 0 KHAFRN CC(C)[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1cccnc1)C(C)C ZINC000095610720 562784584 /nfs/dbraw/zinc/78/45/84/562784584.db2.gz ACUNRNHXDMKZIB-XAYNKGEHSA-N 0 0 768.912 3.855 1 0 KHAFRN CC(C)[C@@H](NC(=O)N(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1cccnc1)C(C)C ZINC000095610766 562784593 /nfs/dbraw/zinc/78/45/93/562784593.db2.gz BAFXFUOJGBYTOY-AKUVXLQWSA-N 0 0 794.998 3.686 1 0 KHAFRN CC(C)[C@@H](NC(=O)N(C)Cc1nccs1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1nccs1)C(C)C ZINC000095610767 562784572 /nfs/dbraw/zinc/78/45/72/562784572.db2.gz ZKAHZOFVRUTLSI-UXZVPEPWSA-N 0 0 807.056 3.809 1 0 KHAFRN CC(C)[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccncc1)C(C)C ZINC000095610770 562784602 /nfs/dbraw/zinc/78/46/02/562784602.db2.gz TZYOFBHYLHBTFK-XAYNKGEHSA-N 0 0 768.912 3.855 1 0 KHAFRN CC(C)[C@@H](NC(=O)N(C)Cc1nccs1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1nccs1)C(C)C ZINC000095610771 562784601 /nfs/dbraw/zinc/78/46/01/562784601.db2.gz ZKAHZOFVRUTLSI-VQMPCVPOSA-N 0 0 807.056 3.809 1 0 KHAFRN CC(C)[C@@H](NC(=O)N(C)Cc1cscn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1cscn1)C(C)C ZINC000095610791 562784595 /nfs/dbraw/zinc/78/45/95/562784595.db2.gz 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/nfs/dbraw/zinc/18/91/50/565189150.db2.gz GNZVDICBVAWEHO-JLIRIMKGSA-N 0 0 628.678 3.611 1 0 biogenic,in-vitro KHAFRN COc1ccc(C(=O)O[C@@H]2[C@]34CC[C@@H](C[C@@H]3[C@@]35CCC[C@@]6(C)C(=O)N(C)[C@@H]3[C@@H]4C[C@@H]56)[C@@]2(O)COC(C)=O)cc1OC ZINC000095919344 291816484 /nfs/dbraw/zinc/81/64/84/291816484.db2.gz JHLIWGRBPZFFBH-MHABHXKOSA-N 0 0 567.679 3.607 1 0 biogenic,in-vitro KHAFRN CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H]6O[C@H](CO)OC[C@@]6(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1 ZINC000096085689 562790369 /nfs/dbraw/zinc/79/03/69/562790369.db2.gz XNXBBAVPDDPLJE-IUFVKNBISA-N 0 0 674.872 3.765 1 0 in-vitro KHAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CCN(Cc2ccc(-c3cccnc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000096142897 562790407 /nfs/dbraw/zinc/79/04/07/562790407.db2.gz MAMJAUDDHCPYJQ-WZXFIOQESA-N 0 0 721.777 3.727 1 0 KHAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CCN(Cc2ccc(-c3ccccn3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000096142898 562790435 /nfs/dbraw/zinc/79/04/35/562790435.db2.gz VJEYRJGOROCIKW-NKDCNHMZSA-N 0 0 721.777 3.727 1 0 KHAFRN CC(C)(c1ncc(-c2ccccn2)o1)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142902 562790441 /nfs/dbraw/zinc/79/04/41/562790441.db2.gz RTAOSKPTWQTCBX-GIWSTSDLSA-N 0 0 750.819 3.857 1 0 KHAFRN CC(C)(c1ncc(-c2cccnc2)o1)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142903 562790410 /nfs/dbraw/zinc/79/04/10/562790410.db2.gz TWZWSIXDZUIEIJ-BEILRLPOSA-N 0 0 750.819 3.857 1 0 KHAFRN COc1cncc(-c2cnc(C(C)(C)N3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000096142905 562790417 /nfs/dbraw/zinc/79/04/17/562790417.db2.gz CWAPFPHVCGEYRK-YKTJUOTHSA-N 0 0 780.845 3.866 1 0 KHAFRN O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C[C@H]2O ZINC000096167524 562790476 /nfs/dbraw/zinc/79/04/76/562790476.db2.gz GWDCJYAPKYWVQE-UYAOXDASSA-N 0 0 554.465 3.662 1 0 KHAFRN O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C[C@H]2O ZINC000096167525 562790479 /nfs/dbraw/zinc/79/04/79/562790479.db2.gz GWDCJYAPKYWVQE-QUCCMNQESA-N 0 0 554.465 3.662 1 0 KHAFRN O=C1N(c2ccc(CC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1ccccc1Cl)C[C@H]2O ZINC000096167530 562790492 /nfs/dbraw/zinc/79/04/92/562790492.db2.gz ODTUIVRBQVCXGM-TZIWHRDSSA-N 0 0 502.942 3.623 1 0 KHAFRN O=C1N(c2ccc(CC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1ccccc1Cl)C[C@H]2O ZINC000096167531 562790531 /nfs/dbraw/zinc/79/05/31/562790531.db2.gz ODTUIVRBQVCXGM-CTNGQTDRSA-N 0 0 502.942 3.623 1 0 KHAFRN C[C@H](Oc1ccc(N2CC[C@]3(CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3O)C2=O)cc1)C(F)(F)F ZINC000096167536 562790505 /nfs/dbraw/zinc/79/05/05/562790505.db2.gz ZVJNBRHLPLFITE-LVWPNOBMSA-N 0 0 532.968 3.848 1 0 KHAFRN C[C@H](Oc1ccc(N2CC[C@@]3(CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3O)C2=O)cc1)C(F)(F)F ZINC000096167538 562790501 /nfs/dbraw/zinc/79/05/01/562790501.db2.gz ZVJNBRHLPLFITE-GJULWVSJSA-N 0 0 532.968 3.848 1 0 KHAFRN O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1ccccc1Cl)CC2=O ZINC000096167544 562790536 /nfs/dbraw/zinc/79/05/36/562790536.db2.gz HUKFCLPCVFFLRA-HXUWFJFHSA-N 0 0 502.898 3.625 1 0 KHAFRN O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1ccccc1Cl)CC2=O ZINC000096167545 562790495 /nfs/dbraw/zinc/79/04/95/562790495.db2.gz HUKFCLPCVFFLRA-FQEVSTJZSA-N 0 0 502.898 3.625 1 0 KHAFRN C[C@]1(O)CN(S(=O)(=O)c2ccccc2Cl)CC[C@@]12CCN(c1ccc(OC(F)(F)F)cc1)C2=O ZINC000096167546 562790518 /nfs/dbraw/zinc/79/05/18/562790518.db2.gz LZQOFODQYKDVGM-SFTDATJTSA-N 0 0 518.941 3.807 1 0 KHAFRN C[C@@]1(O)CN(S(=O)(=O)c2ccccc2Cl)CC[C@@]12CCN(c1ccc(OC(F)(F)F)cc1)C2=O ZINC000096167547 562790537 /nfs/dbraw/zinc/79/05/37/562790537.db2.gz LZQOFODQYKDVGM-RTWAWAEBSA-N 0 0 518.941 3.807 1 0 KHAFRN Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(Cc3ccccc3)cnc21 ZINC000096167570 562790496 /nfs/dbraw/zinc/79/04/96/562790496.db2.gz RNIPEWHRLMDRAX-UHFFFAOYSA-N 0 0 502.287 3.631 1 0 KHAFRN Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)N4CCNCC4)c3)nc12 ZINC000096167782 562790566 /nfs/dbraw/zinc/79/05/66/562790566.db2.gz RAQZOOPSAMUJJC-UHFFFAOYSA-N 0 0 511.007 3.697 1 0 KHAFRN COCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nn21 ZINC000096169743 562790807 /nfs/dbraw/zinc/79/08/07/562790807.db2.gz IDSZJSILNXIQJX-UHFFFAOYSA-N 0 0 505.644 3.732 1 0 KHAFRN CCOc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12 ZINC000096169754 562790800 /nfs/dbraw/zinc/79/08/00/562790800.db2.gz PCQXROQPGBLXFI-UHFFFAOYSA-N 0 0 505.644 3.984 1 0 KHAFRN CS(=O)(=O)CCN1CCc2ccc(Nc3nc4c(-c5cccc6c5OC(F)(F)O6)cccn4n3)cc2CC1 ZINC000096169756 562790821 /nfs/dbraw/zinc/79/08/21/562790821.db2.gz OQEVXARZFLVRPJ-UHFFFAOYSA-N 0 0 541.580 3.907 1 0 KHAFRN CCN1CCP(=O)(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cc2)CC1 ZINC000096169911 562790951 /nfs/dbraw/zinc/79/09/51/562790951.db2.gz BFEMVAYKIVOLEV-UHFFFAOYSA-N 0 0 509.572 3.867 1 0 KHAFRN O=C(NCc1c(=O)c2cccnc2n(-c2ccccc2)c1-c1ncco1)c1ccc(N2CCC(CO)CC2)nc1 ZINC000096170100 562791055 /nfs/dbraw/zinc/79/10/55/562791055.db2.gz OKDGRBUIXURZHN-UHFFFAOYSA-N 0 0 536.592 3.574 1 0 KHAFRN CN(C)C(=O)c1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170101 562791049 /nfs/dbraw/zinc/79/10/49/562791049.db2.gz KMQXOXUYRXBJLN-UHFFFAOYSA-N 0 0 546.027 3.508 1 0 KHAFRN CN(C)C(=O)c1c(CNC(=O)c2cnc(N3CCOCC3)s2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170102 562791039 /nfs/dbraw/zinc/79/10/39/562791039.db2.gz ABDYAMAMXLPOKL-UHFFFAOYSA-N 0 0 552.056 3.569 1 0 KHAFRN CN(C)C(=O)c1c(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170107 562791065 /nfs/dbraw/zinc/79/10/65/562791065.db2.gz HCSIHVKWOPLYDN-UHFFFAOYSA-N 0 0 538.025 3.679 1 0 KHAFRN CN(C)C(=O)c1c(CNC(=O)c2ccc(N3CCC(CO)CC3)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170112 562791052 /nfs/dbraw/zinc/79/10/52/562791052.db2.gz DHHFEHIMYPPHRW-UHFFFAOYSA-N 0 0 574.081 3.880 1 0 KHAFRN CN(C)C(=O)c1c(CNC(=O)c2cnc(N3CCC(CO)CC3)s2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170115 562791040 /nfs/dbraw/zinc/79/10/40/562791040.db2.gz CXXSALSVIWXYEK-UHFFFAOYSA-N 0 0 580.110 3.941 1 0 KHAFRN CS(=O)(=O)C1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170161 562791061 /nfs/dbraw/zinc/79/10/61/562791061.db2.gz VELSDPZUMACNNA-UHFFFAOYSA-N 0 0 551.068 3.983 1 0 KHAFRN NC(=O)C1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170178 562791087 /nfs/dbraw/zinc/79/10/87/562791087.db2.gz MDFGOUVHPZWKQM-UHFFFAOYSA-N 0 0 516.001 3.671 1 0 KHAFRN O=C(NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O)c1ccc(N2CCC(CO)CC2)nc1 ZINC000096170198 562791099 /nfs/dbraw/zinc/79/10/99/562791099.db2.gz QNAIJDDBQQFJIY-UHFFFAOYSA-N 0 0 504.537 3.803 1 0 KHAFRN COC(=O)c1c(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170201 562791068 /nfs/dbraw/zinc/79/10/68/562791068.db2.gz VCKFVKZBHJCSCM-UHFFFAOYSA-N 0 0 524.982 3.764 1 0 KHAFRN COC(=O)c1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170204 562791096 /nfs/dbraw/zinc/79/10/96/562791096.db2.gz SAHIBVRRTCRUMI-UHFFFAOYSA-N 0 0 532.984 3.592 1 0 KHAFRN COC(=O)c1c(CNC(=O)c2cnc(N3CCOCC3)s2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170208 562791073 /nfs/dbraw/zinc/79/10/73/562791073.db2.gz MNOQIVNQBLTBKJ-UHFFFAOYSA-N 0 0 539.013 3.654 1 0 KHAFRN CNC(=O)c1ccc(C(=O)NCc2c(=O)c3ccc(Cl)cc3n(-c3ccccc3)c2C(=O)OC)cc1 ZINC000096170210 562791082 /nfs/dbraw/zinc/79/10/82/562791082.db2.gz FJRXHLLDTDWLED-UHFFFAOYSA-N 0 0 503.942 3.720 1 0 KHAFRN COC(=O)c1c(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000096170221 562791075 /nfs/dbraw/zinc/79/10/75/562791075.db2.gz BWJOHPIBTJFLPX-UHFFFAOYSA-N 0 0 528.956 3.551 1 0 KHAFRN CS(=O)(=O)C1CCN(C(=O)N2CCC(NC(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)CC2)CC1 ZINC000096170289 562791123 /nfs/dbraw/zinc/79/11/23/562791123.db2.gz IGLPQBKRFAZQTR-UHFFFAOYSA-N 0 0 600.141 3.537 1 0 KHAFRN C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170428 562791100 /nfs/dbraw/zinc/79/11/00/562791100.db2.gz COVUKGPFFMXSHN-NFBKMPQASA-N 0 0 527.474 3.570 1 0 KHAFRN CN(C)C(=O)N1CCN(C/C=C/C(=O)N2CCc3c(sc4ncnc(Nc5ccc(F)c(Cl)c5)c43)C2)CC1 ZINC000096172258 562791307 /nfs/dbraw/zinc/79/13/07/562791307.db2.gz PJXFDSFGZUPIKW-ONEGZZNKSA-N 0 0 558.083 3.968 1 0 KHAFRN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCS(=O)(=O)CC4)cn3)c3nccnc23)c1F ZINC000096173424 562791392 /nfs/dbraw/zinc/79/13/92/562791392.db2.gz QACRCCSWMAUPPQ-UHFFFAOYSA-N 0 0 586.045 3.984 1 0 KHAFRN COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CO)nnc2[C@@H](Cc2ccccc2)NC(C)=O)cc1 ZINC000096173886 562791580 /nfs/dbraw/zinc/79/15/80/562791580.db2.gz HQOQKRHTKLWNAZ-FQLXRVMXSA-N 0 0 566.662 3.629 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174175 562791755 /nfs/dbraw/zinc/79/17/55/562791755.db2.gz CJNQOHZWJLMVQQ-UHFFFAOYSA-N 0 0 590.544 3.953 1 0 KHAFRN CCOC(=O)CCC(=O)NCCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174177 562791760 /nfs/dbraw/zinc/79/17/60/562791760.db2.gz IRYDWTRHIRJSCG-UHFFFAOYSA-N 0 0 648.580 3.641 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174180 562791767 /nfs/dbraw/zinc/79/17/67/562791767.db2.gz OEILAGQOUDMARP-UHFFFAOYSA-N 0 0 616.460 3.860 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ncoc3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174181 562791761 /nfs/dbraw/zinc/79/17/61/562791761.db2.gz NSDWBNDWEUEGOK-UHFFFAOYSA-N 0 0 629.537 3.908 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174185 562791766 /nfs/dbraw/zinc/79/17/66/562791766.db2.gz VSAPZXNOEBLYMV-UHFFFAOYSA-N 0 0 642.580 3.653 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCOCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174189 562791781 /nfs/dbraw/zinc/79/17/81/562791781.db2.gz MCJVNPJVNGOHPW-UHFFFAOYSA-N 0 0 590.544 3.513 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174190 562791804 /nfs/dbraw/zinc/79/18/04/562791804.db2.gz DGWUFNYVRVBRDE-VXKWHMMOSA-N 0 0 674.618 3.887 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 ZINC000096174511 562791833 /nfs/dbraw/zinc/79/18/33/562791833.db2.gz CTFVUYDEBWSIDJ-NSHDSACASA-N 0 0 538.005 3.732 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000096174615 562791840 /nfs/dbraw/zinc/79/18/40/562791840.db2.gz USTQEUSYKXURJE-NSHDSACASA-N 0 0 538.005 3.732 1 0 KHAFRN CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(=O)C(C)C ZINC000096175820 562792047 /nfs/dbraw/zinc/79/20/47/562792047.db2.gz UWVIKPAJJNWMLH-UHFFFAOYSA-N 0 0 581.329 3.652 1 0 KHAFRN Cc1nc(Nc2cc(-c3ccc(CNC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]n2)cc(N2CCN(CCO)CC2)n1 ZINC000096270644 562793277 /nfs/dbraw/zinc/79/32/77/562793277.db2.gz PJQVRCVOTATLHM-UHFFFAOYSA-N 0 0 574.690 3.640 1 0 KHAFRN CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+]CC[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270835 562793399 /nfs/dbraw/zinc/79/33/99/562793399.db2.gz XTLWJZCMALDLAL-JWQCQUIFSA-N 0 0 524.620 3.768 1 0 KHAFRN CCOCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270962 562793596 /nfs/dbraw/zinc/79/35/96/562793596.db2.gz MXLSTDMUPFTWHA-AWEZNQCLSA-N 0 0 521.533 3.836 1 0 KHAFRN CCOCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270963 562793602 /nfs/dbraw/zinc/79/36/02/562793602.db2.gz MXLSTDMUPFTWHA-CQSZACIVSA-N 0 0 521.533 3.836 1 0 KHAFRN Cc1cc(NC(=O)c2ccc(Br)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 ZINC000096271776 562793890 /nfs/dbraw/zinc/79/38/90/562793890.db2.gz NIPQLMFTYDYKDL-UHFFFAOYSA-N 0 0 520.181 3.968 1 0 KHAFRN CCc1cc(Cc2cccc(OC)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1 ZINC000096271819 562793894 /nfs/dbraw/zinc/79/38/94/562793894.db2.gz QPAXHVPVXIAMHT-UHFFFAOYSA-N 0 0 503.340 3.648 1 0 KHAFRN COc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271824 562793883 /nfs/dbraw/zinc/79/38/83/562793883.db2.gz QHOLDIQQONVHTG-UHFFFAOYSA-N 0 0 542.636 3.864 1 0 KHAFRN O=C(CN1CCN(CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271836 562793906 /nfs/dbraw/zinc/79/39/06/562793906.db2.gz IFYBWVINZZLKPU-UHFFFAOYSA-N 0 0 512.610 3.855 1 0 KHAFRN COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc43)C2=O)cc(OC)c1 ZINC000096273420 562794496 /nfs/dbraw/zinc/79/44/96/562794496.db2.gz VUCMAAXWLOSQPX-VAVYLYDRSA-N 0 0 500.551 3.968 1 0 KHAFRN COc1cc(CNC(=O)[C@@]2(Cc3cccc4nonc43)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273444 562794498 /nfs/dbraw/zinc/79/44/98/562794498.db2.gz PCKXCBFMTVNCON-JYRCXFKTSA-N 0 0 530.537 3.578 1 0 KHAFRN COc1cc(CNC(=O)[C@@]2(Cc3ccc4nonc4c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273445 562794497 /nfs/dbraw/zinc/79/44/97/562794497.db2.gz JDDMLNMPENCWBJ-JYRCXFKTSA-N 0 0 530.537 3.578 1 0 KHAFRN CCC[n+]1c(C)c(C)n(C)c1SCC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000096282463 562794728 /nfs/dbraw/zinc/79/47/28/562794728.db2.gz POSBDMMQBMTQCP-NSOVKSMOSA-O 0 0 609.769 3.888 1 0 KHAFRN CCn1c(C)c(C)[n+](CC)c1SCC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000096282464 562794738 /nfs/dbraw/zinc/79/47/38/562794738.db2.gz LZCBFLIKKQTKRM-NSOVKSMOSA-O 0 0 609.769 3.981 1 0 KHAFRN COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3[nH]c(N)[nH+]c3c2)n1 ZINC000096283212 562794782 /nfs/dbraw/zinc/79/47/82/562794782.db2.gz VONRMZQOIJRIBX-UHFFFAOYSA-N 0 0 516.558 3.942 1 0 KHAFRN COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc(C(N)=[NH2+])cc2)n1 ZINC000096283215 562794749 /nfs/dbraw/zinc/79/47/49/562794749.db2.gz CATVOBGLOJBTJR-UHFFFAOYSA-N 0 0 503.559 3.768 1 0 KHAFRN Cc1cc(C)cc(CC(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)c1 ZINC000096283477 562794864 /nfs/dbraw/zinc/79/48/64/562794864.db2.gz QKLWNZWMNLYMPC-XJFCNFDWSA-N 0 0 577.770 3.531 1 0 KHAFRN Cc1cc(C)cc(CC(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)c1 ZINC000096283478 562794880 /nfs/dbraw/zinc/79/48/80/562794880.db2.gz QKLWNZWMNLYMPC-WBBHLRKXSA-N 0 0 577.770 3.531 1 0 KHAFRN Cc1cc(C)cc(CC(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@H](C(N)=O)[C@H](C)O)cn4)CC3)CC2)c1 ZINC000096283479 562794868 /nfs/dbraw/zinc/79/48/68/562794868.db2.gz QKLWNZWMNLYMPC-DLLPINGYSA-N 0 0 577.770 3.531 1 0 KHAFRN Cc1cc(C)cc(CC(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@@H](C(N)=O)[C@H](C)O)cn4)CC3)CC2)c1 ZINC000096283480 562794862 /nfs/dbraw/zinc/79/48/62/562794862.db2.gz QKLWNZWMNLYMPC-QXNWPYRLSA-N 0 0 577.770 3.531 1 0 KHAFRN CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2cnc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000096284519 562795184 /nfs/dbraw/zinc/79/51/84/562795184.db2.gz FWXOVZFVLYDPOD-CONSDPRKSA-N 0 0 586.643 3.684 1 0 KHAFRN CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C1(C)C ZINC000096284520 562795164 /nfs/dbraw/zinc/79/51/64/562795164.db2.gz BPUXOOPSWYLWIN-IOWSJCHKSA-N 0 0 559.617 3.755 1 0 KHAFRN CN1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C1(C)C ZINC000096284521 562795189 /nfs/dbraw/zinc/79/51/89/562795189.db2.gz MBVVEHIHYLQRBC-QABMSTFYSA-N 0 0 545.590 3.581 1 0 KHAFRN CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(CCOc3cc(=O)oc4ccccc34)nn2)CC1 ZINC000096285701 562795898 /nfs/dbraw/zinc/79/58/98/562795898.db2.gz CMSIZUHSPJDBIA-UHFFFAOYSA-N 0 0 531.660 3.534 1 0 KHAFRN COC(=O)CCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286086 562796027 /nfs/dbraw/zinc/79/60/27/562796027.db2.gz OCBMMARXKZJQOI-LBPRGKRZSA-N 0 0 537.557 3.686 1 0 KHAFRN COC(=O)CCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286087 562796030 /nfs/dbraw/zinc/79/60/30/562796030.db2.gz OCBMMARXKZJQOI-GFCCVEGCSA-N 0 0 537.557 3.686 1 0 KHAFRN CC(C)OC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1 ZINC000096286497 562796126 /nfs/dbraw/zinc/79/61/26/562796126.db2.gz JDNUWBKKCJHGHA-UHFFFAOYSA-N 0 0 510.517 3.998 1 0 KHAFRN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1 ZINC000096286504 562796149 /nfs/dbraw/zinc/79/61/49/562796149.db2.gz FQPLYBVZPGYIOE-UHFFFAOYSA-N 0 0 509.533 3.571 1 0 KHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCC(C)CC4)nc3C(F)(F)F)cn2)CC1 ZINC000096286510 562796161 /nfs/dbraw/zinc/79/61/61/562796161.db2.gz WHRGYIPAFPBVLT-UHFFFAOYSA-N 0 0 510.517 3.856 1 0 KHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCC[C@H](C)C4)nc3C(F)(F)F)cn2)CC1 ZINC000096286511 562796156 /nfs/dbraw/zinc/79/61/56/562796156.db2.gz HUABKMWZHPKZAR-HNNXBMFYSA-N 0 0 510.517 3.856 1 0 KHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCC[C@@H](C)C4)nc3C(F)(F)F)cn2)CC1 ZINC000096286512 562796190 /nfs/dbraw/zinc/79/61/90/562796190.db2.gz HUABKMWZHPKZAR-OAHLLOKOSA-N 0 0 510.517 3.856 1 0 KHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCCC[C@@H]4C)nc3C(F)(F)F)cn2)CC1 ZINC000096286513 562796203 /nfs/dbraw/zinc/79/62/03/562796203.db2.gz SAQQTSUJPRDCMP-HNNXBMFYSA-N 0 0 510.517 3.998 1 0 KHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)c3oc(N4CCCC[C@H]4C)nc3C(F)(F)F)cn2)CC1 ZINC000096286514 562796179 /nfs/dbraw/zinc/79/61/79/562796179.db2.gz SAQQTSUJPRDCMP-OAHLLOKOSA-N 0 0 510.517 3.998 1 0 KHAFRN COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 ZINC000096302119 562796295 /nfs/dbraw/zinc/79/62/95/562796295.db2.gz JRIIEYUXFNKBIY-SFRFHSQUSA-N 0 0 837.984 3.610 1 0 KHAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000096305588 562796327 /nfs/dbraw/zinc/79/63/27/562796327.db2.gz KSHVXDGRNDIMQZ-LJNRZNKNSA-N 0 0 640.730 3.863 1 0 KHAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccccc3F)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000096316306 562796500 /nfs/dbraw/zinc/79/65/00/562796500.db2.gz JFEBLQDCQRSSHS-YSQWDHOWSA-N 0 0 535.524 3.986 1 0 KHAFRN Cc1cccc(C[C@H](NC(=O)N2CCN(C)CC2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)c1 ZINC000096319031 562796631 /nfs/dbraw/zinc/79/66/31/562796631.db2.gz AHBGUZZUDICMCJ-MPPNSLKJSA-N 0 0 588.774 3.968 1 0 KHAFRN CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]2[C@H]3C[C@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(OC(=O)CCC)[C@H](O3)[C@@H]2[C@H]1C(C)C ZINC000096900408 562796831 /nfs/dbraw/zinc/79/68/31/562796831.db2.gz HCQIFRTWVUQXOW-YCZQKTHSSA-N 0 0 612.757 3.635 1 0 KHAFRN CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@H](C)[C@@H]1O ZINC000096900496 562796899 /nfs/dbraw/zinc/79/68/99/562796899.db2.gz JLPDBLFIVFSOCC-MSNQMZSTSA-N 0 0 576.727 3.681 1 0 KHAFRN CC(C)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)O[C@@H](C)c1ccccc1 ZINC000096900522 562796923 /nfs/dbraw/zinc/79/69/23/562796923.db2.gz SDISAHTVKXDCHG-OTCUDGLCSA-N 0 0 706.693 3.987 1 0 KHAFRN CC(C)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)O[C@H](C)c1ccccc1 ZINC000096900523 562796917 /nfs/dbraw/zinc/79/69/17/562796917.db2.gz SDISAHTVKXDCHG-DALWBRAGSA-N 0 0 706.693 3.987 1 0 KHAFRN CC(C)[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)O[C@@H](C)c1ccccc1 ZINC000096900524 562796915 /nfs/dbraw/zinc/79/69/15/562796915.db2.gz SDISAHTVKXDCHG-VZJIKRLLSA-N 0 0 706.693 3.987 1 0 KHAFRN CC(C)C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000096901095 562797035 /nfs/dbraw/zinc/79/70/35/562797035.db2.gz RGYGPAYJMJPWTA-CKRYJMMQSA-N 0 0 706.693 3.816 1 0 KHAFRN CC[C@H](C)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000096901107 562797044 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684.687 3.558 1 0 KHAFRN Cc1ccccc1COC(=O)[C@@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(C)C ZINC000096901261 562797085 /nfs/dbraw/zinc/79/70/85/562797085.db2.gz UMEKFXBJCZJCQA-NNIXXWDDSA-N 0 0 706.693 3.734 1 0 KHAFRN Cc1ccccc1COC(=O)[C@@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(C)C ZINC000096901262 562797090 /nfs/dbraw/zinc/79/70/90/562797090.db2.gz UMEKFXBJCZJCQA-PHEVHMDISA-N 0 0 706.693 3.734 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCCCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2 ZINC000096901340 562797072 /nfs/dbraw/zinc/79/70/72/562797072.db2.gz ZCUIZJVMDINRRB-FPOVZHCZSA-N 0 0 576.672 3.903 1 0 KHAFRN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCCCCC[C@H]3N(Cc3ccc(F)cc3)C1=O)N2 ZINC000096901341 562797079 /nfs/dbraw/zinc/79/70/79/562797079.db2.gz ZCUIZJVMDINRRB-TZIWHRDSSA-N 0 0 576.672 3.903 1 0 KHAFRN 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ZINC000096906861 562798932 /nfs/dbraw/zinc/79/89/32/562798932.db2.gz UUNXZBJIICBVLL-LHLTXAEJSA-N 0 0 715.848 3.761 1 0 KHAFRN O=C1N=C2c3cc4c(nc3N[C@H](c3ccccc3Cl)C2C(=O)N1)N[C@H](c1ccccc1Cl)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906917 562798901 /nfs/dbraw/zinc/79/89/01/562798901.db2.gz RVFFHWKYMCGNJC-RTBURBONSA-N 0 0 574.384 3.505 1 0 KHAFRN O=C1N=C2c3cc4c(nc3N[C@@H](c3ccccc3Cl)C2C(=O)N1)N[C@@H](c1ccccc1Cl)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906919 562798991 /nfs/dbraw/zinc/79/89/91/562798991.db2.gz RVFFHWKYMCGNJC-OALUTQOASA-N 0 0 574.384 3.505 1 0 KHAFRN O=C1N=C2c3cc4c(nc3N[C@H](c3ccc(Cl)cc3)C2C(=O)N1)N[C@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906920 562798973 /nfs/dbraw/zinc/79/89/73/562798973.db2.gz KTNHVISTMOBQBZ-RTBURBONSA-N 0 0 574.384 3.505 1 0 KHAFRN O=C1N=C2c3cc4c(nc3N[C@@H](c3ccc(Cl)cc3)C2C(=O)N1)N[C@@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906922 562798969 /nfs/dbraw/zinc/79/89/69/562798969.db2.gz KTNHVISTMOBQBZ-OALUTQOASA-N 0 0 574.384 3.505 1 0 KHAFRN COc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(OC)ccc3OC)c2)cc1 ZINC000096907104 562799015 /nfs/dbraw/zinc/79/90/15/562799015.db2.gz LNDXEXUTQMQCLA-UHFFFAOYSA-N 0 0 500.573 3.940 1 0 KHAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N(C)S(C)(=O)=O)c1 ZINC000096907105 562799003 /nfs/dbraw/zinc/79/90/03/562799003.db2.gz XJCANJCAZDLNLO-UHFFFAOYSA-N 0 0 530.599 3.948 1 0 KHAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(C)(=O)=O)c1 ZINC000096907108 562799041 /nfs/dbraw/zinc/79/90/41/562799041.db2.gz RHLQQFWNDSNUOJ-UHFFFAOYSA-N 0 0 514.556 3.660 1 0 KHAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2NS(C)(=O)=O)c1 ZINC000096907111 562799033 /nfs/dbraw/zinc/79/90/33/562799033.db2.gz ROOGRPRNWIQQDK-UHFFFAOYSA-N 0 0 516.572 3.924 1 0 KHAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2NS(C)(=O)=O)c1 ZINC000096907114 562799035 /nfs/dbraw/zinc/79/90/35/562799035.db2.gz PIWUCDPMEFZJLM-UHFFFAOYSA-N 0 0 500.529 3.635 1 0 KHAFRN COc1ccc2c(c1)CCC1=C2N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(Br)cc1 ZINC000096907270 562799080 /nfs/dbraw/zinc/79/90/80/562799080.db2.gz SRRDIDDMAXVXKR-GOSISDBHSA-N 0 0 505.419 3.834 1 0 KHAFRN COc1ccc2c(c1)CCC1=C2N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(Br)cc1 ZINC000096907271 562799096 /nfs/dbraw/zinc/79/90/96/562799096.db2.gz SRRDIDDMAXVXKR-SFHVURJKSA-N 0 0 505.419 3.834 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000096908156 562799307 /nfs/dbraw/zinc/79/93/07/562799307.db2.gz FSENSIQKQXFHBB-GPXNEJASSA-N 0 0 545.617 3.663 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000096908157 562799326 /nfs/dbraw/zinc/79/93/26/562799326.db2.gz FSENSIQKQXFHBB-AKFKNWHVSA-N 0 0 545.617 3.663 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C1CCCCC1)C(=O)c1nc2ccccc2o1 ZINC000096908162 562799316 /nfs/dbraw/zinc/79/93/16/562799316.db2.gz COPOVXUTXSVAAO-GPXNEJASSA-N 0 0 551.665 3.929 1 0 KHAFRN CC[C@@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C1CCCCC1)C(=O)c1nc2ccccc2o1 ZINC000096908163 562799325 /nfs/dbraw/zinc/79/93/25/562799325.db2.gz COPOVXUTXSVAAO-AKFKNWHVSA-N 0 0 551.665 3.929 1 0 KHAFRN CCOC(=O)CCCNc1nc(NCCc2ccc(OCCCC(=O)OCC)cc2)nc2nc(-c3ccco3)nn21 ZINC000096908210 562799345 /nfs/dbraw/zinc/79/93/45/562799345.db2.gz PYQLYCZMHJUUFX-UHFFFAOYSA-N 0 0 565.631 3.911 1 0 KHAFRN CCOC(=O)[C@@H]1CS[C@]2(c3cc(Br)ccc3N(C)C2=O)N1C(=O)Cc1ccc(Cl)cc1 ZINC000096908993 562799495 /nfs/dbraw/zinc/79/94/95/562799495.db2.gz FRRYLBOTZBLUHH-AVRDEDQJSA-N 0 0 523.836 3.982 1 0 KHAFRN CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)Cc1ccc(Cl)cc1 ZINC000096909009 562799531 /nfs/dbraw/zinc/79/95/31/562799531.db2.gz KUHHJZFKWCKQAS-UWJYYQICSA-N 0 0 509.809 3.957 1 0 KHAFRN C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)c1c(O)c(-c2ccc(OCC(N)=O)cc2)cn(CC(N)=O)c1=O ZINC000096909871 562799775 /nfs/dbraw/zinc/79/97/75/562799775.db2.gz NSSUTFIJOBBYRW-GJRUCJCWSA-N 0 0 547.652 3.574 1 0 KHAFRN CC(=O)Nc1ccc(O)cc1CCCC[C@@H]1C[C@@H]2C[C@]3(O1)O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2 ZINC000096910110 562799834 /nfs/dbraw/zinc/79/98/34/562799834.db2.gz CEKRSAHOOABOIH-SRNYKQFGSA-N 0 0 547.645 3.754 1 0 KHAFRN CC(=O)Nc1ccc(CCCC[C@@H]2C[C@@H]3C[C@]4(O2)O[C@H](CCC4(C)C)CC(=O)O[C@@H](CO)CC(=O)O3)cc1O ZINC000096910111 562799830 /nfs/dbraw/zinc/79/98/30/562799830.db2.gz VBVNCTKBGHFPHV-CEMXZPMNSA-N 0 0 547.645 3.754 1 0 KHAFRN COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)cn1C ZINC000096910464 562799998 /nfs/dbraw/zinc/79/99/98/562799998.db2.gz CGCCPXNCYBOVHP-QFIPXVFZSA-N 0 0 713.752 3.515 1 0 in-vivo KHAFRN Cc1cc(C)n2nc(SCc3nnc(SCn4cnc5c(Cl)cccc5c4=O)s3)nc2n1 ZINC000096910570 562800021 /nfs/dbraw/zinc/80/00/21/562800021.db2.gz WISHSHNQVCOKPL-UHFFFAOYSA-N 0 0 503.038 3.998 1 0 KHAFRN CCOC(=O)CCc1ccccc1O[P@@](=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1OC[C@H](n2cnc3c2ncnc3NC2CC2)O1 ZINC000096911243 562800153 /nfs/dbraw/zinc/80/01/53/562800153.db2.gz NTIYEFQXSYNGLO-UBELUFMWSA-N 0 0 632.611 3.513 1 0 KHAFRN CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000096913228 562800207 /nfs/dbraw/zinc/80/02/07/562800207.db2.gz RPCCLOCZZKOVRB-PZMHSVQKSA-N 0 0 604.825 3.996 1 0 KHAFRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)[C@H](C)[C@@H]1C ZINC000096913439 562800226 /nfs/dbraw/zinc/80/02/26/562800226.db2.gz HGGBYEHYTYZPQS-SSFWPFINSA-N 0 0 608.769 3.522 1 0 KHAFRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCCCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)[C@H](O)[C@@H]1O ZINC000096913456 562800233 /nfs/dbraw/zinc/80/02/33/562800233.db2.gz AYDQZOJLBAJBEG-XYIJYTLJSA-N 0 0 710.902 3.702 1 0 KHAFRN COc1ccc(-c2nc3cc(C(=O)NCCOCCO)ccc3n2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000096913785 562800417 /nfs/dbraw/zinc/80/04/17/562800417.db2.gz WIWXWHSPPGTFOL-UHFFFAOYSA-N 0 0 549.624 3.719 1 0 KHAFRN COc1ccc(CCn2c(CCc3ccccc3)nc3cc(C(=O)NCCOCCO)ccc32)cc1OC ZINC000096913786 562800400 /nfs/dbraw/zinc/80/04/00/562800400.db2.gz JBEFTCLEJJDKRI-UHFFFAOYSA-N 0 0 517.626 3.820 1 0 KHAFRN CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccn1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913877 562800484 /nfs/dbraw/zinc/80/04/84/562800484.db2.gz UYPZAVCQQZMAJH-XMMPIXPASA-N 0 0 505.615 3.964 1 0 KHAFRN CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccn1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913878 562800475 /nfs/dbraw/zinc/80/04/75/562800475.db2.gz UYPZAVCQQZMAJH-DEOSSOPVSA-N 0 0 505.615 3.964 1 0 KHAFRN CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1cccnc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913879 562800496 /nfs/dbraw/zinc/80/04/96/562800496.db2.gz QXPYKINGZRWGMN-XMMPIXPASA-N 0 0 505.615 3.964 1 0 KHAFRN CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1cccnc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913880 562800438 /nfs/dbraw/zinc/80/04/38/562800438.db2.gz QXPYKINGZRWGMN-DEOSSOPVSA-N 0 0 505.615 3.964 1 0 KHAFRN COc1ccc(C[C@@H]2c3cc(OS(C)(=O)=O)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913952 562800641 /nfs/dbraw/zinc/80/06/41/562800641.db2.gz IMAUFVRNNISMAO-XMMPIXPASA-N 0 0 554.665 3.509 1 0 KHAFRN COc1ccc(C[C@H]2c3cc(OS(C)(=O)=O)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913953 562800605 /nfs/dbraw/zinc/80/06/05/562800605.db2.gz IMAUFVRNNISMAO-DEOSSOPVSA-N 0 0 554.665 3.509 1 0 KHAFRN O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1nc(Cl)c2ccccc2c1[O-] ZINC000096913982 562800688 /nfs/dbraw/zinc/80/06/88/562800688.db2.gz XUFUXQCDCPXCAO-GBZKITJQSA-N 0 0 548.039 3.662 1 0 KHAFRN CCOC(=O)Cn1ncc2c1ncnc2Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000096914181 562800755 /nfs/dbraw/zinc/80/07/55/562800755.db2.gz MEXYYRFHLPOBGE-UHFFFAOYSA-N 0 0 531.392 3.696 1 0 KHAFRN COc1ccc(CCn2c3ccc(C(=O)NCCOCCO)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000096914542 562800797 /nfs/dbraw/zinc/80/07/97/562800797.db2.gz YYVXNULRTAXEJA-UHFFFAOYSA-N 0 0 579.650 3.728 1 0 KHAFRN COC(=O)c1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)cn1C ZINC000096914589 562800826 /nfs/dbraw/zinc/80/08/26/562800826.db2.gz IAIKAWBVKOOREI-QFIPXVFZSA-N 0 0 713.752 3.515 1 0 KHAFRN CCOC(=O)c1nc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)cn1C ZINC000096914590 562800827 /nfs/dbraw/zinc/80/08/27/562800827.db2.gz YBBHHAIWMLOWPI-QHCPKHFHSA-N 0 0 727.779 3.905 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@@H]([C@H](Oc1ccc(C=O)cc1)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O)C(=O)OC ZINC000096914825 562800854 /nfs/dbraw/zinc/80/08/54/562800854.db2.gz CGAWDWKEAPCLKR-BVQMNGHBSA-N 0 0 551.684 3.838 1 0 KHAFRN COC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](Oc1ccc(C=O)cc1)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O ZINC000096914844 562800876 /nfs/dbraw/zinc/80/08/76/562800876.db2.gz FOFKTZSZENIWRZ-LJWNLINESA-N 0 0 551.684 3.838 1 0 KHAFRN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@H](Oc1ccc(C=O)cc1)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O ZINC000096914845 562800882 /nfs/dbraw/zinc/80/08/82/562800882.db2.gz FOFKTZSZENIWRZ-YVHASNINSA-N 0 0 551.684 3.838 1 0 KHAFRN O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)NCc1cn(CCNc2ccnc3cc(Cl)ccc32)nn1)c1ccccc1 ZINC000096914876 562800883 /nfs/dbraw/zinc/80/08/83/562800883.db2.gz VFPBZIXQNVBJSX-WUFINQPMSA-N 0 0 570.053 3.740 1 0 KHAFRN CCCOc1ccc(S(=O)(=O)NCC[NH+](CC)CC)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916029 562801174 /nfs/dbraw/zinc/80/11/74/562801174.db2.gz YKIMYROBNZZIQH-UHFFFAOYSA-N 0 0 529.501 3.732 1 0 KHAFRN O=C1c2ccccc2C(=O)N1CCCn1cc(-c2ccc(-c3cn(CCCN4C(=O)c5ccccc5C4=O)nn3)cc2)nn1 ZINC000096917637 562801360 /nfs/dbraw/zinc/80/13/60/562801360.db2.gz FYCXDBIOUVLPDR-UHFFFAOYSA-N 0 0 586.612 3.576 1 0 KHAFRN COc1cc(-c2c(C(=O)c3ccccc3)[nH]c3nc[nH]c(=O)c32)cc(I)c1OC ZINC000096921738 562801517 /nfs/dbraw/zinc/80/15/17/562801517.db2.gz PMIZZVVGZOFYNT-UHFFFAOYSA-N 0 0 501.280 3.771 1 0 KHAFRN O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2ccc(C(F)(F)F)nc2)CCCC1 ZINC000096921958 562801632 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C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1cccnc1 ZINC000100069714 562806567 /nfs/dbraw/zinc/80/65/67/562806567.db2.gz CYGAJNKOYQUXNL-LJQANCHMSA-N 0 0 578.044 3.938 1 0 KHAFRN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1ccncc1 ZINC000100069717 562806553 /nfs/dbraw/zinc/80/65/53/562806553.db2.gz VSJZEZYNEKUFBD-LJQANCHMSA-N 0 0 578.044 3.938 1 0 KHAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCCCC[C@H]21 ZINC000100084085 562806736 /nfs/dbraw/zinc/80/67/36/562806736.db2.gz RPERGIFYDAWWBO-FUHWJXTLSA-N 0 0 538.692 3.610 1 0 KHAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCCCC[C@@H]21 ZINC000100084088 562806756 /nfs/dbraw/zinc/80/67/56/562806756.db2.gz RPERGIFYDAWWBO-WMZOPIPTSA-N 0 0 538.692 3.610 1 0 KHAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCCCC[C@H]21 ZINC000100084090 562806754 /nfs/dbraw/zinc/80/67/54/562806754.db2.gz RPERGIFYDAWWBO-SJLPKXTDSA-N 0 0 538.692 3.610 1 0 KHAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000100084094 562806728 /nfs/dbraw/zinc/80/67/28/562806728.db2.gz RPERGIFYDAWWBO-AEFFLSMTSA-N 0 0 538.692 3.610 1 0 KHAFRN CC(C)(C)CC[C@]1(C)CN(C2CCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095131 562806825 /nfs/dbraw/zinc/80/68/25/562806825.db2.gz OPWWABYKLFKUKE-XMMPIXPASA-N 0 0 538.692 3.610 1 0 KHAFRN CC(C)CC[C@]1(C)CN(C2CCCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095145 562806797 /nfs/dbraw/zinc/80/67/97/562806797.db2.gz TXEOLWVIZKSKML-XMMPIXPASA-N 0 0 538.692 3.610 1 0 in-vitro KHAFRN CC(C)CC[C@]1(C)CN(c2ccccc2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095151 562806801 /nfs/dbraw/zinc/80/68/01/562806801.db2.gz XUJSNTXMSWUNBZ-RUZDIDTESA-N 0 0 546.671 3.872 1 0 KHAFRN COc1ccc(C2=N[C@@H](c3ccc(S(C)(=O)=O)cc3)C(C(=O)Nc3ccc4n[nH]cc4c3)=C(C)N2)cc1 ZINC000100410950 562806953 /nfs/dbraw/zinc/80/69/53/562806953.db2.gz 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KHAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1ncnn1C)CC2 ZINC000103300578 562824909 /nfs/dbraw/zinc/82/49/09/562824909.db2.gz WJXLMNMQHNIKHC-HNNXBMFYSA-N 0 0 532.022 3.504 1 0 KHAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1n[nH]c(C)n1)CC2 ZINC000103300581 562824915 /nfs/dbraw/zinc/82/49/15/562824915.db2.gz XGBQZJJTMSHBTF-HNNXBMFYSA-N 0 0 532.022 3.802 1 0 KHAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)N1CCOCC1)CC2 ZINC000103300653 562824963 /nfs/dbraw/zinc/82/49/63/562824963.db2.gz PRUSGVYDCMNDBY-KRWDZBQOSA-N 0 0 521.035 3.596 1 0 KHAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NS(=O)(=O)CC(C)C)CC2 ZINC000103300891 562824982 /nfs/dbraw/zinc/82/49/82/562824982.db2.gz PMIOJGHECCMTLI-KRWDZBQOSA-N 0 0 512.024 3.964 1 0 KHAFRN NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1)CC2 ZINC000103301373 562825022 /nfs/dbraw/zinc/82/50/22/562825022.db2.gz RRIAMUVJZSPBRM-UHFFFAOYSA-N 0 0 505.640 3.927 1 0 KHAFRN NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1cccc(N3CCC(Cc4ccccc4)CC3)c1)CC2 ZINC000103301399 562825019 /nfs/dbraw/zinc/82/50/19/562825019.db2.gz OZMZHCPUYNLKBI-UHFFFAOYSA-N 0 0 505.640 3.927 1 0 KHAFRN COc1ccc([C@@]23Oc4cc5c(c(OC)c4[C@]2(O)C(=O)[C@@H](C(=O)N2CCC[C@H]2NC(=O)C(C)C)[C@H]3c2ccccc2)OCO5)cc1 ZINC000103567750 565196566 /nfs/dbraw/zinc/19/65/66/565196566.db2.gz BJIDEXYWQKFHOB-LSIGZXFQSA-N 0 0 628.678 3.611 1 0 biogenic,in-vitro KHAFRN C/C=C(/C)C(=O)O[C@@H](C)[C@](C)(O)C(=O)O[C@@H]1/C=C(\C)CC[C@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@@H]21 ZINC000103567804 560052086 /nfs/dbraw/zinc/05/20/86/560052086.db2.gz BUSAHALMCCWHAC-LGVFANDZSA-N 0 0 562.656 3.645 1 0 biogenic,in-vitro KHAFRN CC(=O)O[C@@H]1CO[C@H](n2c3ccc(Br)cc3c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105494534 562825293 /nfs/dbraw/zinc/82/52/93/562825293.db2.gz MUWPUDSOZQNDBO-SVPADUAOSA-N 0 0 591.436 3.608 1 0 KHAFRN CC(=O)OC[C@@H]1O[C@H](n2c3ccc(Br)cc3c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105494547 562825354 /nfs/dbraw/zinc/82/53/54/562825354.db2.gz HMTPVULSMIRKKZ-KHUIQGCPSA-N 0 0 591.436 3.608 1 0 KHAFRN Nc1ncnc2oc([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)nc21 ZINC000105512687 562825358 /nfs/dbraw/zinc/82/53/58/562825358.db2.gz SRASKKOEPQRWKJ-RVFVQDDPSA-N 0 0 580.553 3.948 1 0 KHAFRN Nc1ncnc2oc([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)nc21 ZINC000105512693 562825361 /nfs/dbraw/zinc/82/53/61/562825361.db2.gz SRASKKOEPQRWKJ-WJNCPCKPSA-N 0 0 580.553 3.948 1 0 KHAFRN O=C(c1nn(-c2ccc3nn(Cc4ccccc4)cc3c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112939640 562825533 /nfs/dbraw/zinc/82/55/33/562825533.db2.gz UTLSPTUUNLZFJI-UHFFFAOYSA-N 0 0 539.617 3.697 1 0 KHAFRN O=C(c1nn(-c2cccc(CN3CCC(F)(F)CC3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940999 562825714 /nfs/dbraw/zinc/82/57/14/562825714.db2.gz AWYHTRSXSTVTIF-UHFFFAOYSA-N 0 0 542.608 3.530 1 0 KHAFRN O=C(c1nn(-c2cccc(CN3CCCC(F)(F)C3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941949 562825827 /nfs/dbraw/zinc/82/58/27/562825827.db2.gz UKHWFWKSJXRQSV-UHFFFAOYSA-N 0 0 542.608 3.530 1 0 KHAFRN Cc1noc(C)c1-c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1 ZINC000112942201 562825959 /nfs/dbraw/zinc/82/59/59/562825959.db2.gz MWFGYPVIIVOLMX-UHFFFAOYSA-N 0 0 504.568 3.571 1 0 KHAFRN O=C(c1nn(-c2ccc(CN3CCCC(F)(F)C3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942263 562825917 /nfs/dbraw/zinc/82/59/17/562825917.db2.gz UQOMRZMTEAAICA-UHFFFAOYSA-N 0 0 542.608 3.530 1 0 KHAFRN CC(C)CCO[C@@H]1CCN(Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1 ZINC000112943337 562826079 /nfs/dbraw/zinc/82/60/79/562826079.db2.gz SPSKNHQNGRNHNA-RUZDIDTESA-N 0 0 578.735 3.936 1 0 KHAFRN CC(C)CCO[C@H]1CCN(Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1 ZINC000112943339 562826098 /nfs/dbraw/zinc/82/60/98/562826098.db2.gz SPSKNHQNGRNHNA-VWLOTQADSA-N 0 0 578.735 3.936 1 0 KHAFRN Cc1nc(C)n(CCC2CCN(c3ccc(NC(=O)N4CCN(C(=O)c5cccn5C)CC4)cc3)CC2)n1 ZINC000112970047 562826109 /nfs/dbraw/zinc/82/61/09/562826109.db2.gz XBZATZBFXPOSMS-UHFFFAOYSA-N 0 0 518.666 3.530 1 0 KHAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000113088743 562826127 /nfs/dbraw/zinc/82/61/27/562826127.db2.gz HVGPMLVRZKGZEO-MUUNZHRXSA-N 0 0 526.616 3.886 1 0 KHAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000113089387 562826186 /nfs/dbraw/zinc/82/61/86/562826186.db2.gz BIQFJIODAHNJHV-RUZDIDTESA-N 0 0 535.601 3.501 1 0 KHAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N(C3CCCCC3)S(C)(=O)=O)cc2)C1 ZINC000113090277 562826189 /nfs/dbraw/zinc/82/61/89/562826189.db2.gz VFNOXMIMFRBAFI-RUZDIDTESA-N 0 0 541.649 3.658 1 0 KHAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N(CCO)C3CCCCC3)cc2)C1 ZINC000113090317 562826187 /nfs/dbraw/zinc/82/61/87/562826187.db2.gz YKMSSGQGTGKHIZ-AREMUKBSSA-N 0 0 507.610 3.691 1 0 KHAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(NC(=S)Nc3cccnc3)cc2)C1 ZINC000113090524 562826234 /nfs/dbraw/zinc/82/62/34/562826234.db2.gz ITDQQOCYJJQZEW-HSZRJFAPSA-N 0 0 517.590 3.763 1 0 KHAFRN COC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c2c3cc(-c3ccc(OC)c(F)c3)cc2C(N)=O)CC1 ZINC000113145339 562826206 /nfs/dbraw/zinc/82/62/06/562826206.db2.gz JHGAPYIORHUNRK-UHFFFAOYSA-N 0 0 504.518 3.759 1 0 KHAFRN CC(=O)Nc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc3[nH]cnc32)cn1 ZINC000113149875 562826193 /nfs/dbraw/zinc/82/61/93/562826193.db2.gz MPIKFBOIJJWFMA-UHFFFAOYSA-N 0 0 528.598 3.815 1 0 KHAFRN COc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc3[nH]cnc32)cn1 ZINC000113150457 562826238 /nfs/dbraw/zinc/82/62/38/562826238.db2.gz MEPGYPCCBRRWSI-UHFFFAOYSA-N 0 0 501.572 3.865 1 0 KHAFRN O=C(OCc1cc(Cl)cc(Cl)c1)N1CCC(N2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)CC1 ZINC000113161921 562826257 /nfs/dbraw/zinc/82/62/57/562826257.db2.gz OALNQDOMXHSFCG-UHFFFAOYSA-N 0 0 533.412 3.987 1 0 KHAFRN O=C(NCCO)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000113162276 562826245 /nfs/dbraw/zinc/82/62/45/562826245.db2.gz TUAVQGYGMJCFLF-UHFFFAOYSA-N 0 0 513.925 3.871 1 0 KHAFRN NC(=O)c1cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)nc2c3ccc(N4CCOCC4)cc3[nH]c21 ZINC000113197981 562826320 /nfs/dbraw/zinc/82/63/20/562826320.db2.gz DIHFXIVKEACNIW-UHFFFAOYSA-N 0 0 536.032 3.683 1 0 KHAFRN COc1ccc(-c2cc3c4cc(C(=O)N5CCN(C(=O)C6CC6)CC5)ccc4[nH]c3c(C(N)=O)c2)cc1F ZINC000113207787 562826375 /nfs/dbraw/zinc/82/63/75/562826375.db2.gz ZQFMEBSYLGEMEJ-UHFFFAOYSA-N 0 0 514.557 3.929 1 0 KHAFRN Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(C(=O)N(C)C)CC3)cnc2Nc2ccc3scnc3c2)n1 ZINC000113240329 562826406 /nfs/dbraw/zinc/82/64/06/562826406.db2.gz GHJKXCIYEIFGOO-OAHLLOKOSA-N 0 0 518.651 3.538 1 0 KHAFRN Cc1nc(N)nc(-c2cc([C@H](C)N3CCN(C(=O)N(C)C)CC3)cnc2Nc2ccc3scnc3c2)n1 ZINC000113240331 562826378 /nfs/dbraw/zinc/82/63/78/562826378.db2.gz GHJKXCIYEIFGOO-HNNXBMFYSA-N 0 0 518.651 3.538 1 0 KHAFRN COc1ncc(Nc2ncc([C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113240841 562826387 /nfs/dbraw/zinc/82/63/87/562826387.db2.gz QQVZMCVBFIOVCA-ZDUSSCGKSA-N 0 0 509.567 3.666 1 0 KHAFRN COc1ncc(Nc2ncc([C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113240843 562826424 /nfs/dbraw/zinc/82/64/24/562826424.db2.gz QQVZMCVBFIOVCA-CYBMUJFWSA-N 0 0 509.567 3.666 1 0 KHAFRN COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccccn4)CC3)nc12 ZINC000113276204 562826377 /nfs/dbraw/zinc/82/63/77/562826377.db2.gz RSUNKVROVYIJRB-UHFFFAOYSA-N 0 0 511.369 3.608 1 0 KHAFRN COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4cccnc4)CC3)nc12 ZINC000113276215 562826385 /nfs/dbraw/zinc/82/63/85/562826385.db2.gz JACNHUODHLHMPV-UHFFFAOYSA-N 0 0 511.369 3.608 1 0 KHAFRN COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccncc4)CC3)nc12 ZINC000113277745 562826423 /nfs/dbraw/zinc/82/64/23/562826423.db2.gz QTIJSLZPMRPYHB-UHFFFAOYSA-N 0 0 511.369 3.608 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)N5CCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000113527150 562826621 /nfs/dbraw/zinc/82/66/21/562826621.db2.gz JXPGGWJYNZMXNB-UHFFFAOYSA-N 0 0 531.665 3.725 1 0 KHAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C(N)=O)c4)c3)sc2C1 ZINC000113581380 562826628 /nfs/dbraw/zinc/82/66/28/562826628.db2.gz HDOZBLDTQJQWAP-OAQYLSRUSA-N 0 0 504.616 3.851 1 0 KHAFRN O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C[C@@H]2O ZINC000113637965 562826693 /nfs/dbraw/zinc/82/66/93/562826693.db2.gz GWDCJYAPKYWVQE-AZUAARDMSA-N 0 0 554.465 3.662 1 0 KHAFRN O=C1N(c2ccc(CC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1ccccc1Cl)C[C@@H]2O ZINC000113638108 562826676 /nfs/dbraw/zinc/82/66/76/562826676.db2.gz ODTUIVRBQVCXGM-PZJWPPBQSA-N 0 0 502.942 3.623 1 0 KHAFRN CS(=O)(=O)c1cccc(S(=O)(=O)NCCNC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)c1 ZINC000113664248 562826672 /nfs/dbraw/zinc/82/66/72/562826672.db2.gz SVAZTKQPABOGFE-UHFFFAOYSA-N 0 0 569.636 3.792 1 0 KHAFRN COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)[C@H]5CC[C@H](OC)CC5)C4)c3C2)cc1C(F)(F)F ZINC000113749876 562826737 /nfs/dbraw/zinc/82/67/37/562826737.db2.gz SANCQVDZPVZZRO-JENIJYKNSA-N 0 0 534.583 3.680 1 0 KHAFRN COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)[C@@H]5CCOC(C)(C)C5)C4)c3C2)cc1C(F)(F)F ZINC000113752169 562826717 /nfs/dbraw/zinc/82/67/17/562826717.db2.gz GNLLCBBYBWGFPY-SJORKVTESA-N 0 0 534.583 3.680 1 0 KHAFRN COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)[C@H]5CCOC(C)(C)C5)C4)c3C2)cc1C(F)(F)F ZINC000113752174 562826716 /nfs/dbraw/zinc/82/67/16/562826716.db2.gz GNLLCBBYBWGFPY-IRXDYDNUSA-N 0 0 534.583 3.680 1 0 KHAFRN COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)[C@H]5CC[C@@H](OC)CC5)C4)c3C2)cc1C(F)(F)F ZINC000113754186 562826735 /nfs/dbraw/zinc/82/67/35/562826735.db2.gz SANCQVDZPVZZRO-LNLFQRSKSA-N 0 0 534.583 3.680 1 0 KHAFRN Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3cncs3)c2)c(F)c1 ZINC000113763106 562826715 /nfs/dbraw/zinc/82/67/15/562826715.db2.gz NVNZQWHMFXIETA-GOSISDBHSA-N 0 0 516.664 3.620 1 0 KHAFRN Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3nccs3)c2)c(F)c1 ZINC000113764909 562826723 /nfs/dbraw/zinc/82/67/23/562826723.db2.gz JZRODQRFQKSNDQ-GOSISDBHSA-N 0 0 516.664 3.620 1 0 KHAFRN COc1ccc(-n2c(CCN3C(=O)c4cccc(Br)c4C3=O)nc3ccccc3c2=O)cc1 ZINC000113767496 562826747 /nfs/dbraw/zinc/82/67/47/562826747.db2.gz IHMURDCDXOXWMX-UHFFFAOYSA-N 0 0 504.340 3.996 1 0 KHAFRN C[C@H](CN1CCN(S(C)(=O)=O)CC1)NC(=O)c1cc(-c2nccs2)cc(-c2ccc(F)cc2Cl)c1 ZINC000113768780 562826741 /nfs/dbraw/zinc/82/67/41/562826741.db2.gz LHJWTUIRIBNNME-MRXNPFEDSA-N 0 0 537.082 3.965 1 0 KHAFRN COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC(F)(F)F)c4C3=O)nc3nc(C)ccc3c2=O)cc1 ZINC000113770714 562826742 /nfs/dbraw/zinc/82/67/42/562826742.db2.gz VWOSCNVUZSGCPU-UHFFFAOYSA-N 0 0 538.482 3.878 1 0 KHAFRN COn1c(=O)c2c(nc1N[C@H](C)c1ccc(Cl)cc1)CCN(C(=O)COc1ccc(Cl)cc1)C2 ZINC000113827588 562826771 /nfs/dbraw/zinc/82/67/71/562826771.db2.gz JAICWKJMHDECAE-OAHLLOKOSA-N 0 0 503.386 3.745 1 0 KHAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3C)CC2 ZINC000113829259 562826808 /nfs/dbraw/zinc/82/68/08/562826808.db2.gz RCWXKVVPAHXRSO-INIZCTEOSA-N 0 0 555.557 3.601 1 0 KHAFRN COn1c(=O)c2c(nc1N[C@H](c1ccc(Cl)cc1)C(C)C)CCN(C(=O)c1cc3ccccn3n1)C2 ZINC000113829310 562826787 /nfs/dbraw/zinc/82/67/87/562826787.db2.gz ZLKSDPRCMGVKDQ-QHCPKHFHSA-N 0 0 506.994 3.611 1 0 KHAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3occc3n1C)CC2 ZINC000113831134 562826792 /nfs/dbraw/zinc/82/67/92/562826792.db2.gz YCSGFSXXQNVBQD-AWEZNQCLSA-N 0 0 515.492 3.777 1 0 KHAFRN COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000113831910 562826797 /nfs/dbraw/zinc/82/67/97/562826797.db2.gz MXFUVWBKHNWQHI-DEOSSOPVSA-N 0 0 525.005 3.734 1 0 KHAFRN COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3C)CC2 ZINC000113832069 562826794 /nfs/dbraw/zinc/82/67/94/562826794.db2.gz QNUGGOIIAVMZKU-SANMLTNESA-N 0 0 550.059 3.872 1 0 KHAFRN C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)COc1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1 ZINC000113858979 562826882 /nfs/dbraw/zinc/82/68/82/562826882.db2.gz SRYZAQDJCDBTBA-INIZCTEOSA-N 0 0 516.429 3.885 1 0 KHAFRN C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(CC[NH+](C)C)C3=O ZINC000113859202 562826838 /nfs/dbraw/zinc/82/68/38/562826838.db2.gz DPMQHTABGLRCQK-LBPRGKRZSA-N 0 0 556.520 3.675 1 0 KHAFRN O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCC(=O)Nc2ccccc2-c2nnc1o2 ZINC000114227450 562827945 /nfs/dbraw/zinc/82/79/45/562827945.db2.gz SPUGCRWFPANOPP-QMHMSQFTSA-N 0 0 516.949 3.915 1 0 KHAFRN COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 ZINC000114346505 562828024 /nfs/dbraw/zinc/82/80/24/562828024.db2.gz OVWZZXGBBZJATH-UHFFFAOYSA-N 0 0 501.543 3.627 1 0 KHAFRN Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1-n1ncc2cc(N(C)C)ccc2c1=O ZINC000114435825 562828215 /nfs/dbraw/zinc/82/82/15/562828215.db2.gz HOTPGCYVRVQNGF-UHFFFAOYSA-N 0 0 591.672 3.737 1 0 KHAFRN CC(CO)(CO)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)cc2)no1 ZINC000114549462 562828350 /nfs/dbraw/zinc/82/83/50/562828350.db2.gz RWLXCDFZJDZLHX-UHFFFAOYSA-N 0 0 592.678 3.801 1 0 KHAFRN O=S(=O)(NCCCN1CCN(c2nsc3ccccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000114602035 562828400 /nfs/dbraw/zinc/82/84/00/562828400.db2.gz CBJLKVBQMMAZQJ-UHFFFAOYSA-N 0 0 500.568 3.686 1 0 KHAFRN C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)[nH]n2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172779 562828767 /nfs/dbraw/zinc/82/87/67/562828767.db2.gz SWLJZCQKYXTNFY-CQSZACIVSA-N 0 0 500.485 3.770 1 0 KHAFRN CCC(CC)Oc1ccc2nn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)c(=N)n2n1 ZINC000115491627 562828953 /nfs/dbraw/zinc/82/89/53/562828953.db2.gz HPSWHJDEAYKFLZ-UHFFFAOYSA-N 0 0 510.639 3.603 1 0 KHAFRN CCOC(=O)[C@@](C)(CC1CCN(S(C)(=O)=O)CC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000115655046 562829033 /nfs/dbraw/zinc/82/90/33/562829033.db2.gz SUUWVLAQBRQFNT-DEOSSOPVSA-N 0 0 505.040 3.932 1 0 KHAFRN CCOC(=O)[C@](C)(CC1CCN(S(C)(=O)=O)CC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000115655050 562829038 /nfs/dbraw/zinc/82/90/38/562829038.db2.gz SUUWVLAQBRQFNT-XMMPIXPASA-N 0 0 505.040 3.932 1 0 KHAFRN CC(C)(Nc1ccc(Cl)c(C(=O)NCC(N)=O)c1)C(=O)Nc1nc2c(s1)c1c[nH]nc1cc2C(F)(F)F ZINC000115722041 562829058 /nfs/dbraw/zinc/82/90/58/562829058.db2.gz UQHPGIWKYQJUIE-UHFFFAOYSA-N 0 0 553.954 3.889 1 0 KHAFRN CC(C)c1cc(-c2nn(COC(=O)[C@@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115807013 562829048 /nfs/dbraw/zinc/82/90/48/562829048.db2.gz ZEUIDAJZVWNTLS-DEOSSOPVSA-N 0 0 541.608 3.798 1 0 KHAFRN CC(C)c1cc(-c2nn(COC(=O)[C@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115807017 562829054 /nfs/dbraw/zinc/82/90/54/562829054.db2.gz ZEUIDAJZVWNTLS-XMMPIXPASA-N 0 0 541.608 3.798 1 0 KHAFRN CN1CCN(C(=O)n2nc(-c3cnc4ccc(F)cn34)c3ccc(C(=O)N4CCCCCC4)cc32)CC1 ZINC000115950892 562829067 /nfs/dbraw/zinc/82/90/67/562829067.db2.gz SZQAEQZORIFLTJ-UHFFFAOYSA-N 0 0 503.582 3.722 1 0 KHAFRN Cn1nc(Nc2cc(-c3cccc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)nn(C)c2=O)cc1C(C)(C)O ZINC000116054196 562829184 /nfs/dbraw/zinc/82/91/84/562829184.db2.gz PBLCXTUMLAMKLQ-UHFFFAOYSA-N 0 0 574.707 3.787 1 0 KHAFRN COc1nccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)n1 ZINC000116054665 562829231 /nfs/dbraw/zinc/82/92/31/562829231.db2.gz SKUZQYJVFRSJRE-UHFFFAOYSA-N 0 0 558.614 3.813 1 0 KHAFRN Cn1cc(-c2cccc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CCOCC3)cn2)c1=O ZINC000116054917 562829183 /nfs/dbraw/zinc/82/91/83/562829183.db2.gz ZKOJUMGOQCYDLQ-UHFFFAOYSA-N 0 0 580.689 3.861 1 0 KHAFRN CN1CC(Oc2ccc(Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)nc2)C1 ZINC000116056215 562829193 /nfs/dbraw/zinc/82/91/93/562829193.db2.gz KASIWISKVNBXCS-UHFFFAOYSA-N 0 0 598.679 3.856 1 0 KHAFRN CC1(C)CN(Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000116059120 562829211 /nfs/dbraw/zinc/82/92/11/562829211.db2.gz YSPLXBLCPIVGCZ-UCGGBYDDSA-N 0 0 517.633 3.940 1 0 KHAFRN COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c(OCC(=O)NCc2ccccc2)c1OC ZINC000116167276 562829251 /nfs/dbraw/zinc/82/92/51/562829251.db2.gz BUBCALVPRCXCJV-UHFFFAOYSA-N 0 0 505.354 3.765 1 0 KHAFRN Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NC[C@@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116238060 562829325 /nfs/dbraw/zinc/82/93/25/562829325.db2.gz QJAIWFQXMXEWND-OAQYLSRUSA-N 0 0 501.543 3.904 1 0 KHAFRN Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NC[C@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116238063 562829330 /nfs/dbraw/zinc/82/93/30/562829330.db2.gz QJAIWFQXMXEWND-NRFANRHFSA-N 0 0 501.543 3.904 1 0 KHAFRN Cc1ccc(F)c(NC(=O)c2cccc(Oc3ccnc(-c4cc(C(=O)NC[C@@H](O)CO)c[nH]4)c3)c2)c1 ZINC000116238067 562829321 /nfs/dbraw/zinc/82/93/21/562829321.db2.gz CJLTWPGVCPWCQN-LJQANCHMSA-N 0 0 504.518 3.652 1 0 KHAFRN Cc1ccc(F)c(NC(=O)c2cccc(Oc3ccnc(-c4cc(C(=O)NC[C@H](O)CO)c[nH]4)c3)c2)c1 ZINC000116238070 562829341 /nfs/dbraw/zinc/82/93/41/562829341.db2.gz CJLTWPGVCPWCQN-IBGZPJMESA-N 0 0 504.518 3.652 1 0 KHAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)NC[C@@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116238282 562829376 /nfs/dbraw/zinc/82/93/76/562829376.db2.gz IQGOAXWKSXBKRE-JOCHJYFZSA-N 0 0 604.639 3.940 1 0 KHAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)NC[C@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116238284 562829359 /nfs/dbraw/zinc/82/93/59/562829359.db2.gz IQGOAXWKSXBKRE-QFIPXVFZSA-N 0 0 604.639 3.940 1 0 KHAFRN CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 ZINC000116342130 562829398 /nfs/dbraw/zinc/82/93/98/562829398.db2.gz AUIFRJWXYUNPPV-QFIPXVFZSA-N 0 0 515.529 3.798 1 0 in-vitro KHAFRN CCS(=O)(=O)c1cc2cc(C[C@@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 ZINC000116342468 562829350 /nfs/dbraw/zinc/82/93/50/562829350.db2.gz AUIFRJWXYUNPPV-JOCHJYFZSA-N 0 0 515.529 3.798 1 0 KHAFRN COC(=O)N[C@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000116344475 562829385 /nfs/dbraw/zinc/82/93/85/562829385.db2.gz USTQEUSYKXURJE-LLVKDONJSA-N 0 0 538.005 3.732 1 0 KHAFRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N(C)CCO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116734578 562829469 /nfs/dbraw/zinc/82/94/69/562829469.db2.gz XAMMOTSIXKBLFO-OAHLLOKOSA-N 0 0 503.958 3.660 1 0 KHAFRN C[C@H](Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N(C)CCO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116734580 562829486 /nfs/dbraw/zinc/82/94/86/562829486.db2.gz XAMMOTSIXKBLFO-HNNXBMFYSA-N 0 0 503.958 3.660 1 0 KHAFRN COCCN(C)C(=O)c1cc2c(=O)cc(N3CCOCC3)oc2c([C@@H](C)Nc2cc(F)cc(F)c2)c1 ZINC000116734593 562829494 /nfs/dbraw/zinc/82/94/94/562829494.db2.gz IKOMEEOWOYEDAK-MRXNPFEDSA-N 0 0 501.530 3.799 1 0 KHAFRN COCCN(C)C(=O)c1cc2c(=O)cc(N3CCOCC3)oc2c([C@H](C)Nc2cc(F)cc(F)c2)c1 ZINC000116734595 562829493 /nfs/dbraw/zinc/82/94/93/562829493.db2.gz IKOMEEOWOYEDAK-INIZCTEOSA-N 0 0 501.530 3.799 1 0 KHAFRN C[C@@H](c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116734621 562829492 /nfs/dbraw/zinc/82/94/92/562829492.db2.gz UOZWDNWNBWHNIU-KRWDZBQOSA-N 0 0 527.568 3.702 1 0 KHAFRN C[C@H](c1cc(C(=O)N(C)CCO)cc2c(=O)cc(N3CCO[C@H](C)C3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116735411 562829516 /nfs/dbraw/zinc/82/95/16/562829516.db2.gz OFKUXVZPWTZPRW-IAGOWNOFSA-N 0 0 515.557 3.558 1 0 KHAFRN C[C@@H](c1cc(C(=O)N(C)CCO)cc2c(=O)cc(N3CCO[C@H](C)C3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116735413 562829524 /nfs/dbraw/zinc/82/95/24/562829524.db2.gz OFKUXVZPWTZPRW-SJORKVTESA-N 0 0 515.557 3.558 1 0 KHAFRN C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116737213 562829534 /nfs/dbraw/zinc/82/95/34/562829534.db2.gz VHMBIMDLAGQBLT-MRXNPFEDSA-N 0 0 513.541 3.678 1 0 KHAFRN C[C@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116737215 562829530 /nfs/dbraw/zinc/82/95/30/562829530.db2.gz VHMBIMDLAGQBLT-INIZCTEOSA-N 0 0 513.541 3.678 1 0 KHAFRN C[C@H](c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116737328 562829512 /nfs/dbraw/zinc/82/95/12/562829512.db2.gz UOZWDNWNBWHNIU-QGZVFWFLSA-N 0 0 527.568 3.702 1 0 KHAFRN C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCC[C@@H]2CO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116737440 562829533 /nfs/dbraw/zinc/82/95/33/562829533.db2.gz NTCLMZDHZZNGLK-IIBYNOLFSA-N 0 0 513.541 3.678 1 0 KHAFRN C[C@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCC[C@@H]2CO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116737443 562829499 /nfs/dbraw/zinc/82/94/99/562829499.db2.gz NTCLMZDHZZNGLK-HRAATJIYSA-N 0 0 513.541 3.678 1 0 KHAFRN C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCC[C@H]2CO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116737450 562829511 /nfs/dbraw/zinc/82/95/11/562829511.db2.gz NTCLMZDHZZNGLK-IERDGZPVSA-N 0 0 513.541 3.678 1 0 KHAFRN C[C@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCC[C@H]2CO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116737452 562829501 /nfs/dbraw/zinc/82/95/01/562829501.db2.gz NTCLMZDHZZNGLK-KKSFZXQISA-N 0 0 513.541 3.678 1 0 KHAFRN C[C@@H](Nc1cccc(Cl)c1F)c1cc(C(=O)N(C)CCO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116738053 562829517 /nfs/dbraw/zinc/82/95/17/562829517.db2.gz PDDBATPXQHBQEM-OAHLLOKOSA-N 0 0 503.958 3.660 1 0 KHAFRN C[C@H](Nc1cccc(Cl)c1F)c1cc(C(=O)N(C)CCO)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116738056 562829521 /nfs/dbraw/zinc/82/95/21/562829521.db2.gz PDDBATPXQHBQEM-HNNXBMFYSA-N 0 0 503.958 3.660 1 0 KHAFRN COCCCNC(=O)c1cc2c(=O)cc(N3CCOCC3)oc2c([C@@H](C)Nc2cc(F)cc(F)c2)c1 ZINC000116738556 562829506 /nfs/dbraw/zinc/82/95/06/562829506.db2.gz ODOGNFDAEDWNJW-MRXNPFEDSA-N 0 0 501.530 3.847 1 0 KHAFRN COCCCNC(=O)c1cc2c(=O)cc(N3CCOCC3)oc2c([C@H](C)Nc2cc(F)cc(F)c2)c1 ZINC000116738559 562829525 /nfs/dbraw/zinc/82/95/25/562829525.db2.gz ODOGNFDAEDWNJW-INIZCTEOSA-N 0 0 501.530 3.847 1 0 KHAFRN C[C@H](c1cc(C(=O)N2CCC[C@@H]2CO)cc2c(=O)cc(N3CCOCC3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116739077 562829507 /nfs/dbraw/zinc/82/95/07/562829507.db2.gz LOAJYJGRDKBMPO-DYESRHJHSA-N 0 0 527.568 3.702 1 0 KHAFRN C[C@@H](c1cc(C(=O)N2CCC[C@@H]2CO)cc2c(=O)cc(N3CCOCC3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116739079 562829515 /nfs/dbraw/zinc/82/95/15/562829515.db2.gz LOAJYJGRDKBMPO-LAUBAEHRSA-N 0 0 527.568 3.702 1 0 KHAFRN C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCCOCC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116739618 562829504 /nfs/dbraw/zinc/82/95/04/562829504.db2.gz KHBZCEQVEKSZJF-QGZVFWFLSA-N 0 0 513.541 3.943 1 0 KHAFRN C[C@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCCOCC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116739621 562829510 /nfs/dbraw/zinc/82/95/10/562829510.db2.gz KHBZCEQVEKSZJF-KRWDZBQOSA-N 0 0 513.541 3.943 1 0 KHAFRN NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F ZINC000116818775 562829567 /nfs/dbraw/zinc/82/95/67/562829567.db2.gz KQYTZJXGFPXBER-UHFFFAOYSA-N 0 0 592.337 3.636 1 0 KHAFRN C[C@H](CN1CCN(S(C)(=O)=O)CC1)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1 ZINC000116914473 562829607 /nfs/dbraw/zinc/82/96/07/562829607.db2.gz NUYNDULTVZLNCX-MRXNPFEDSA-N 0 0 537.082 3.965 1 0 KHAFRN CC(C)(C[C@@](O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O ZINC000116918171 562829582 /nfs/dbraw/zinc/82/95/82/562829582.db2.gz ZHDQJPLHDTXEKR-NRFANRHFSA-N 0 0 518.579 3.574 1 0 KHAFRN CC(C)(C[C@@](O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccc(Cl)cc1C(N)=O ZINC000116918432 562829580 /nfs/dbraw/zinc/82/95/80/562829580.db2.gz UAYXTLWPZTYJEV-NRFANRHFSA-N 0 0 517.957 3.923 1 0 KHAFRN CC(C)(C[C@](O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccc(Cl)cc1C(N)=O ZINC000116918434 562829598 /nfs/dbraw/zinc/82/95/98/562829598.db2.gz UAYXTLWPZTYJEV-OAQYLSRUSA-N 0 0 517.957 3.923 1 0 KHAFRN CC(C)(C[C@](O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O ZINC000116919194 562829595 /nfs/dbraw/zinc/82/95/95/562829595.db2.gz ZHDQJPLHDTXEKR-OAQYLSRUSA-N 0 0 518.579 3.574 1 0 KHAFRN CN(C)c1ccc2c(ccn(-c3cccc(-c4cc(Nc5ccc(C(=O)N6CCOCC6)cn5)c(=O)n(C)c4)c3CO)c2=O)c1 ZINC000116941537 562829606 /nfs/dbraw/zinc/82/96/06/562829606.db2.gz OLRVVVZNPYWNDA-UHFFFAOYSA-N 0 0 606.683 3.526 1 0 KHAFRN CN(C)c1cc(F)c2c(ccn(-c3cccc(-c4cc(Nc5ccc(C(=O)N6CCOCC6)cn5)c(=O)n(C)c4)c3CO)c2=O)c1 ZINC000116946601 562829633 /nfs/dbraw/zinc/82/96/33/562829633.db2.gz PCVMXQPADBQRFE-UHFFFAOYSA-N 0 0 624.673 3.665 1 0 in-vitro KHAFRN CCOc1ccc(Cc2cc([C@]34OC[C@](COC(C)=O)(O3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)ccc2Cl)cc1 ZINC000117045192 562829634 /nfs/dbraw/zinc/82/96/34/562829634.db2.gz LFZVLROKLDGLRV-KTBGKDHWSA-N 0 0 605.036 3.640 1 0 KHAFRN CC(C)(C)c1ccc(S(=O)(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc43)n2)cc1 ZINC000117047117 562829645 /nfs/dbraw/zinc/82/96/45/562829645.db2.gz JVXNFDBKNABZGK-UHFFFAOYSA-N 0 0 505.604 3.759 1 0 KHAFRN Cc1ccn(-c2ccc(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c(Cl)c2)n1 ZINC000117107205 562829624 /nfs/dbraw/zinc/82/96/24/562829624.db2.gz TVEDJVZMZSLJMJ-UHFFFAOYSA-N 0 0 616.169 3.817 1 0 KHAFRN CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 ZINC000117107956 562829643 /nfs/dbraw/zinc/82/96/43/562829643.db2.gz LWQMVQKPXBEQRF-UHFFFAOYSA-N 0 0 559.073 3.965 1 0 KHAFRN CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 ZINC000117109698 562829622 /nfs/dbraw/zinc/82/96/22/562829622.db2.gz NPGLKIRLOYBSPD-UHFFFAOYSA-N 0 0 602.142 3.509 1 0 KHAFRN CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cccc(-n5cccn5)c4Cl)sc3c2)CC1 ZINC000117111383 562829649 /nfs/dbraw/zinc/82/96/49/562829649.db2.gz UFRCVDBDVLJZBI-UHFFFAOYSA-N 0 0 602.142 3.509 1 0 KHAFRN CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 ZINC000117113367 562829620 /nfs/dbraw/zinc/82/96/20/562829620.db2.gz SMSFBMPGJBKNCF-UHFFFAOYSA-N 0 0 605.186 3.923 1 0 KHAFRN Cc1ccn(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c2)n1 ZINC000117113547 562829708 /nfs/dbraw/zinc/82/97/08/562829708.db2.gz TUWISNXKXZRRGA-UHFFFAOYSA-N 0 0 616.169 3.817 1 0 KHAFRN CC(=O)OCC(=O)N1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117687204 562829821 /nfs/dbraw/zinc/82/98/21/562829821.db2.gz RZZYZYZKMBHXEB-UHFFFAOYSA-N 0 0 532.580 3.584 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nn3)nc2n1C1CCCC1 ZINC000117717549 562829812 /nfs/dbraw/zinc/82/98/12/562829812.db2.gz BMBFWSJTQOPTEI-UHFFFAOYSA-N 0 0 535.653 3.839 1 0 KHAFRN CCc1nn(Cc2cccc(OCCN3CC[NH+](C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117827034 562829838 /nfs/dbraw/zinc/82/98/38/562829838.db2.gz VKJMREAAUAJFPB-UHFFFAOYSA-N 0 0 538.656 3.568 1 0 KHAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117874749 562829855 /nfs/dbraw/zinc/82/98/55/562829855.db2.gz MTMQYQXOCXQCHZ-UHFFFAOYSA-N 0 0 552.683 3.877 1 0 KHAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CCN(C)CC5)ccn43)c12 ZINC000117884574 562829966 /nfs/dbraw/zinc/82/99/66/562829966.db2.gz LICBRMUQOJOBQX-UHFFFAOYSA-N 0 0 536.640 3.638 1 0 KHAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCOCC5)ccn43)c12 ZINC000117894837 562830006 /nfs/dbraw/zinc/83/00/06/562830006.db2.gz ULWIAWOTDYHSPR-UHFFFAOYSA-N 0 0 539.640 3.961 1 0 KHAFRN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCOCCO)ccn32)n1 ZINC000117895624 562830031 /nfs/dbraw/zinc/83/00/31/562830031.db2.gz BHFTXSHRWAYEKY-UHFFFAOYSA-N 0 0 526.597 3.953 1 0 KHAFRN Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21 ZINC000118091745 562830108 /nfs/dbraw/zinc/83/01/08/562830108.db2.gz ZXGDOKABBOXISR-UHFFFAOYSA-N 0 0 505.575 3.901 1 0 KHAFRN Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21 ZINC000118092919 562830110 /nfs/dbraw/zinc/83/01/10/562830110.db2.gz VOOODUVNTOWYMI-UHFFFAOYSA-N 0 0 505.575 3.901 1 0 KHAFRN Cc1c(N2CCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118093009 562830125 /nfs/dbraw/zinc/83/01/25/562830125.db2.gz RCGOGBCYAJWBSU-UHFFFAOYSA-N 0 0 521.568 3.990 1 0 KHAFRN CC[C@@H](C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)OC ZINC000118521566 562830291 /nfs/dbraw/zinc/83/02/91/562830291.db2.gz IITBHWRTPLHBCF-HOYKHHGWSA-N 0 0 549.093 3.511 1 0 KHAFRN CC[C@H](C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)OC ZINC000118521569 562830314 /nfs/dbraw/zinc/83/03/14/562830314.db2.gz IITBHWRTPLHBCF-MHECFPHRSA-N 0 0 549.093 3.511 1 0 KHAFRN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)OC ZINC000118521573 562830292 /nfs/dbraw/zinc/83/02/92/562830292.db2.gz IITBHWRTPLHBCF-KOSHJBKYSA-N 0 0 549.093 3.511 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)OC ZINC000118521576 562830309 /nfs/dbraw/zinc/83/03/09/562830309.db2.gz IITBHWRTPLHBCF-UUOWRZLLSA-N 0 0 549.093 3.511 1 0 KHAFRN CCOC(=O)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(C)C ZINC000118523415 562830334 /nfs/dbraw/zinc/83/03/34/562830334.db2.gz GLHINSQQSWOQLS-DEOSSOPVSA-N 0 0 549.093 3.511 1 0 KHAFRN CCOC(=O)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(C)C ZINC000118523416 562830335 /nfs/dbraw/zinc/83/03/35/562830335.db2.gz GLHINSQQSWOQLS-XMMPIXPASA-N 0 0 549.093 3.511 1 0 KHAFRN CCOC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118533562 562830317 /nfs/dbraw/zinc/83/03/17/562830317.db2.gz PMHMHVOLZUCGNO-XMMPIXPASA-N 0 0 563.120 3.901 1 0 KHAFRN CCOC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118533563 562830330 /nfs/dbraw/zinc/83/03/30/562830330.db2.gz PMHMHVOLZUCGNO-DEOSSOPVSA-N 0 0 563.120 3.901 1 0 KHAFRN COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C(=O)NCCC[NH+](C)C)c2)cc(OC)c1 ZINC000118586207 562830352 /nfs/dbraw/zinc/83/03/52/562830352.db2.gz HHHMVWCJYGXSMK-UHFFFAOYSA-N 0 0 564.668 3.873 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCC[C@@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118586555 562830370 /nfs/dbraw/zinc/83/03/70/562830370.db2.gz SWMRYZWSHCYJGG-OAQYLSRUSA-N 0 0 502.623 3.588 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCC[C@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118586556 562830373 /nfs/dbraw/zinc/83/03/73/562830373.db2.gz SWMRYZWSHCYJGG-NRFANRHFSA-N 0 0 502.623 3.588 1 0 KHAFRN CC(=O)N1[C@@H]2CC[C@H]1CN(c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C(=O)C2 ZINC000118587008 562830402 /nfs/dbraw/zinc/83/04/02/562830402.db2.gz IKEVOTQKDVGATP-IRLDBZIGSA-N 0 0 530.633 3.503 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C(=O)CN5CCC4CC5)cn3)nc2n1C1CCCCCC1 ZINC000118597239 562830430 /nfs/dbraw/zinc/83/04/30/562830430.db2.gz DSCMBIMDDPKUCE-UHFFFAOYSA-N 0 0 516.650 3.978 1 0 KHAFRN CC(C)(NC(=O)N1CCCOCC1)C(=O)Nc1nc(C(F)(F)F)c(C(=O)c2ccc(F)cc2)s1 ZINC000118627946 562830482 /nfs/dbraw/zinc/83/04/82/562830482.db2.gz XSJPAMAHIGJOCO-UHFFFAOYSA-N 0 0 502.490 3.681 1 0 KHAFRN CCCc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(S(C)(=O)=O)cc4)cc3Cl)CC2)nc1 ZINC000118659425 562830479 /nfs/dbraw/zinc/83/04/79/562830479.db2.gz MOFABLNTDPJUES-UHFFFAOYSA-N 0 0 503.024 3.685 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCC[C@@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118730557 562830521 /nfs/dbraw/zinc/83/05/21/562830521.db2.gz XGEJQZNPNALCEX-JOCHJYFZSA-N 0 0 516.650 3.978 1 0 KHAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCC[C@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118730559 562830532 /nfs/dbraw/zinc/83/05/32/562830532.db2.gz XGEJQZNPNALCEX-QFIPXVFZSA-N 0 0 516.650 3.978 1 0 KHAFRN C[C@@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921637 581094900 /nfs/dbraw/zinc/09/49/00/581094900.db2.gz PPVXMKZCXKRWAJ-YXHHNYDXSA-N 0 0 554.779 3.531 1 0 KHAFRN C[C@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921638 581094895 /nfs/dbraw/zinc/09/48/95/581094895.db2.gz PPVXMKZCXKRWAJ-MRYRLASCSA-N 0 0 554.779 3.531 1 0 KHAFRN C[C@@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921639 581094855 /nfs/dbraw/zinc/09/48/55/581094855.db2.gz PPVXMKZCXKRWAJ-QYGJNTCLSA-N 0 0 554.779 3.531 1 0 KHAFRN C[C@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921640 581094949 /nfs/dbraw/zinc/09/49/49/581094949.db2.gz PPVXMKZCXKRWAJ-JEZZUZGPSA-N 0 0 554.779 3.531 1 0 KHAFRN CC(=O)O[C@@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@](C)(O)[C@H](O)C[C@H]5COC(=O)[C@@H]5C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937072 571846572 /nfs/dbraw/zinc/84/65/72/571846572.db2.gz ODRFODNLKCBNIK-GQVBXKGTSA-N 0 0 518.691 3.779 1 0 endogenous,in-man KHAFRN CC(=O)O[C@@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@](C)(O)[C@H](O)C[C@H]5COC(=O)[C@H]5C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937073 571846684 /nfs/dbraw/zinc/84/66/84/571846684.db2.gz ODRFODNLKCBNIK-OXHRDQJWSA-N 0 0 518.691 3.779 1 0 endogenous,in-man KHAFRN CC(=O)O[C@@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@](C)(O)[C@H](O)C[C@@H]5COC(=O)[C@@H]5C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937074 571847063 /nfs/dbraw/zinc/84/70/63/571847063.db2.gz ODRFODNLKCBNIK-ZMXKIVDKSA-N 0 0 518.691 3.779 1 0 endogenous,in-man KHAFRN CC(=O)O[C@@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@](C)(O)[C@H](O)C[C@@H]5COC(=O)[C@H]5C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937075 571847049 /nfs/dbraw/zinc/84/70/49/571847049.db2.gz ODRFODNLKCBNIK-NZWVADCWSA-N 0 0 518.691 3.779 1 0 endogenous,in-man KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2CCCC/C=C/COc3c(O)cccc3C(=O)N2)cc1 ZINC000135907240 581100296 /nfs/dbraw/zinc/10/02/96/581100296.db2.gz VLCHKLWDNXNIPB-ZVJVYYHESA-N 0 0 546.686 3.716 1 0 KHAFRN NC(=[NH2+])c1ccc2oc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2c1 ZINC000136554074 562831193 /nfs/dbraw/zinc/83/11/93/562831193.db2.gz JGHDTJHHRBLCCP-DHIUTWEWSA-N 0 0 510.550 3.616 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Br)cc1 ZINC000136803028 562831240 /nfs/dbraw/zinc/83/12/40/562831240.db2.gz DUUVKPMROQUTCS-DXIQSLLYSA-N 0 0 513.388 3.538 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000136821686 562831262 /nfs/dbraw/zinc/83/12/62/562831262.db2.gz FOBRVMHYTDWMJG-VABKMULXSA-N 0 0 565.589 3.660 1 0 KHAFRN COc1ccc2nccc([C@@H](O)CN3CC[C@@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000136864413 562831274 /nfs/dbraw/zinc/83/12/74/562831274.db2.gz WJAKHOJSUXKJOB-DWLFOUALSA-N 0 0 532.041 3.572 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccccc1 ZINC000137113519 562831368 /nfs/dbraw/zinc/83/13/68/562831368.db2.gz MRMDMJWTKTVMPI-KCHLEUMXSA-N 0 0 557.691 3.663 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCc2ccccc21 ZINC000137227963 562831403 /nfs/dbraw/zinc/83/14/03/562831403.db2.gz YVMYGKAQQWIQNK-UIOOFZCWSA-N 0 0 550.700 3.751 1 0 KHAFRN COc1ncc(-n2ncc3c2cccc3NC[C@H](C)NS(=O)(=O)c2c(C)nn(C3CCCC3)c2C)cn1 ZINC000137422124 562831479 /nfs/dbraw/zinc/83/14/79/562831479.db2.gz DUPKBDGJOZGDOR-INIZCTEOSA-N 0 0 524.651 3.531 1 0 KHAFRN CC(C)[C@@H]1C[C@H](O)[C@H](C)C[C@H](C)C[C@H](C)C(=O)NCC(=O)N(C)[C@H](Cc2ccc(O)c(I)c2)C(=O)O1 ZINC000137463334 562831473 /nfs/dbraw/zinc/83/14/73/562831473.db2.gz AGOHOFZYIJTTKY-IMROQKSMSA-N 0 0 616.537 3.503 1 0 KHAFRN C=CC(=O)N(C)c1cc2c(cc1OCCNC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137823520 562831546 /nfs/dbraw/zinc/83/15/46/562831546.db2.gz LQZIDSSLBIXXRD-UHFFFAOYSA-N 0 0 502.344 3.939 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OC[C@@H]1CNC(=O)O1)ncnc2Nc1ccc(Br)cc1F ZINC000137838996 562831552 /nfs/dbraw/zinc/83/15/52/562831552.db2.gz PJTNXYFSQNXMMA-LBPRGKRZSA-N 0 0 502.300 3.887 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OC[C@H]1CNC(=O)O1)ncnc2Nc1ccc(Br)cc1F ZINC000137839097 562831534 /nfs/dbraw/zinc/83/15/34/562831534.db2.gz PJTNXYFSQNXMMA-GFCCVEGCSA-N 0 0 502.300 3.887 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N1CCOCC1)ncnc2Nc1ccc(Br)cc1F ZINC000137839320 562831535 /nfs/dbraw/zinc/83/15/35/562831535.db2.gz MASSBJVLAZTBSY-UHFFFAOYSA-N 0 0 559.396 3.820 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N1CCN(C(C)=O)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137839556 562831537 /nfs/dbraw/zinc/83/15/37/562831537.db2.gz XMXFPUFSKWPYBL-UHFFFAOYSA-N 0 0 600.449 3.652 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N1CCN(C)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137847245 562831561 /nfs/dbraw/zinc/83/15/61/562831561.db2.gz SPELKVATJBMWHZ-UHFFFAOYSA-N 0 0 572.439 3.735 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=S)NC)ncnc2Nc1ccc(Br)cc1F ZINC000137891051 562831636 /nfs/dbraw/zinc/83/16/36/562831636.db2.gz NCWOITZVEWWDCD-UHFFFAOYSA-N 0 0 519.400 3.872 1 0 KHAFRN CC1(C)OC[C@H](C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 ZINC000137896167 562831617 /nfs/dbraw/zinc/83/16/17/562831617.db2.gz GPQULZGUYNODGJ-BEFAXECRSA-N 0 0 519.494 3.909 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)COC)ncnc2Nc1ccc(Br)cc1F ZINC000137904397 562831693 /nfs/dbraw/zinc/83/16/93/562831693.db2.gz COTCOYMOTSGNJY-UHFFFAOYSA-N 0 0 518.343 3.541 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCOC)ncnc2Nc1ccc(Br)cc1F ZINC000137926961 562831689 /nfs/dbraw/zinc/83/16/89/562831689.db2.gz MHPAMQNXZMJMLZ-UHFFFAOYSA-N 0 0 532.370 3.931 1 0 KHAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H]([C@H](O)[C@@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1cccnc1)C(C)(C)O3 ZINC000137976960 562831725 /nfs/dbraw/zinc/83/17/25/562831725.db2.gz BZILJPGAOXCMJH-IDOIOWBISA-N 0 0 537.609 3.740 1 0 KHAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCc2ccccc21 ZINC000138146079 562831758 /nfs/dbraw/zinc/83/17/58/562831758.db2.gz YVMYGKAQQWIQNK-FTJBHMTQSA-N 0 0 550.700 3.751 1 0 KHAFRN CCOC(=O)C1=C(CN2CCOCC2)NC(c2c(F)cc(F)cc2N2CCOCC2)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138173557 562831734 /nfs/dbraw/zinc/83/17/34/562831734.db2.gz WKVPEDYPPPHTQH-AREMUKBSSA-N 0 0 579.019 3.834 1 0 KHAFRN CCOC(=O)C1=C(CN2CCOCC2)NC(c2c(F)cc(F)cc2N2CCOCC2)=N[C@H]1c1ccc(F)cc1Cl ZINC000138173657 562831770 /nfs/dbraw/zinc/83/17/70/562831770.db2.gz WKVPEDYPPPHTQH-SANMLTNESA-N 0 0 579.019 3.834 1 0 KHAFRN COc1ccc(CC2CC[NH+](C)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000138220175 562831778 /nfs/dbraw/zinc/83/17/78/562831778.db2.gz YSVFFRLLLRZCQS-UHFFFAOYSA-N 0 0 521.647 3.801 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cccc2ccccc21 ZINC000138321962 562831807 /nfs/dbraw/zinc/83/18/07/562831807.db2.gz ODDXFSGPQQWPEO-QKDODKLFSA-N 0 0 547.652 3.794 1 0 KHAFRN Cc1csc([C@H]2CCCN2C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)[C@@H]3NCCN(CC(C)C)C3=O)c2)n1 ZINC000138342874 562831808 /nfs/dbraw/zinc/83/18/08/562831808.db2.gz WWXOTKXDYPYKEZ-CRNKYVSFSA-N 0 0 603.789 3.587 1 0 KHAFRN COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000138460356 562831952 /nfs/dbraw/zinc/83/19/52/562831952.db2.gz QICRPLPIAWYXAW-UHFFFAOYSA-N 0 0 507.616 3.779 1 0 KHAFRN COc1cc(C[C@@H](O)CO)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138495904 562832007 /nfs/dbraw/zinc/83/20/07/562832007.db2.gz WGUZGXYTXNBANE-OAHLLOKOSA-N 0 0 504.465 3.521 1 0 KHAFRN COc1cc(C[C@H](O)CO)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138504236 562831975 /nfs/dbraw/zinc/83/19/75/562831975.db2.gz WGUZGXYTXNBANE-HNNXBMFYSA-N 0 0 504.465 3.521 1 0 KHAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(O)(c4ccccc4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138630847 562832084 /nfs/dbraw/zinc/83/20/84/562832084.db2.gz BGYWFSIOPIGLNT-NRFANRHFSA-N 0 0 541.652 3.906 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1)S(=O)(=O)c1ccc(N)cc1 ZINC000138714779 562832152 /nfs/dbraw/zinc/83/21/52/562832152.db2.gz NIQQXGQUHFDUNP-YTMVLYRLSA-N 0 0 601.814 3.727 1 0 KHAFRN COc1ccc(-c2ccc3c(n2)nc(-n2cc(Br)nc2C)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138735866 562832168 /nfs/dbraw/zinc/83/21/68/562832168.db2.gz DVFIDUCGBKFVES-AWEZNQCLSA-N 0 0 525.407 3.674 1 0 KHAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCO[C@H](c4ccccc4)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138736646 562832171 /nfs/dbraw/zinc/83/21/71/562832171.db2.gz NDXQABGAKWDHJA-DCFHFQCYSA-N 0 0 527.625 3.996 1 0 KHAFRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2C)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1O ZINC000138755486 562832138 /nfs/dbraw/zinc/83/21/38/562832138.db2.gz BQTNMTPSQXOGPM-SMCANUKXSA-N 0 0 638.831 3.927 1 0 KHAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000138771213 562832147 /nfs/dbraw/zinc/83/21/47/562832147.db2.gz NRYJQWJSMMVVFJ-QKDODKLFSA-N 0 0 547.652 3.794 1 0 KHAFRN COC(=O)N[C@H](C(=O)NCCCC[C@H](C(N)=O)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000138824689 562832212 /nfs/dbraw/zinc/83/22/12/562832212.db2.gz MHWPVVNPUFZBSG-DGPALRBDSA-N 0 0 637.803 3.613 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCCC3)nc2N)cc1I ZINC000139187819 562832368 /nfs/dbraw/zinc/83/23/68/562832368.db2.gz PROWDJZBCOKMHQ-UHFFFAOYSA-N 0 0 511.364 3.622 1 0 KHAFRN CCC(CC)[C@@H]1C(C(=O)c2ccc(C(=O)N(C)C)cc2)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267527 562832377 /nfs/dbraw/zinc/83/23/77/562832377.db2.gz NFBAEMGMHRZVNJ-DHIUTWEWSA-N 0 0 502.571 3.966 1 0 KHAFRN CCC(CC)[C@H]1C(C(=O)c2ccc(C(=O)N(C)C)cc2)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267599 562832373 /nfs/dbraw/zinc/83/23/73/562832373.db2.gz NFBAEMGMHRZVNJ-PKTZIBPZSA-N 0 0 502.571 3.966 1 0 KHAFRN CCC(CC)[C@@H]1C(C(=O)c2ccc(C(=O)N(C)C)cc2)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267677 562832410 /nfs/dbraw/zinc/83/24/10/562832410.db2.gz NFBAEMGMHRZVNJ-XZOQPEGZSA-N 0 0 502.571 3.966 1 0 KHAFRN CCC(CC)[C@H]1C(C(=O)c2ccc(C(=O)N(C)C)cc2)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267774 562832431 /nfs/dbraw/zinc/83/24/31/562832431.db2.gz NFBAEMGMHRZVNJ-GOTSBHOMSA-N 0 0 502.571 3.966 1 0 KHAFRN CC(C)C[C@H]([NH2+]CCc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1)C(=O)[O-] ZINC000139275900 562832434 /nfs/dbraw/zinc/83/24/34/562832434.db2.gz DBGLCDSDGYRLSD-NRFANRHFSA-N 0 0 519.495 3.839 1 0 KHAFRN CC(C)C(=O)NCc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F ZINC000139390059 562832479 /nfs/dbraw/zinc/83/24/79/562832479.db2.gz KYHWEFVVYRGBGA-OALUTQOASA-N 0 0 522.625 3.553 1 0 KHAFRN CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC[NH2+]CCO)s1 ZINC000139443566 562832477 /nfs/dbraw/zinc/83/24/77/562832477.db2.gz JXXAIIICWMYJLO-HIKRULHHSA-N 0 0 515.598 3.747 1 0 KHAFRN CCN(CC)C(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1 ZINC000139456883 562832501 /nfs/dbraw/zinc/83/25/01/562832501.db2.gz LHPGQWCRLHONSN-PMACEKPBSA-N 0 0 504.635 3.624 1 0 KHAFRN CN1CCN(c2ncc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)cn2)CC1 ZINC000139536476 562832585 /nfs/dbraw/zinc/83/25/85/562832585.db2.gz ZHYANUGGYRLICR-UHFFFAOYSA-N 0 0 510.524 3.894 1 0 KHAFRN C[C@H]1COCCN1c1nc2nc(-c3cccc(CNC(=O)C4CCC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139574810 562832667 /nfs/dbraw/zinc/83/26/67/562832667.db2.gz AFNBVNVFQQHFDE-PMACEKPBSA-N 0 0 516.646 3.558 1 0 KHAFRN CC(C)N(C)C(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1 ZINC000139595284 562832646 /nfs/dbraw/zinc/83/26/46/562832646.db2.gz WKFAANWVZLIBKP-PMACEKPBSA-N 0 0 504.635 3.622 1 0 KHAFRN CN(C)c1ccc2c(c1)CCN(c1cc(F)cc(-c3cc(Nc4ccc(N5CCOCC5)cn4)c(=O)n(C)c3)c1CO)C2=O ZINC000139644007 562832688 /nfs/dbraw/zinc/83/26/88/562832688.db2.gz GAULSHKESBIJJT-UHFFFAOYSA-N 0 0 598.679 3.928 1 0 KHAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCO[C@@H](c4ccccc4)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000139657405 562832720 /nfs/dbraw/zinc/83/27/20/562832720.db2.gz NDXQABGAKWDHJA-CCLHPLFOSA-N 0 0 527.625 3.996 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3C[C@@H](C)O[C@@H](C)C3)nc2N)cc1I ZINC000139751465 562832738 /nfs/dbraw/zinc/83/27/38/562832738.db2.gz MEFGZTQOSIHJKN-OKILXGFUSA-N 0 0 555.417 3.635 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)nc2N)cc1I ZINC000139751580 562832749 /nfs/dbraw/zinc/83/27/49/562832749.db2.gz MEFGZTQOSIHJKN-KBPBESRZSA-N 0 0 555.417 3.635 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)nc2N)cc1I ZINC000139751672 562832759 /nfs/dbraw/zinc/83/27/59/562832759.db2.gz MEFGZTQOSIHJKN-ZIAGYGMSSA-N 0 0 555.417 3.635 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[NH2+]CC3CC3)nc2N)cc1I ZINC000139800813 562832781 /nfs/dbraw/zinc/83/27/81/562832781.db2.gz PPLUYKSOFPQZMK-UHFFFAOYSA-N 0 0 511.364 3.526 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[NH2+]C(C)(C)C)nc2N)cc1I ZINC000139800949 562832786 /nfs/dbraw/zinc/83/27/86/562832786.db2.gz ZKBMRXRYMJUYEY-UHFFFAOYSA-N 0 0 513.380 3.914 1 0 KHAFRN Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC000140233955 562832981 /nfs/dbraw/zinc/83/29/81/562832981.db2.gz GQRWEJRYCBEXLY-UHFFFAOYSA-N 0 0 509.463 3.958 1 0 KHAFRN CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 ZINC000140265482 562832975 /nfs/dbraw/zinc/83/29/75/562832975.db2.gz QYTYCLFCXDNBPJ-UHFFFAOYSA-N 0 0 507.034 3.730 1 0 KHAFRN COC(=O)[C@@H]1CCN(c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C(F)(F)F)C[C@H]3C)c2)C1 ZINC000140499887 562833098 /nfs/dbraw/zinc/83/30/98/562833098.db2.gz WIAOEHXPHMNOKO-IAGOWNOFSA-N 0 0 529.556 3.743 1 0 KHAFRN COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC1(OC(=O)CN)CC(F)(F)C1 ZINC000140534072 562833108 /nfs/dbraw/zinc/83/31/08/562833108.db2.gz SGFCFMXYVFAHNE-UHFFFAOYSA-N 0 0 544.942 3.863 1 0 KHAFRN CC(=[NH2+])N1CCC(Oc2ccc3cc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000141084467 562833496 /nfs/dbraw/zinc/83/34/96/562833496.db2.gz QQDPCXQBUIPYIA-AREMUKBSSA-N 0 0 598.660 3.625 1 0 KHAFRN COc1ccccc1Cc1c2c(nn1C)CCc1cnc(Nc3cnn(C4CCN(C(C)=O)CC4)c3)nc1-2 ZINC000141177917 562833507 /nfs/dbraw/zinc/83/35/07/562833507.db2.gz DYUYTWPLWUYRHY-UHFFFAOYSA-N 0 0 512.618 3.699 1 0 KHAFRN CCOc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000141179295 562833510 /nfs/dbraw/zinc/83/35/10/562833510.db2.gz VJBVNHFQAIJUJA-UHFFFAOYSA-N 0 0 523.641 3.753 1 0 KHAFRN COc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000141191969 562833577 /nfs/dbraw/zinc/83/35/77/562833577.db2.gz VRBYSNUSZJCSIC-UHFFFAOYSA-N 0 0 509.614 3.747 1 0 KHAFRN C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(CNC(=O)C4CCC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000141941836 562833860 /nfs/dbraw/zinc/83/38/60/562833860.db2.gz MNIPKMCFODRXAP-OALUTQOASA-N 0 0 534.636 3.697 1 0 KHAFRN COc1ncc(C(=O)NC2(C(=O)N[C@@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cnc43)CC2)cn1 ZINC000142223895 562834028 /nfs/dbraw/zinc/83/40/28/562834028.db2.gz SNCVXRFWMPIJGT-HXUWFJFHSA-N 0 0 563.977 3.764 1 0 KHAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cnc43)CC2)cn1 ZINC000142224123 562834029 /nfs/dbraw/zinc/83/40/29/562834029.db2.gz SNCVXRFWMPIJGT-FQEVSTJZSA-N 0 0 563.977 3.764 1 0 KHAFRN COc1ncc(C(=O)NC2(C(=O)N[C@@H]3COc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)cn1 ZINC000142225262 562834009 /nfs/dbraw/zinc/83/40/09/562834009.db2.gz WGIMYCFLPCKLAB-HXUWFJFHSA-N 0 0 564.961 3.815 1 0 KHAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H]3COc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)cn1 ZINC000142225478 562834046 /nfs/dbraw/zinc/83/40/46/562834046.db2.gz WGIMYCFLPCKLAB-FQEVSTJZSA-N 0 0 564.961 3.815 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3NC(=O)C2(NC(=O)c3ccnnc3)CC2)no1 ZINC000142234258 562834047 /nfs/dbraw/zinc/83/40/47/562834047.db2.gz VKQZQIDNZZTHCQ-HXUWFJFHSA-N 0 0 533.951 3.756 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3ccnnc3)CC2)no1 ZINC000142234519 562834072 /nfs/dbraw/zinc/83/40/72/562834072.db2.gz VKQZQIDNZZTHCQ-FQEVSTJZSA-N 0 0 533.951 3.756 1 0 KHAFRN Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SC[C@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)n1 ZINC000142234741 562834084 /nfs/dbraw/zinc/83/40/84/562834084.db2.gz LXQWSJLJIHTFOW-QGZVFWFLSA-N 0 0 539.980 3.550 1 0 KHAFRN Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SC[C@@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)n1 ZINC000142234937 562834055 /nfs/dbraw/zinc/83/40/55/562834055.db2.gz LXQWSJLJIHTFOW-KRWDZBQOSA-N 0 0 539.980 3.550 1 0 KHAFRN CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3F)nc21 ZINC000142240579 562834058 /nfs/dbraw/zinc/83/40/58/562834058.db2.gz NVOZOBFMWRZFHB-UHFFFAOYSA-N 0 0 503.586 3.926 1 0 KHAFRN COc1cc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)COC2)on1 ZINC000142248981 562834067 /nfs/dbraw/zinc/83/40/67/562834067.db2.gz RYMCKAQYHQAPMB-FQEVSTJZSA-N 0 0 567.961 3.804 1 0 KHAFRN COc1cc(C(=O)NC2(C(=O)N[C@@H]3CSc4cc(-c5cc(Cl)cc(F)c5-c5nnn(C)n5)ccc43)CC2)on1 ZINC000142250452 562834124 /nfs/dbraw/zinc/83/41/24/562834124.db2.gz HOONOQPHTXFQCK-QGZVFWFLSA-N 0 0 570.006 3.559 1 0 KHAFRN COc1cc(C(=O)NC2(C(=O)N[C@H]3CSc4cc(-c5cc(Cl)cc(F)c5-c5nnn(C)n5)ccc43)CC2)on1 ZINC000142250662 562834101 /nfs/dbraw/zinc/83/41/01/562834101.db2.gz HOONOQPHTXFQCK-KRWDZBQOSA-N 0 0 570.006 3.559 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)no1 ZINC000142263408 562834105 /nfs/dbraw/zinc/83/41/05/562834105.db2.gz OFBIENNCBQWFEJ-GOSISDBHSA-N 0 0 522.924 3.954 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)no1 ZINC000142263629 562834092 /nfs/dbraw/zinc/83/40/92/562834092.db2.gz OFBIENNCBQWFEJ-SFHVURJKSA-N 0 0 522.924 3.954 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3cncnc3)COC2)no1 ZINC000142263855 562834093 /nfs/dbraw/zinc/83/40/93/562834093.db2.gz FNLYZFQVRYPOPT-QFIPXVFZSA-N 0 0 548.962 3.597 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN1CC=CC1)ncnc2Nc1ccc(Br)cc1F ZINC000142277350 562834122 /nfs/dbraw/zinc/83/41/22/562834122.db2.gz QWIUMUFIKLQVQM-UHFFFAOYSA-N 0 0 555.408 3.766 1 0 KHAFRN COc1cc(C(=O)NC2(C(=O)N[C@@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cnc43)CC2)on1 ZINC000142295583 562834151 /nfs/dbraw/zinc/83/41/51/562834151.db2.gz QDFIXHJNZHRIQL-GOSISDBHSA-N 0 0 552.950 3.962 1 0 KHAFRN COc1cc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cnc43)CC2)on1 ZINC000142295778 562834158 /nfs/dbraw/zinc/83/41/58/562834158.db2.gz QDFIXHJNZHRIQL-SFHVURJKSA-N 0 0 552.950 3.962 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OC[C@H]3NC(=O)C2(NC(=O)c3ccnnc3)CC2)no1 ZINC000142295994 562834135 /nfs/dbraw/zinc/83/41/35/562834135.db2.gz UFPMXLUTBQTILN-HXUWFJFHSA-N 0 0 534.935 3.807 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OC[C@@H]3NC(=O)C2(NC(=O)c3ccnnc3)CC2)no1 ZINC000142296190 562834139 /nfs/dbraw/zinc/83/41/39/562834139.db2.gz UFPMXLUTBQTILN-FQEVSTJZSA-N 0 0 534.935 3.807 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3ccno3)COC2)no1 ZINC000142296855 562834146 /nfs/dbraw/zinc/83/41/46/562834146.db2.gz CIQFRWAEJMYDAF-FQEVSTJZSA-N 0 0 537.935 3.795 1 0 KHAFRN Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3NC(=O)C2(NC(=O)OC(C)(C)C)CC2)n1 ZINC000142311858 562834134 /nfs/dbraw/zinc/83/41/34/562834134.db2.gz IIMPAUOPPFMYKX-GOSISDBHSA-N 0 0 527.988 3.892 1 0 KHAFRN Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)OC(C)(C)C)CC2)n1 ZINC000142312045 562834129 /nfs/dbraw/zinc/83/41/29/562834129.db2.gz IIMPAUOPPFMYKX-SFHVURJKSA-N 0 0 527.988 3.892 1 0 KHAFRN Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccccc2Cl)no1 ZINC000142367390 562834171 /nfs/dbraw/zinc/83/41/71/562834171.db2.gz CWDABQCUCNGFNM-DQEYMECFSA-N 0 0 596.128 3.721 1 0 KHAFRN CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(=O)Nc4cc(Cl)c([O-])c(Cl)c4)C3)CC2)cc1 ZINC000142501549 562834194 /nfs/dbraw/zinc/83/41/94/562834194.db2.gz MBCGDEROXRLCKP-GOSISDBHSA-N 0 0 519.429 3.511 1 0 KHAFRN O=C(OC[C@H]1O[C@@H](N2CCCCNC2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000142593051 562834271 /nfs/dbraw/zinc/83/42/71/562834271.db2.gz BFRBFNJDKWXXCB-FPCALVHFSA-N 0 0 558.587 3.825 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN1CCC1)ncnc2Nc1ccc(Br)cc1F ZINC000142776580 562834290 /nfs/dbraw/zinc/83/42/90/562834290.db2.gz LRZJFGQTXFKLHL-UHFFFAOYSA-N 0 0 543.397 3.600 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCCC[C@@H]6O)ccn5)n4)ccc3[nH]2)CC1 ZINC000142939952 562834405 /nfs/dbraw/zinc/83/44/05/562834405.db2.gz DSMRWWJLKZSWTI-SVBPBHIXSA-N 0 0 527.629 3.833 1 0 KHAFRN O=C(Nc1ccc(OC(F)(F)F)cn1)N1CC=C(c2ncc(C(F)(F)[C@@H](O)CO)cc2Cl)CC1 ZINC000143000783 562834457 /nfs/dbraw/zinc/83/44/57/562834457.db2.gz PIKDFWUHMDVHCR-HNNXBMFYSA-N 0 0 508.831 3.795 1 0 KHAFRN CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4c3CCC4)nc(I)c21 ZINC000143019040 562834477 /nfs/dbraw/zinc/83/44/77/562834477.db2.gz YWWRKJRTLUDILI-UHFFFAOYSA-N 0 0 503.319 3.851 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCO)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000143075469 562834528 /nfs/dbraw/zinc/83/45/28/562834528.db2.gz VXXSTZLCZOCSDY-UHFFFAOYSA-N 0 0 552.788 3.930 1 0 KHAFRN CCOc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143080417 562834558 /nfs/dbraw/zinc/83/45/58/562834558.db2.gz BWQZQBLASRZDSY-UHFFFAOYSA-N 0 0 509.614 3.829 1 0 KHAFRN COc1cc(C(=O)NCC(=O)N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143088062 562834576 /nfs/dbraw/zinc/83/45/76/562834576.db2.gz YTQSCYPSQIKWIL-UHFFFAOYSA-N 0 0 601.111 3.552 1 0 KHAFRN Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000143136547 562834694 /nfs/dbraw/zinc/83/46/94/562834694.db2.gz XKVUMIOOBCRTBK-JOCHJYFZSA-N 0 0 532.472 3.993 1 0 KHAFRN CC(C)N(C)C(=O)c1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F ZINC000143143879 562834674 /nfs/dbraw/zinc/83/46/74/562834674.db2.gz SOLBNQOBCSLENJ-OALUTQOASA-N 0 0 522.625 3.762 1 0 KHAFRN COc1ccc([C@H]2c3cc(OC(C)=O)c(OC)cc3C[C@@H](COC(C)=O)[C@@H]2COC(C)=O)cc1OC ZINC000143160056 565200076 /nfs/dbraw/zinc/20/00/76/565200076.db2.gz JSDLMEQXUSQVPE-CLHVYKLBSA-N 0 0 500.544 3.684 1 0 biogenic,in-vitro KHAFRN COc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](COC(C)=O)[C@@H]2COC(C)=O)ccc1OC(C)=O ZINC000143160313 565199971 /nfs/dbraw/zinc/19/99/71/565199971.db2.gz KMNIDUTWKKDKSD-CLHVYKLBSA-N 0 0 500.544 3.684 1 0 biogenic,in-vitro KHAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4nc(N5CCOCC5)sc4CO)o3)nc2s1 ZINC000143198573 562834740 /nfs/dbraw/zinc/83/47/40/562834740.db2.gz WZBRVPGYHMADNR-UHFFFAOYSA-N 0 0 529.600 3.586 1 0 KHAFRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)cc1 ZINC000143210769 562834749 /nfs/dbraw/zinc/83/47/49/562834749.db2.gz GYFNKZBXZRBBOH-NRFANRHFSA-N 0 0 500.563 3.858 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CO)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000143228821 562834811 /nfs/dbraw/zinc/83/48/11/562834811.db2.gz AYRINFKNJPHSKZ-UHFFFAOYSA-N 0 0 538.761 3.540 1 0 KHAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3cnn(C)c3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000143324845 562834925 /nfs/dbraw/zinc/83/49/25/562834925.db2.gz AQMVNNGPLWXXRB-RQNOJGIXSA-N 0 0 518.662 3.514 1 0 KHAFRN Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Br)c(C)c3)CC2)n1 ZINC000143326363 562834916 /nfs/dbraw/zinc/83/49/16/562834916.db2.gz HITKWWBAAMNPJX-HSZRJFAPSA-N 0 0 556.505 3.757 1 0 KHAFRN CC(C)CC(=O)NCc1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1 ZINC000143404933 562834991 /nfs/dbraw/zinc/83/49/91/562834991.db2.gz MHNMOVFUXGWKHR-SFTDATJTSA-N 0 0 518.662 3.804 1 0 KHAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccccn5)n4)c3CO)c2=O)c1 ZINC000143437754 562835021 /nfs/dbraw/zinc/83/50/21/562835021.db2.gz OFEWZJGJARRSFX-UHFFFAOYSA-N 0 0 527.560 3.738 1 0 KHAFRN Cc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)ccc5c4=O)c3CO)cc2C(N)=O)nc1 ZINC000143463158 562835093 /nfs/dbraw/zinc/83/50/93/562835093.db2.gz SZFRGNAJXQQOJI-UHFFFAOYSA-N 0 0 523.597 3.907 1 0 KHAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c5ccc(N6CCOCC6)nc54)c3CO)c2=O)c1 ZINC000143483262 562835060 /nfs/dbraw/zinc/83/50/60/562835060.db2.gz ITJZLDXJDGJCRX-UHFFFAOYSA-N 0 0 570.625 3.589 1 0 KHAFRN CC(C)(C)c1ccc2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(F)cn5)n4)c3CO)c2=O)c1 ZINC000143550251 562835160 /nfs/dbraw/zinc/83/51/60/562835160.db2.gz OAXGPZZRBYXQMA-UHFFFAOYSA-N 0 0 527.560 3.738 1 0 KHAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(F)cn5)n4)c3CO)c2=O)c1 ZINC000143562936 562835178 /nfs/dbraw/zinc/83/51/78/562835178.db2.gz GKMWPCOWXFFQJA-UHFFFAOYSA-N 0 0 545.550 3.877 1 0 KHAFRN CC(C)(C)c1ccc2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccccn5)n4)c3CO)c2=O)c1 ZINC000143563142 562835148 /nfs/dbraw/zinc/83/51/48/562835148.db2.gz XQBUJYAUKBBWPS-UHFFFAOYSA-N 0 0 509.570 3.599 1 0 KHAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(S(C)(=O)=O)cc5)n4)c3CO)c2=O)c1 ZINC000143564903 562835166 /nfs/dbraw/zinc/83/51/66/562835166.db2.gz NHLIVXCCGUBGNC-UHFFFAOYSA-N 0 0 604.664 3.746 1 0 KHAFRN C[C@H]1COCCN1c1nc2nc(-c3cccc(CN(C)C(=O)C4CC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000143581962 562835167 /nfs/dbraw/zinc/83/51/67/562835167.db2.gz ZTBKMKDXKQWOII-PMACEKPBSA-N 0 0 516.646 3.510 1 0 KHAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000143691161 562835231 /nfs/dbraw/zinc/83/52/31/562835231.db2.gz IBDCIYFTPSZGPK-KZULUSFZSA-N 0 0 509.435 3.905 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])co1 ZINC000143811306 562835290 /nfs/dbraw/zinc/83/52/90/562835290.db2.gz UOFNGKUACCJHJL-UHORWHLBSA-N 0 0 590.681 3.654 1 0 KHAFRN Cc1oc([C@H](CC(C)C)NC(=O)c2ccc(Oc3ccccc3)cc2)nc1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000143836539 562835331 /nfs/dbraw/zinc/83/53/31/562835331.db2.gz MRWHTAYZLVTJFG-GOTSBHOMSA-N 0 0 564.643 3.739 1 0 KHAFRN NC(=[NH2+])NCCC[C@H](NC(=O)c1[nH]c(C(c2ccccc2)c2ccccc2)nc1-c1ccccc1)C(=O)[O-] ZINC000143837201 562835341 /nfs/dbraw/zinc/83/53/41/562835341.db2.gz UGZOTXNTWGANNE-QFIPXVFZSA-N 0 0 510.598 3.703 1 0 KHAFRN COC(=O)c1ccc2c(C(C)=O)cn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 ZINC000143848206 562835314 /nfs/dbraw/zinc/83/53/14/562835314.db2.gz YJIGBORVNIBXEP-OAOOKAIFSA-N 0 0 525.964 3.729 1 0 KHAFRN NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2cnccc21 ZINC000143869734 562835319 /nfs/dbraw/zinc/83/53/19/562835319.db2.gz RJGGBPRZZVHSGW-IFZYUDKTSA-N 0 0 532.963 3.618 1 0 KHAFRN CC(C)CC(=O)NCc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F ZINC000143882021 562835353 /nfs/dbraw/zinc/83/53/53/562835353.db2.gz KXKSOJSWBSGZBS-PMACEKPBSA-N 0 0 536.652 3.943 1 0 KHAFRN NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(-c3c(F)cccc3Cl)c2)c2cnccc21 ZINC000143892725 562835351 /nfs/dbraw/zinc/83/53/51/562835351.db2.gz PNPKGYSVYMYXIO-LPTQZCDUSA-N 0 0 532.963 3.618 1 0 KHAFRN CCCNC(=O)c1cc(NC)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000143921985 562835415 /nfs/dbraw/zinc/83/54/15/562835415.db2.gz GWSKSDJYGIEIHS-IOWSJCHKSA-N 0 0 624.804 3.926 1 0 KHAFRN NC(=O)n1cc(NC(=O)N2C[C@](F)(CF)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000143941263 562835474 /nfs/dbraw/zinc/83/54/74/562835474.db2.gz BAJDRVMZGVVACH-FDDCHVKYSA-N 0 0 507.900 3.961 1 0 KHAFRN CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(C(F)(F)F)cn4)CC3)cc2=O)c(F)c1 ZINC000143950013 562835436 /nfs/dbraw/zinc/83/54/36/562835436.db2.gz WKEJRHJWGORADX-UHFFFAOYSA-N 0 0 546.930 3.890 1 0 KHAFRN CCO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3cc(C)ncc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000143969693 562835537 /nfs/dbraw/zinc/83/55/37/562835537.db2.gz ADPSEKXHBLIIKG-KSNOWIBYSA-N 0 0 532.975 3.610 1 0 KHAFRN COC(=O)c1ccc2c(c1)n(CC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F)nc2C(C)=O ZINC000144001350 562835606 /nfs/dbraw/zinc/83/56/06/562835606.db2.gz OJNRQWPOQPQDCZ-BJZITVGISA-N 0 0 562.476 3.691 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(C)CO)ccn5)n4)ccc3[nH]2)CC1 ZINC000144190397 562835812 /nfs/dbraw/zinc/83/58/12/562835812.db2.gz CVHRNCJEGZDRJA-UHFFFAOYSA-N 0 0 515.618 3.548 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H]6CCCO6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144195398 562835852 /nfs/dbraw/zinc/83/58/52/562835852.db2.gz RGVFIZYNBXNWRS-QFIPXVFZSA-N 0 0 513.602 3.709 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H]6CCCO6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144195616 562835859 /nfs/dbraw/zinc/83/58/59/562835859.db2.gz RGVFIZYNBXNWRS-JOCHJYFZSA-N 0 0 513.602 3.709 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCC[C@@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144195844 562835856 /nfs/dbraw/zinc/83/58/56/562835856.db2.gz VSKPMVQLECLAGR-FGZHOGPDSA-N 0 0 527.629 3.833 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCC[C@@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144196052 562835890 /nfs/dbraw/zinc/83/58/90/562835890.db2.gz VSKPMVQLECLAGR-YADHBBJMSA-N 0 0 527.629 3.833 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCC[C@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144196236 562835871 /nfs/dbraw/zinc/83/58/71/562835871.db2.gz VSKPMVQLECLAGR-FCHUYYIVSA-N 0 0 527.629 3.833 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCC[C@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144196447 562835854 /nfs/dbraw/zinc/83/58/54/562835854.db2.gz VSKPMVQLECLAGR-VXKWHMMOSA-N 0 0 527.629 3.833 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCN6CCCCC6=O)ccn5)n4)ccc3[nH]2)CC1 ZINC000144199807 562835898 /nfs/dbraw/zinc/83/58/98/562835898.db2.gz LCFLRJXRWMNTOX-UHFFFAOYSA-N 0 0 554.655 3.542 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCCOC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144200249 562835877 /nfs/dbraw/zinc/83/58/77/562835877.db2.gz RHFBSXSIEKVASU-JOCHJYFZSA-N 0 0 513.602 3.709 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCCOC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144200458 562835883 /nfs/dbraw/zinc/83/58/83/562835883.db2.gz RHFBSXSIEKVASU-QFIPXVFZSA-N 0 0 513.602 3.709 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC6CCOCC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144206663 562835951 /nfs/dbraw/zinc/83/59/51/562835951.db2.gz GZJJOOIDMFXAGP-UHFFFAOYSA-N 0 0 513.602 3.709 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC6(C)COC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144207075 562835919 /nfs/dbraw/zinc/83/59/19/562835919.db2.gz NGFHXEDVDKVJHU-UHFFFAOYSA-N 0 0 513.602 3.566 1 0 KHAFRN CCC1(COc2ccnc(-c3ccnc(Nc4ccc5[nH]c(C(=O)N6CCN(C)CC6)cc5c4)n3)c2)COC1 ZINC000144209639 562835946 /nfs/dbraw/zinc/83/59/46/562835946.db2.gz KKTMYUIKDVMACW-UHFFFAOYSA-N 0 0 527.629 3.957 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCC(C)(C)O)ccn5)n4)ccc3[nH]2)CC1 ZINC000144216231 562835936 /nfs/dbraw/zinc/83/59/36/562835936.db2.gz WCYYHDJIMOOTBU-UHFFFAOYSA-N 0 0 515.618 3.691 1 0 KHAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCCN6CCCC6=O)ccn5)n4)ccc3[nH]2)CC1 ZINC000144216459 562835923 /nfs/dbraw/zinc/83/59/23/562835923.db2.gz DMOBAAVAQRJUIV-UHFFFAOYSA-N 0 0 554.655 3.542 1 0 KHAFRN COCCn1cncc1COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1 ZINC000144232378 562835986 /nfs/dbraw/zinc/83/59/86/562835986.db2.gz SHLYXJKGNTVMEZ-UHFFFAOYSA-N 0 0 567.654 3.573 1 0 KHAFRN COc1ccc2nccc([C@@H](O)CN3CC[C@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000144239968 562836003 /nfs/dbraw/zinc/83/60/03/562836003.db2.gz WJAKHOJSUXKJOB-VCOUNFBDSA-N 0 0 532.041 3.572 1 0 KHAFRN O=C(Nc1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)C2)N[C@@H]1CC(CF)(CF)Oc2cc(Cl)ccc21 ZINC000144272144 562836031 /nfs/dbraw/zinc/83/60/31/562836031.db2.gz LNFLWRXCRISPFB-NHCUHLMSSA-N 0 0 520.964 3.859 1 0 KHAFRN O=C(Nc1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)C2)N[C@@H]1CC(CF)(CF)Oc2cc(Cl)ccc21 ZINC000144272355 562836040 /nfs/dbraw/zinc/83/60/40/562836040.db2.gz LNFLWRXCRISPFB-RTWAWAEBSA-N 0 0 520.964 3.859 1 0 KHAFRN O=C(c1cc2cc(Nc3nccc(-c4cc(O[C@H]5CC[C@@H](O)C5)ccn4)n3)ccc2[nH]1)N1CCOCC1 ZINC000144294226 562836110 /nfs/dbraw/zinc/83/61/10/562836110.db2.gz HLLLEKHZPJUVGJ-UXHICEINSA-N 0 0 500.559 3.528 1 0 KHAFRN O=C(c1cc2cc(Nc3nccc(-c4cc(O[C@H]5CC[C@H](O)C5)ccn4)n3)ccc2[nH]1)N1CCOCC1 ZINC000144294428 562836072 /nfs/dbraw/zinc/83/60/72/562836072.db2.gz HLLLEKHZPJUVGJ-PMACEKPBSA-N 0 0 500.559 3.528 1 0 KHAFRN O=C(c1cc2cc(Nc3nccc(-c4cc(O[C@@H]5CC[C@@H](O)C5)ccn4)n3)ccc2[nH]1)N1CCOCC1 ZINC000144294653 562836080 /nfs/dbraw/zinc/83/60/80/562836080.db2.gz HLLLEKHZPJUVGJ-WOJBJXKFSA-N 0 0 500.559 3.528 1 0 KHAFRN O=C(c1cc2cc(Nc3nccc(-c4cc(O[C@@H]5CC[C@H](O)C5)ccn4)n3)ccc2[nH]1)N1CCOCC1 ZINC000144294856 562836093 /nfs/dbraw/zinc/83/60/93/562836093.db2.gz HLLLEKHZPJUVGJ-VQTJNVASSA-N 0 0 500.559 3.528 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1 ZINC000144323366 562836111 /nfs/dbraw/zinc/83/61/11/562836111.db2.gz HFQNWYCMQFVDDL-UHFFFAOYSA-N 0 0 529.641 3.909 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1 ZINC000144324373 562836146 /nfs/dbraw/zinc/83/61/46/562836146.db2.gz QSHWUFNCXFOONQ-UHFFFAOYSA-N 0 0 515.614 3.519 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccoc2)CC1 ZINC000144324590 562836134 /nfs/dbraw/zinc/83/61/34/562836134.db2.gz MDSPEQQNKNNVHR-UHFFFAOYSA-N 0 0 529.641 3.909 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccccn2)CC1 ZINC000144330897 562836136 /nfs/dbraw/zinc/83/61/36/562836136.db2.gz IRSKDQXJDQKMTL-UHFFFAOYSA-N 0 0 540.668 3.711 1 0 KHAFRN Cc1nc(C(=O)Nc2cc(C(=O)NCCCN3CCCC3=O)ccc2N2CCN(c3ccccc3C)CC2)co1 ZINC000144340681 562836128 /nfs/dbraw/zinc/83/61/28/562836128.db2.gz DLPONEIRGXTAOH-UHFFFAOYSA-N 0 0 544.656 3.613 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCOC3=O)cc2NC(=O)c2ccco2)CC1 ZINC000144369691 562836189 /nfs/dbraw/zinc/83/61/89/562836189.db2.gz UFGIWRWUBRNOCQ-UHFFFAOYSA-N 0 0 531.613 3.739 1 0 KHAFRN COc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1 ZINC000144372460 562836196 /nfs/dbraw/zinc/83/61/96/562836196.db2.gz WTJQZDCMDFHXNZ-UHFFFAOYSA-N 0 0 545.640 3.609 1 0 KHAFRN C[C@H]1COCCN1c1nc2nc(-c3cccc(CN(C)C(=O)C4CCC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000144587889 562836435 /nfs/dbraw/zinc/83/64/35/562836435.db2.gz RCVKNQJSRONLFL-SFTDATJTSA-N 0 0 530.673 3.901 1 0 KHAFRN CC(C)C(=O)N(C)Cc1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1 ZINC000144620192 562836543 /nfs/dbraw/zinc/83/65/43/562836543.db2.gz CFBKPESEUHYBGQ-SFTDATJTSA-N 0 0 518.662 3.756 1 0 KHAFRN Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)c4nc(C(F)(F)F)sc42)C3=O)cn1 ZINC000144629259 562836583 /nfs/dbraw/zinc/83/65/83/562836583.db2.gz YQSXKNVPEQLXJQ-UHFFFAOYSA-N 0 0 507.469 3.645 1 0 KHAFRN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC(C)(O)C4)ccn3)c2s1 ZINC000144674780 562836567 /nfs/dbraw/zinc/83/65/67/562836567.db2.gz FBSYYAXYECNZST-UHFFFAOYSA-N 0 0 533.658 3.751 1 0 KHAFRN CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)[C@H](O)C(F)(F)F)nc3)cc(-c3ccccn3)c2s1 ZINC000144704340 562836618 /nfs/dbraw/zinc/83/66/18/562836618.db2.gz HICIUAOWQVGRSI-WMZOPIPTSA-N 0 0 504.494 3.913 1 0 KHAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)ncc2Cl)c1 ZINC000144769350 562836628 /nfs/dbraw/zinc/83/66/28/562836628.db2.gz LXSALHKZTCSKQV-UHFFFAOYSA-N 0 0 559.048 3.881 1 0 KHAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N(C)C ZINC000144799497 562836667 /nfs/dbraw/zinc/83/66/67/562836667.db2.gz CQWFDJLEBAGSOQ-RLWLMLJZSA-N 0 0 544.631 3.932 1 0 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523.523 3.769 1 0 KHAFRN CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)[C@@H](O)C(F)(F)F)nc3)cc(-c3ccccn3)c2s1 ZINC000148034285 562839870 /nfs/dbraw/zinc/83/98/70/562839870.db2.gz HICIUAOWQVGRSI-FUHWJXTLSA-N 0 0 504.494 3.913 1 0 KHAFRN COc1ccc2c(C(C)=O)cn(CC(=O)N3C[C@H](F)[C@@H](OC)[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 ZINC000148037034 562839984 /nfs/dbraw/zinc/83/99/84/562839984.db2.gz JLXKPVSUIWXGRH-KSNOWIBYSA-N 0 0 533.959 3.525 1 0 KHAFRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12 ZINC000148037120 562839940 /nfs/dbraw/zinc/83/99/40/562839940.db2.gz YPNYRPBCWYTQSE-UHFFFAOYSA-N 0 0 553.549 3.777 1 0 KHAFRN COC(=O)Cc1ccc2c(C(C)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 ZINC000148037706 562839958 /nfs/dbraw/zinc/83/99/58/562839958.db2.gz VNYKAMGSYYHXOF-JPYJTQIMSA-N 0 0 545.970 3.607 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C[C@@H]4CCCO4)CC3)nc12 ZINC000148039467 562839949 /nfs/dbraw/zinc/83/99/49/562839949.db2.gz BETYEDKQDABPMQ-FQEVSTJZSA-N 0 0 585.717 3.628 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C[C@H]4CCCO4)CC3)nc12 ZINC000148039690 562839947 /nfs/dbraw/zinc/83/99/47/562839947.db2.gz BETYEDKQDABPMQ-HXUWFJFHSA-N 0 0 585.717 3.628 1 0 KHAFRN CCO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000148048128 562839996 /nfs/dbraw/zinc/83/99/96/562839996.db2.gz FWZNQEXPDOMWPJ-KSNOWIBYSA-N 0 0 517.960 3.907 1 0 KHAFRN C[C@@]1(F)C[C@@H](C(=O)N[C@H](CCO)c2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148049480 562840052 /nfs/dbraw/zinc/84/00/52/562840052.db2.gz UONMNGHQWINAKD-HUJREVKFSA-N 0 0 533.963 3.935 1 0 KHAFRN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)cc1Br ZINC000148055323 562840012 /nfs/dbraw/zinc/84/00/12/562840012.db2.gz SEKVDOQUZVRCGS-BLVKFPJESA-N 0 0 546.353 3.700 1 0 KHAFRN COC(=O)c1cccc2c(C(C)=O)cn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c21 ZINC000148077060 562840142 /nfs/dbraw/zinc/84/01/42/562840142.db2.gz CQAPYYDHWUBSTN-HVETUWLQSA-N 0 0 525.964 3.729 1 0 KHAFRN Cc1ncc(Br)cc1NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Nc1cn(C(N)=O)c2ccccc12 ZINC000148081325 562840172 /nfs/dbraw/zinc/84/01/72/562840172.db2.gz KSEZEMZAPMWUOM-ACJLOTCBSA-N 0 0 503.332 3.617 1 0 KHAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3OC)c2n1 ZINC000148088193 562840229 /nfs/dbraw/zinc/84/02/29/562840229.db2.gz WHRPITYJGPQTSF-UHFFFAOYSA-N 0 0 506.567 3.792 1 0 KHAFRN COc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148088456 562840196 /nfs/dbraw/zinc/84/01/96/562840196.db2.gz OJUUIJADRIRJFU-UHFFFAOYSA-N 0 0 504.551 3.546 1 0 KHAFRN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCCN5CCOCC5)nc43)c2)no1 ZINC000148094385 562840197 /nfs/dbraw/zinc/84/01/97/562840197.db2.gz MMVZRIKPSPLAGT-UHFFFAOYSA-N 0 0 535.584 3.584 1 0 KHAFRN CC(C)(C)OC(=O)COc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1ccccc1F)cn2C(N)=O ZINC000148099970 562840224 /nfs/dbraw/zinc/84/02/24/562840224.db2.gz MFBLSOSQVVYLQP-VEYWIMSWSA-N 0 0 565.602 3.739 1 0 KHAFRN COC(=O)NCc1ccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1 ZINC000148122785 562840276 /nfs/dbraw/zinc/84/02/76/562840276.db2.gz FVTFRNFJCGAMRS-MJZVOSTQSA-N 0 0 572.025 3.950 1 0 KHAFRN CC(=O)c1cn(CC(=O)N2C[C@](C)(F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12 ZINC000148157090 562840360 /nfs/dbraw/zinc/84/03/60/562840360.db2.gz OQKQRFFFGCXAHV-SQJMNOBHSA-N 0 0 503.933 3.988 1 0 KHAFRN CCOC(=O)Cc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000148160179 562840347 /nfs/dbraw/zinc/84/03/47/562840347.db2.gz FPQPVPLIGOJJQP-HVETUWLQSA-N 0 0 555.994 3.777 1 0 KHAFRN COC(=O)COc1ccc2c(c1)c(NC(=O)N1C[C@](C)(F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000148168547 562840435 /nfs/dbraw/zinc/84/04/35/562840435.db2.gz JQHMOAUFRDLCDC-RXFWQSSRSA-N 0 0 577.972 3.563 1 0 KHAFRN COCCN(C)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148185065 562840460 /nfs/dbraw/zinc/84/04/60/562840460.db2.gz TYBAWUQTHYHOMA-ZHRRBRCNSA-N 0 0 563.005 3.704 1 0 KHAFRN COC[C@@H](NC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1F ZINC000148185265 562840488 /nfs/dbraw/zinc/84/04/88/562840488.db2.gz PKGVOUOXTBMFON-YBXYVMKUSA-N 0 0 513.957 3.717 1 0 KHAFRN C[C@@H](Nc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)c1ccccc1N(C)S(C)(=O)=O ZINC000148187474 562840467 /nfs/dbraw/zinc/84/04/67/562840467.db2.gz DYWQXTTUZLFLAA-HXUWFJFHSA-N 0 0 534.690 3.794 1 0 KHAFRN COC(=O)Cc1ccc2c(C(C)=O)cn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 ZINC000148187930 562840448 /nfs/dbraw/zinc/84/04/48/562840448.db2.gz SCIRPTVFUQFQCK-XANCMCCPSA-N 0 0 539.991 3.658 1 0 KHAFRN CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000148190904 562840500 /nfs/dbraw/zinc/84/05/00/562840500.db2.gz HUSYVNZGDFXVQD-WDJPJFJCSA-N 0 0 503.933 3.517 1 0 KHAFRN COC(=O)[C@H]1C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148199816 562840504 /nfs/dbraw/zinc/84/05/04/562840504.db2.gz PMEYWRODWNHWTE-SJCJKPOMSA-N 0 0 551.453 3.640 1 0 KHAFRN NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(Br)c(F)cc12 ZINC000148215212 562840565 /nfs/dbraw/zinc/84/05/65/562840565.db2.gz FJHAHFJTQYNRIX-BLVKFPJESA-N 0 0 571.781 3.690 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148221988 562840601 /nfs/dbraw/zinc/84/06/01/562840601.db2.gz DLYMFVCOHGLILQ-UHFFFAOYSA-N 0 0 523.523 3.890 1 0 KHAFRN Cc1c[nH]c2ncnc(N3CCC(Cc4c[nH]cn4)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 ZINC000148223173 562840610 /nfs/dbraw/zinc/84/06/10/562840610.db2.gz PAOJADRMYANSIV-UHFFFAOYSA-N 0 0 502.579 3.518 1 0 KHAFRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148226925 562840598 /nfs/dbraw/zinc/84/05/98/562840598.db2.gz ICOCHRHRXRATMA-UHFFFAOYSA-N 0 0 532.630 3.575 1 0 KHAFRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148234228 562840639 /nfs/dbraw/zinc/84/06/39/562840639.db2.gz UYFFUEQYUGUAAR-SFHVURJKSA-N 0 0 550.620 3.523 1 0 KHAFRN CN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148242194 562840691 /nfs/dbraw/zinc/84/06/91/562840691.db2.gz FALYDQHXZUYXMW-UHFFFAOYSA-N 0 0 505.558 3.592 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148242973 562840675 /nfs/dbraw/zinc/84/06/75/562840675.db2.gz LYQGPLIHPFJRPG-UHFFFAOYSA-N 0 0 510.480 3.975 1 0 KHAFRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148248183 562840733 /nfs/dbraw/zinc/84/07/33/562840733.db2.gz KNQVRZKXHZJWJN-UHFFFAOYSA-N 0 0 546.657 3.965 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc21 ZINC000148253339 562840719 /nfs/dbraw/zinc/84/07/19/562840719.db2.gz TVPZKDYICOGWCS-QGZVFWFLSA-N 0 0 501.595 3.956 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc21 ZINC000148253522 562840734 /nfs/dbraw/zinc/84/07/34/562840734.db2.gz TVPZKDYICOGWCS-KRWDZBQOSA-N 0 0 501.595 3.956 1 0 KHAFRN COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148263040 562840751 /nfs/dbraw/zinc/84/07/51/562840751.db2.gz AEHYGGIVTRXJTP-KUHUBIRLSA-N 0 0 501.902 3.591 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC[C@H]3CO)nc21 ZINC000148263820 562840768 /nfs/dbraw/zinc/84/07/68/562840768.db2.gz JWCPKPOZCIKSJI-KRWDZBQOSA-N 0 0 502.579 3.971 1 0 KHAFRN Cc1cc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc(Nc2ncnc3cnc(N4CCOCC4)nc32)c1C ZINC000148266662 562840781 /nfs/dbraw/zinc/84/07/81/562840781.db2.gz DWMLHIIIZWTNBX-UHFFFAOYSA-N 0 0 515.622 3.900 1 0 KHAFRN Cc1cc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc(Nc2ncnc3cnc(N4CCN(C)CC4)nc32)c1C ZINC000148266865 562840760 /nfs/dbraw/zinc/84/07/60/562840760.db2.gz WKDWNPQEMKLAAQ-UHFFFAOYSA-N 0 0 528.665 3.815 1 0 KHAFRN Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCOCC4)nc32)c1 ZINC000148267561 562840786 /nfs/dbraw/zinc/84/07/86/562840786.db2.gz CDNXQECXDKFISE-UHFFFAOYSA-N 0 0 522.013 3.937 1 0 KHAFRN Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCN(C)CC4)nc32)c1 ZINC000148268068 562840789 /nfs/dbraw/zinc/84/07/89/562840789.db2.gz VZDXLTZQJXQEHN-UHFFFAOYSA-N 0 0 535.056 3.852 1 0 KHAFRN Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(F)c(Nc2ncnc3cnc(N[C@@H]4CCOC4)nc32)c1 ZINC000148272601 562840810 /nfs/dbraw/zinc/84/08/10/562840810.db2.gz YHOAKEMFGGAVQA-OAHLLOKOSA-N 0 0 505.558 3.787 1 0 KHAFRN Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(F)c(Nc2ncnc3cnc(N[C@H]4CCOC4)nc32)c1 ZINC000148272838 562840818 /nfs/dbraw/zinc/84/08/18/562840818.db2.gz YHOAKEMFGGAVQA-HNNXBMFYSA-N 0 0 505.558 3.787 1 0 KHAFRN COC(=O)c1cc(Br)cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148273882 562840785 /nfs/dbraw/zinc/84/07/85/562840785.db2.gz PRMPAEYGGUBUSE-BYYRLHKVSA-N 0 0 540.374 3.751 1 0 KHAFRN COc1ccc2c(C(C)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 ZINC000148274124 562840797 /nfs/dbraw/zinc/84/07/97/562840797.db2.gz DFRFOIAELLNWCE-ZHRRBRCNSA-N 0 0 503.933 3.900 1 0 KHAFRN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(F)c(Nc2ncnc3cnc(N4CCOCC4)nc32)c1 ZINC000148274726 562840815 /nfs/dbraw/zinc/84/08/15/562840815.db2.gz DBHUIOMOLAVFAS-UHFFFAOYSA-N 0 0 514.443 3.805 1 0 KHAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148275174 562840805 /nfs/dbraw/zinc/84/08/05/562840805.db2.gz SJRUYJFRHDYWHH-UHFFFAOYSA-N 0 0 549.611 3.609 1 0 KHAFRN COC(=O)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2cc(C(C)=O)c3ccccc32)c1 ZINC000148281140 562840862 /nfs/dbraw/zinc/84/08/62/562840862.db2.gz ACFKSDZWUCHJDF-VGSWGCGISA-N 0 0 531.943 3.678 1 0 KHAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)nn5C)ccc4C)c3n2)CC1 ZINC000148290455 562840918 /nfs/dbraw/zinc/84/09/18/562840918.db2.gz VLYOADCUWNPWBM-UHFFFAOYSA-N 0 0 558.691 3.524 1 0 KHAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)[nH]n5)ccc4C)c3n2)CC1 ZINC000148291881 562840898 /nfs/dbraw/zinc/84/08/98/562840898.db2.gz DTGOHEDUGODYMO-UHFFFAOYSA-N 0 0 544.664 3.513 1 0 KHAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(F)(F)F)ccn5)ccc4C)c3n2)CC1 ZINC000148292108 562840886 /nfs/dbraw/zinc/84/08/86/562840886.db2.gz ZQGLWPFTILRZAK-UHFFFAOYSA-N 0 0 567.576 3.906 1 0 KHAFRN COc1ccc2c(c1)c(NC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000148297449 562840914 /nfs/dbraw/zinc/84/09/14/562840914.db2.gz WFGAAFUOFSZFSY-YJYMSZOUSA-N 0 0 505.909 3.630 1 0 KHAFRN C[C@@]1(F)C[C@@H](C(=O)N[C@H](CO)c2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148300604 562840933 /nfs/dbraw/zinc/84/09/33/562840933.db2.gz FRSLQMWZXORVJT-YIGJPRQDSA-N 0 0 519.936 3.545 1 0 KHAFRN NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(F)(F)F)ccc12 ZINC000148305717 562840934 /nfs/dbraw/zinc/84/09/34/562840934.db2.gz VMOOKOCHRUKTLT-YJYMSZOUSA-N 0 0 558.891 3.687 1 0 KHAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)nn4C)ccc3C)c2n1 ZINC000148308879 562840939 /nfs/dbraw/zinc/84/09/39/562840939.db2.gz QCYXBIWJJKQUFS-UHFFFAOYSA-N 0 0 503.611 3.838 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148328492 562841057 /nfs/dbraw/zinc/84/10/57/562841057.db2.gz JOTQIVYQCOHBMZ-UHFFFAOYSA-N 0 0 501.595 3.761 1 0 KHAFRN COc1ccc2c(c1)c(C(C)=O)cn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000148329769 562841061 /nfs/dbraw/zinc/84/10/61/562841061.db2.gz WNULCMCGQNRUDQ-ZHRRBRCNSA-N 0 0 503.933 3.900 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148332511 562841032 /nfs/dbraw/zinc/84/10/32/562841032.db2.gz NFFOCEPQJGKPQF-UHFFFAOYSA-N 0 0 501.595 3.592 1 0 KHAFRN COC(=O)COc1ccc2c(NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(OC(F)(F)F)c3)cn(C(N)=O)c2c1 ZINC000148333465 562841068 /nfs/dbraw/zinc/84/10/68/562841068.db2.gz FSIAISCQJVHFJH-DYHNYNMBSA-N 0 0 575.500 3.652 1 0 KHAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000148339707 562841029 /nfs/dbraw/zinc/84/10/29/562841029.db2.gz SMNVAWMFGUTYDM-UHFFFAOYSA-N 0 0 545.648 3.778 1 0 KHAFRN CC(=O)c1cn(CC(=O)N2C[C@](C)(F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(O)cc12 ZINC000148355112 562841136 /nfs/dbraw/zinc/84/11/36/562841136.db2.gz FBGUFPPLLLXFGS-SQJMNOBHSA-N 0 0 503.933 3.988 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N(C)c1ncnc2cnc(N3CCOCC3)nc21 ZINC000148364206 562841152 /nfs/dbraw/zinc/84/11/52/562841152.db2.gz RBCJCGIUSIPLHT-UHFFFAOYSA-N 0 0 502.579 3.871 1 0 KHAFRN COCCN1CCN(c2ncc3ncnc(N(C)c4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000148367422 562841148 /nfs/dbraw/zinc/84/11/48/562841148.db2.gz TVXAWWQWYUCIGC-UHFFFAOYSA-N 0 0 559.675 3.802 1 0 KHAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Oc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148372302 562841232 /nfs/dbraw/zinc/84/12/32/562841232.db2.gz MDEQLTGOXLRMTF-UHFFFAOYSA-N 0 0 502.579 3.640 1 0 KHAFRN COC(=O)c1cc(Br)cc(NC(=O)[C@@H]2SCCN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148392901 562841271 /nfs/dbraw/zinc/84/12/71/562841271.db2.gz MRMIVRJUUNISKJ-IBGZPJMESA-N 0 0 546.403 3.663 1 0 KHAFRN NC(=O)n1cc(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21 ZINC000148431554 562841308 /nfs/dbraw/zinc/84/13/08/562841308.db2.gz AJJOINYVHLHYOJ-DYVFJYSZSA-N 0 0 510.419 3.726 1 0 KHAFRN COCCOc1ccc2c(c1)c(C(C)=O)nn2CC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F ZINC000148434568 562841286 /nfs/dbraw/zinc/84/12/86/562841286.db2.gz XYYMUFWJRZPALG-LPTQZCDUSA-N 0 0 578.519 3.930 1 0 KHAFRN NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2F)c2ccccc21 ZINC000148445946 562841324 /nfs/dbraw/zinc/84/13/24/562841324.db2.gz MDGNXBPUFIFJKT-ACJLOTCBSA-N 0 0 509.435 3.987 1 0 KHAFRN CO[C@@H]1C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148453700 562841341 /nfs/dbraw/zinc/84/13/41/562841341.db2.gz DASWKWYWBFGGPD-BEFAXECRSA-N 0 0 505.453 3.727 1 0 KHAFRN NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Br)c2F)c2ccccc21 ZINC000148465155 562841427 /nfs/dbraw/zinc/84/14/27/562841427.db2.gz FRHGEUXLSVCHJH-ACJLOTCBSA-N 0 0 520.334 3.730 1 0 KHAFRN CO[C@H]1C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148505291 562841488 /nfs/dbraw/zinc/84/14/88/562841488.db2.gz DASWKWYWBFGGPD-KXBFYZLASA-N 0 0 505.453 3.727 1 0 KHAFRN CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000148627990 562841598 /nfs/dbraw/zinc/84/15/98/562841598.db2.gz CXQXICBDCWZVPX-JIPXPUAJSA-N 0 0 524.564 3.912 1 0 KHAFRN CCOP(=O)(OCC)OC[C@H]1O[C@@H](c2ccc(C3CC3)c(Cc3ccc4c(c3)OCCO4)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000148928782 562841976 /nfs/dbraw/zinc/84/19/76/562841976.db2.gz BTVYADHPHXYDQV-DFLSAPQXSA-N 0 0 564.568 3.646 1 0 KHAFRN NS(=O)(=O)c1cccc(NCc2cc3cc(NC(=O)c4ccccc4Br)cnc3[nH]2)c1 ZINC000148963151 562842030 /nfs/dbraw/zinc/84/20/30/562842030.db2.gz QUFWRPPJHCLCMB-UHFFFAOYSA-N 0 0 500.378 3.837 1 0 KHAFRN COC(=O)N[C@H](C(=O)NCCCC[C@@H](C(N)=O)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000148969775 562842071 /nfs/dbraw/zinc/84/20/71/562842071.db2.gz MHWPVVNPUFZBSG-JDXGNMNLSA-N 0 0 637.803 3.613 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1 ZINC000148972098 562842037 /nfs/dbraw/zinc/84/20/37/562842037.db2.gz YNQRERPFQBJTHG-WNJJXGMVSA-N 0 0 630.211 3.653 1 0 KHAFRN Cc1ccccc1C[C@H](NC(=O)c1cccc(C)c1O)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000148972977 562842052 /nfs/dbraw/zinc/84/20/52/562842052.db2.gz GIXNFUDXKSHSST-IZEXYCQBSA-N 0 0 638.831 3.927 1 0 KHAFRN O=C(OC[C@H]1O[C@@H](N2CC=CCNC2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000149062337 562842089 /nfs/dbraw/zinc/84/20/89/562842089.db2.gz IBHAAVALPBLQKB-FPCALVHFSA-N 0 0 556.571 3.601 1 0 KHAFRN O=C(CNc1nccc2ccc(C(F)(F)F)cc21)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 ZINC000149110652 562842127 /nfs/dbraw/zinc/84/21/27/562842127.db2.gz NFRZZRGASVENJS-RXAXNXDRSA-N 0 0 505.566 3.753 1 0 KHAFRN COc1ccc(CNC(=O)C2CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc54)C3)CC2)c(OC)c1 ZINC000149121695 562842179 /nfs/dbraw/zinc/84/21/79/562842179.db2.gz LWXANGVPWSBMCN-UHFFFAOYSA-N 0 0 600.642 3.753 1 0 KHAFRN Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3cc(F)ccc3C)CC4)c12 ZINC000149129180 562842152 /nfs/dbraw/zinc/84/21/52/562842152.db2.gz XTTITTTUMZIIRM-HXUWFJFHSA-N 0 0 527.648 3.939 1 0 KHAFRN COc1ccc2ncc(F)c(CCC34CCC(NCc5nc6c(c(C)c5F)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000149151170 562842280 /nfs/dbraw/zinc/84/22/80/562842280.db2.gz UAKHGHPUFYJSQX-UHFFFAOYSA-N 0 0 525.556 3.755 1 0 KHAFRN C[C@]1(C(=O)N(CCCS(N)(=O)=O)Cc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000149207241 562842512 /nfs/dbraw/zinc/84/25/12/562842512.db2.gz LSBMNXSDPKXNQH-RUZDIDTESA-N 0 0 534.103 3.796 1 0 KHAFRN C[C@@]1(C(=O)N(CCCS(N)(=O)=O)Cc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000149207436 562842477 /nfs/dbraw/zinc/84/24/77/562842477.db2.gz LSBMNXSDPKXNQH-VWLOTQADSA-N 0 0 534.103 3.796 1 0 KHAFRN CC[C@H]([N-]S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149209939 562842478 /nfs/dbraw/zinc/84/24/78/562842478.db2.gz NXGWDNIQBNLMJE-YJLNNSPDSA-N 0 0 596.598 3.638 1 0 KHAFRN O=C([O-])CCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149211310 562842502 /nfs/dbraw/zinc/84/25/02/562842502.db2.gz IUHQCBLXDNGGHW-UHFFFAOYSA-N 0 0 565.602 3.543 1 0 KHAFRN O=C([O-])C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149221082 562842473 /nfs/dbraw/zinc/84/24/73/562842473.db2.gz CSTGEWWOGMITFK-UHFFFAOYSA-N 0 0 601.582 3.788 1 0 KHAFRN COc1ccc2ncc(F)c(CCC34CCC(NCc5nc6c(cc5Cl)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000149240325 562842545 /nfs/dbraw/zinc/84/25/45/562842545.db2.gz VSAIRVCHLGIPAP-UHFFFAOYSA-N 0 0 527.984 3.961 1 0 KHAFRN O=C([O-])CCCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149263493 562842580 /nfs/dbraw/zinc/84/25/80/562842580.db2.gz LLQTWPUPOTXGPN-UHFFFAOYSA-N 0 0 579.629 3.933 1 0 KHAFRN CNC(=O)CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OC)c2)CC1 ZINC000149274030 562842574 /nfs/dbraw/zinc/84/25/74/562842574.db2.gz VJWLMBVALMQEMA-UHFFFAOYSA-N 0 0 558.023 3.742 1 0 KHAFRN CCc1cc2c(cc1NC(=O)c1ccccc1)c(OCC(F)(F)F)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C ZINC000150031569 562842862 /nfs/dbraw/zinc/84/28/62/562842862.db2.gz CYVJQSOHJMBWOY-UHFFFAOYSA-N 0 0 560.573 3.647 1 0 KHAFRN Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(-c6cncc(S(C)(=O)=O)c6)cc5[nH]4)c3N)ccc2[nH]1 ZINC000150154924 562842913 /nfs/dbraw/zinc/84/29/13/562842913.db2.gz PKVOTNHPZNFTAB-UHFFFAOYSA-N 0 0 511.567 3.817 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cnccn3)nc2N)cc1I ZINC000150243075 562842987 /nfs/dbraw/zinc/84/29/87/562842987.db2.gz RDQZCFLXADCYIO-UHFFFAOYSA-N 0 0 506.304 3.630 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cnccn2)cc1I ZINC000150243296 562842991 /nfs/dbraw/zinc/84/29/91/562842991.db2.gz GVEDTEIKLLBSPN-UHFFFAOYSA-N 0 0 506.304 3.630 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cnc(C)cn3)nc2N)cc1I ZINC000150243697 562842979 /nfs/dbraw/zinc/84/29/79/562842979.db2.gz JBRBJWSEIXJRBC-UHFFFAOYSA-N 0 0 520.331 3.938 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cnc(C)cn2)cc1I ZINC000150243940 562842972 /nfs/dbraw/zinc/84/29/72/562842972.db2.gz LBUNXXDZYALAMX-UHFFFAOYSA-N 0 0 520.331 3.938 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C2CCOCC2)cc1I ZINC000150244193 562842984 /nfs/dbraw/zinc/84/29/84/562842984.db2.gz SAYKBKXUEBQWIB-UHFFFAOYSA-N 0 0 512.348 3.953 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccnnc3)nc2N)cc1I ZINC000150244418 562843002 /nfs/dbraw/zinc/84/30/02/562843002.db2.gz YOYVCPHYQOWHQD-UHFFFAOYSA-N 0 0 506.304 3.630 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C2CCN(C(C)=O)CC2)cc1I ZINC000150261011 562843047 /nfs/dbraw/zinc/84/30/47/562843047.db2.gz ISTDPISOAJSCKK-UHFFFAOYSA-N 0 0 553.401 3.785 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCC(O)CC3)nc2N)cc1I ZINC000150263210 562843037 /nfs/dbraw/zinc/84/30/37/562843037.db2.gz CSIOXAQAITZMKO-UHFFFAOYSA-N 0 0 527.363 3.576 1 0 KHAFRN O=C(CN1CCOCC1)N1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000150353060 562843282 /nfs/dbraw/zinc/84/32/82/562843282.db2.gz HZJZQJCMAGYKKL-NOZRDPDXSA-N 0 0 652.592 3.679 1 0 KHAFRN O=C(CN1CCOCC1)N1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000150353061 562843274 /nfs/dbraw/zinc/84/32/74/562843274.db2.gz HZJZQJCMAGYKKL-ZCYQVOJMSA-N 0 0 652.592 3.679 1 0 KHAFRN O=C(CN1CCOCC1)N1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000150353062 562843283 /nfs/dbraw/zinc/84/32/83/562843283.db2.gz HZJZQJCMAGYKKL-ILBGXUMGSA-N 0 0 652.592 3.679 1 0 KHAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000150530022 562843793 /nfs/dbraw/zinc/84/37/93/562843793.db2.gz KYAHKDXWSROQEB-UMQWNRPGSA-N 0 0 636.192 3.611 1 0 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562852174 /nfs/dbraw/zinc/85/21/74/562852174.db2.gz QZCYTJDXBIPSQP-PKTZIBPZSA-N 0 0 565.662 3.529 1 0 KHAFRN CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169293937 562852169 /nfs/dbraw/zinc/85/21/69/562852169.db2.gz QZCYTJDXBIPSQP-GOTSBHOMSA-N 0 0 565.662 3.529 1 0 KHAFRN COc1cc([C@H](O)[C@H](CO)Oc2ccc([C@@H]3OC[C@@H]4[C@@H]3CO[C@H]4c3cc(OC)c(O)c(OC)c3)cc2OC)ccc1O ZINC000169300247 562852795 /nfs/dbraw/zinc/85/27/95/562852795.db2.gz PFZFCRCFYYFTPE-FMFVLTNISA-N 0 0 584.618 3.681 1 0 KHAFRN CCOC(=O)[C@@H]1[C@@H](c2c[nH]c3ccccc32)N(N=O)[C@@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301830 562852985 /nfs/dbraw/zinc/85/29/85/562852985.db2.gz RMIFLLKDWMATBQ-KIHHCIJBSA-N 0 0 538.582 3.707 1 0 KHAFRN CCOC(=O)[C@@H]1[C@H](c2c[nH]c3ccccc32)N(N=O)[C@@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301831 562852968 /nfs/dbraw/zinc/85/29/68/562852968.db2.gz RMIFLLKDWMATBQ-ZJZGAYNASA-N 0 0 538.582 3.707 1 0 KHAFRN CCOC(=O)[C@H]1[C@H](c2c[nH]c3ccccc32)N(N=O)[C@@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301832 562852983 /nfs/dbraw/zinc/85/29/83/562852983.db2.gz RMIFLLKDWMATBQ-NEWJYFPISA-N 0 0 538.582 3.707 1 0 KHAFRN CCOC(=O)N1CCN(CC(=O)N2[C@@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@@H](C)[C@H]2c2ccc(OC)cc2)CC1 ZINC000169306500 562853571 /nfs/dbraw/zinc/85/35/71/562853571.db2.gz REZPBMNJSHGDSJ-XQOBHTRLSA-N 0 0 537.657 3.944 1 0 KHAFRN CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)NCc5ccccc5)c4)nn32)cc1 ZINC000169306647 562853616 /nfs/dbraw/zinc/85/36/16/562853616.db2.gz MCCQWQZDTQWUQW-UHFFFAOYSA-N 0 0 518.620 3.945 1 0 KHAFRN [NH2+]=c1ccc2c(=O)/c(=N\Nc3ccc(I)cc3Cl)c(S(=O)(=O)[O-])cc=2/c1=N/Nc1ccc(I)cc1Cl ZINC000169307984 562853995 /nfs/dbraw/zinc/85/39/95/562853995.db2.gz VLTHWFFOOUKPSV-QVXSQULOSA-N 0 0 768.158 3.745 1 0 KHAFRN O[C@H](COCCOC[C@@H](O)Cc1ccc(-c2ccccc2)cc1)Cc1cn(-c2ccc3[nH]ccc3c2)nn1 ZINC000169308003 562853982 /nfs/dbraw/zinc/85/39/82/562853982.db2.gz YVAHNFMRMTZEDE-VMPREFPWSA-N 0 0 512.610 3.956 1 0 KHAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc1ccccc1 ZINC000169308425 562854061 /nfs/dbraw/zinc/85/40/61/562854061.db2.gz MIXPITKEPDBATA-OQJORLKISA-N 0 0 504.528 3.611 1 0 KHAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc1ccccc1 ZINC000169308427 562854051 /nfs/dbraw/zinc/85/40/51/562854051.db2.gz MIXPITKEPDBATA-JKAJJDIYSA-N 0 0 504.528 3.611 1 0 KHAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3cccc(Cl)c3)c2-c2ccccc2S1(=O)=O ZINC000169308523 562854099 /nfs/dbraw/zinc/85/40/99/562854099.db2.gz UDTQXSBLDRMYBV-UHFFFAOYSA-N 0 0 558.041 3.955 1 0 KHAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(Cl)cc3)c2-c2ccccc2S1(=O)=O ZINC000169308524 562854114 /nfs/dbraw/zinc/85/41/14/562854114.db2.gz QVTJDMYDEQTCHJ-UHFFFAOYSA-N 0 0 558.041 3.955 1 0 KHAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3Cl)c2-c2ccccc2S1(=O)=O ZINC000169308526 562854113 /nfs/dbraw/zinc/85/41/13/562854113.db2.gz OVPBWNKWNQVZGA-UHFFFAOYSA-N 0 0 558.041 3.955 1 0 KHAFRN Cc1cccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)c1 ZINC000169308536 562854098 /nfs/dbraw/zinc/85/40/98/562854098.db2.gz SWRQEPXREQZVIR-UHFFFAOYSA-N 0 0 537.623 3.610 1 0 KHAFRN Cc1ccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000169308537 562854105 /nfs/dbraw/zinc/85/41/05/562854105.db2.gz LFBPXWDUAVASAE-UHFFFAOYSA-N 0 0 537.623 3.610 1 0 KHAFRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c2c1-c1ccccc1S(=O)(=O)N2C ZINC000169308538 562854102 /nfs/dbraw/zinc/85/41/02/562854102.db2.gz VXQNMULETLCUDQ-UHFFFAOYSA-N 0 0 537.623 3.610 1 0 KHAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(F)c(F)c3)c2-c2ccccc2S1(=O)=O ZINC000169308546 562854111 /nfs/dbraw/zinc/85/41/11/562854111.db2.gz ATMMBJFMMJITMF-UHFFFAOYSA-N 0 0 559.576 3.580 1 0 KHAFRN Cc1ccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)cc1C ZINC000169308550 562854106 /nfs/dbraw/zinc/85/41/06/562854106.db2.gz VUPWQAFJENTYDN-UHFFFAOYSA-N 0 0 551.650 3.918 1 0 KHAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(C3CCCCC3)c2-c2ccccc2S1(=O)=O ZINC000169308553 562854129 /nfs/dbraw/zinc/85/41/29/562854129.db2.gz KJIZVCKEBNGRAE-UHFFFAOYSA-N 0 0 529.644 3.818 1 0 KHAFRN COc1cc[nH+]c(NCCCOc2ccc(C[C@@H](CC(=O)[O-])NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000169308563 562854142 /nfs/dbraw/zinc/85/41/42/562854142.db2.gz NEEFZJDFXACOOY-NRFANRHFSA-N 0 0 513.616 3.644 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2ccc(OC)cc2)nn1)C(F)(F)F ZINC000169309348 562854307 /nfs/dbraw/zinc/85/43/07/562854307.db2.gz OKCZDIDXYVXFIW-XMMPIXPASA-N 0 0 532.475 3.740 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2ccc(OC)cc2)nn1)C(F)(F)F ZINC000169309351 562854287 /nfs/dbraw/zinc/85/42/87/562854287.db2.gz OKCZDIDXYVXFIW-DEOSSOPVSA-N 0 0 532.475 3.740 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2cccc(F)c2)nn1)C(F)(F)F ZINC000169309354 562854326 /nfs/dbraw/zinc/85/43/26/562854326.db2.gz QEXVISWQNWDZJT-HSZRJFAPSA-N 0 0 520.439 3.870 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2cccc(F)c2)nn1)C(F)(F)F ZINC000169309355 562854339 /nfs/dbraw/zinc/85/43/39/562854339.db2.gz QEXVISWQNWDZJT-QHCPKHFHSA-N 0 0 520.439 3.870 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2ccccc2F)nn1)C(F)(F)F ZINC000169309356 562854321 /nfs/dbraw/zinc/85/43/21/562854321.db2.gz YOXSZZRISNTLTN-HSZRJFAPSA-N 0 0 520.439 3.870 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2ccccc2F)nn1)C(F)(F)F ZINC000169309357 562854323 /nfs/dbraw/zinc/85/43/23/562854323.db2.gz YOXSZZRISNTLTN-QHCPKHFHSA-N 0 0 520.439 3.870 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)NC2CCCCC2)nn1)C(F)(F)F ZINC000169309362 562854330 /nfs/dbraw/zinc/85/43/30/562854330.db2.gz GLQCTQNNNBAXEM-HSZRJFAPSA-N 0 0 508.497 3.541 1 0 KHAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)NC2CCCCC2)nn1)C(F)(F)F ZINC000169309363 562854333 /nfs/dbraw/zinc/85/43/33/562854333.db2.gz GLQCTQNNNBAXEM-QHCPKHFHSA-N 0 0 508.497 3.541 1 0 KHAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)O[C@@H](C)C(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000169310023 562854591 /nfs/dbraw/zinc/85/45/91/562854591.db2.gz SEHFNYYJZGUCSW-GDQWOZPYSA-N 0 0 821.917 3.506 1 0 KHAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)O[C@H](C)C(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000169310025 562854575 /nfs/dbraw/zinc/85/45/75/562854575.db2.gz SEHFNYYJZGUCSW-LCNMGATESA-N 0 0 821.917 3.506 1 0 KHAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000169310146 562854702 /nfs/dbraw/zinc/85/47/02/562854702.db2.gz YUZQDEBWPUFQAF-RBFWQIJRSA-N 0 0 563.695 3.901 1 0 KHAFRN CSc1ccccc1N1CCN(Cc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1 ZINC000169310370 562854793 /nfs/dbraw/zinc/85/47/93/562854793.db2.gz LOTKGAXKIJSRRT-SANMLTNESA-N 0 0 500.668 3.783 1 0 KHAFRN O=C(N[C@@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000169310395 562854744 /nfs/dbraw/zinc/85/47/44/562854744.db2.gz BIKGVNSHHBUWKV-KAYWLYCHSA-N 0 0 543.689 3.896 1 0 KHAFRN COc1cc(OC)nc(-c2nnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)o2)n1 ZINC000169311895 562855239 /nfs/dbraw/zinc/85/52/39/562855239.db2.gz CFIHSPAQHPEYTI-AKJBCIBTSA-N 0 0 501.499 3.722 1 0 KHAFRN CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000169312029 562855294 /nfs/dbraw/zinc/85/52/94/562855294.db2.gz AONNRJIZKJKPTI-UHFFFAOYSA-N 0 0 523.430 3.930 1 0 KHAFRN Cc1cc(NCc2c[nH]cn2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312350 562855347 /nfs/dbraw/zinc/85/53/47/562855347.db2.gz ULDIOSIRYWPSDT-SQKWSBCUSA-N 0 0 726.900 3.560 1 0 KHAFRN COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000169312499 562855351 /nfs/dbraw/zinc/85/53/51/562855351.db2.gz WCHNXJKSQIUKDO-UHFFFAOYSA-N 0 0 562.656 3.601 1 0 KHAFRN CC(C)c1cc(-n2nnc(C(=O)NC3CCCC3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O ZINC000169313095 562855549 /nfs/dbraw/zinc/85/55/49/562855549.db2.gz NCZKFFVXUCMMPH-UHFFFAOYSA-N 0 0 505.619 3.974 1 0 KHAFRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169316237 562855812 /nfs/dbraw/zinc/85/58/12/562855812.db2.gz UEHGTCRCHJEZIN-JDIHBLRXSA-N 0 0 672.889 3.548 1 0 KHAFRN CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000169317475 562855966 /nfs/dbraw/zinc/85/59/66/562855966.db2.gz MWJGDTZPZCVPJM-MKFVVNLRSA-N 0 0 707.979 3.759 1 0 KHAFRN CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000169319145 562856186 /nfs/dbraw/zinc/85/61/86/562856186.db2.gz VGQDAFRILWAFTH-QKDODKLFSA-N 0 0 581.710 3.718 1 0 KHAFRN CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1 ZINC000169319153 562856191 /nfs/dbraw/zinc/85/61/91/562856191.db2.gz HUCFYUDEZMWIKG-SDHOMARFSA-N 0 0 539.673 3.542 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)N[C@@H](CC(=O)NCCCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000169319819 562856303 /nfs/dbraw/zinc/85/63/03/562856303.db2.gz ZSMOVNYAQTWYDQ-VWENNTDVSA-N 0 0 759.577 3.716 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)N[C@@H](CC(=O)NCCCc1cccc2ccccc21)C(=O)[O-] ZINC000169319827 562856306 /nfs/dbraw/zinc/85/63/06/562856306.db2.gz ITJHFUARCQOOJL-CAHTXNBRSA-N 0 0 740.747 3.562 1 0 KHAFRN CCCCCCOc1ccc2c(c1)CCc1cnn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c1-2 ZINC000169320665 562856488 /nfs/dbraw/zinc/85/64/88/562856488.db2.gz UHVDAMDJYNNCQB-OVFXHNNVSA-N 0 0 600.665 3.863 1 0 KHAFRN COc1ccc([C@@](Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000169320756 562856474 /nfs/dbraw/zinc/85/64/74/562856474.db2.gz XKSPFOQIWILNMF-RBLPGQSGSA-N 0 0 659.694 3.845 1 0 KHAFRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(O)O)c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000169320865 562856516 /nfs/dbraw/zinc/85/65/16/562856516.db2.gz JFRHDSHTDXEOOS-YLKQWKBVSA-N 0 0 622.655 3.908 1 0 KHAFRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(O)O)c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000169320867 562856525 /nfs/dbraw/zinc/85/65/25/562856525.db2.gz JFRHDSHTDXEOOS-CCLVUABDSA-N 0 0 622.655 3.908 1 0 KHAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1cnc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1 ZINC000169320869 562856521 /nfs/dbraw/zinc/85/65/21/562856521.db2.gz UNGVXJUIJVUEEB-GOTSBHOMSA-N 0 0 591.752 3.936 1 0 KHAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1 ZINC000169320871 562856534 /nfs/dbraw/zinc/85/65/34/562856534.db2.gz UNGVXJUIJVUEEB-PKTZIBPZSA-N 0 0 591.752 3.936 1 0 KHAFRN COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000169323051 562856935 /nfs/dbraw/zinc/85/69/35/562856935.db2.gz DOVBDVGFLOFMTQ-LJWNLINESA-N 0 0 663.753 3.875 1 0 KHAFRN CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000169323055 562856955 /nfs/dbraw/zinc/85/69/55/562856955.db2.gz CZHYTXLTCPQNJW-ORYMTKCHSA-N 0 0 668.880 3.942 1 0 KHAFRN COc1ccc(C2=NO[C@@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)cc1OC ZINC000169323587 562857073 /nfs/dbraw/zinc/85/70/73/562857073.db2.gz ZHGXSOVNUBBQGA-LJQANCHMSA-N 0 0 562.583 3.527 1 0 KHAFRN COc1ccc(C2=NO[C@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)cc1OC ZINC000169323589 562857080 /nfs/dbraw/zinc/85/70/80/562857080.db2.gz ZHGXSOVNUBBQGA-IBGZPJMESA-N 0 0 562.583 3.527 1 0 KHAFRN COc1ccc(OC)c(C2=NO[C@@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)c1 ZINC000169323591 562857104 /nfs/dbraw/zinc/85/71/04/562857104.db2.gz NJGPRTWVLZBSCW-LJQANCHMSA-N 0 0 562.583 3.527 1 0 KHAFRN COc1ccc(OC)c(C2=NO[C@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)c1 ZINC000169323593 562857140 /nfs/dbraw/zinc/85/71/40/562857140.db2.gz NJGPRTWVLZBSCW-IBGZPJMESA-N 0 0 562.583 3.527 1 0 KHAFRN COc1cc(C2=NO[C@@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)cc(OC)c1OC ZINC000169323594 562857128 /nfs/dbraw/zinc/85/71/28/562857128.db2.gz CQSODKYNWIQVME-LJQANCHMSA-N 0 0 592.609 3.535 1 0 KHAFRN COc1cc(C2=NO[C@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)cc(OC)c1OC ZINC000169323596 562857111 /nfs/dbraw/zinc/85/71/11/562857111.db2.gz CQSODKYNWIQVME-IBGZPJMESA-N 0 0 592.609 3.535 1 0 KHAFRN COc1ccc(C2=NO[C@@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)c(OC)c1OC ZINC000169323598 562857119 /nfs/dbraw/zinc/85/71/19/562857119.db2.gz LIWGWDGWUVPADL-GOSISDBHSA-N 0 0 592.609 3.535 1 0 KHAFRN COc1ccc(C2=NO[C@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)c(OC)c1OC ZINC000169323600 562857139 /nfs/dbraw/zinc/85/71/39/562857139.db2.gz LIWGWDGWUVPADL-SFHVURJKSA-N 0 0 592.609 3.535 1 0 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/nfs/dbraw/zinc/86/03/39/562860339.db2.gz WWFUDPRPNSFFPU-LCAQOTFOSA-N 0 0 505.681 3.748 1 0 KHAFRN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)/C(=C/c1cccc(OC)c1)NC(C)=O)C(C)(C)C ZINC000169338828 562860345 /nfs/dbraw/zinc/86/03/45/562860345.db2.gz GNUALZHLZKAQPG-OSYDJHLFSA-N 0 0 529.678 3.696 1 0 KHAFRN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)NC(C)=O)C(C)(C)C ZINC000169338829 562860327 /nfs/dbraw/zinc/86/03/27/562860327.db2.gz LDIBULHCPKCOSD-YLCUBRJMSA-N 0 0 529.678 3.696 1 0 KHAFRN C[C@@H](N1CCn2nc(-c3cccc(C(F)(F)F)c3)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169339847 562860511 /nfs/dbraw/zinc/86/05/11/562860511.db2.gz SYDKFMVMWQKNKR-IQMFZBJNSA-N 0 0 519.478 3.626 1 0 KHAFRN COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C(C)C)n2)c1 ZINC000169340221 562860606 /nfs/dbraw/zinc/86/06/06/562860606.db2.gz JUSWNHGYLDZDNB-UHFFFAOYSA-N 0 0 512.632 3.645 1 0 KHAFRN O=c1cc(OCc2cn(-c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nn2)c2ccccc2o1 ZINC000169340267 562860583 /nfs/dbraw/zinc/86/05/83/562860583.db2.gz LDUVQHCMFAFCHR-UHFFFAOYSA-N 0 0 514.563 3.700 1 0 KHAFRN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(-n3cc(COc4ccccc4)nn3)cc1)CC2 ZINC000169340273 562860596 /nfs/dbraw/zinc/86/05/96/562860596.db2.gz AHPKEDMCRZIDPP-UHFFFAOYSA-N 0 0 506.584 3.611 1 0 KHAFRN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(-n3cc(COc4ccccc4C)nn3)cc1)CC2 ZINC000169340280 562860621 /nfs/dbraw/zinc/86/06/21/562860621.db2.gz UUWOQOBUTBJTRQ-UHFFFAOYSA-N 0 0 520.611 3.919 1 0 KHAFRN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(-n3cc(COc4ccc(C)cc4)nn3)cc1)CC2 ZINC000169340284 562860612 /nfs/dbraw/zinc/86/06/12/562860612.db2.gz MDDJZHXUCXACIQ-UHFFFAOYSA-N 0 0 520.611 3.919 1 0 KHAFRN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(-n3cc(COc4ccccc4C(C)=O)nn3)cc1)CC2 ZINC000169340286 562860620 /nfs/dbraw/zinc/86/06/20/562860620.db2.gz ZTEHLWWLMBYYIS-UHFFFAOYSA-N 0 0 548.621 3.813 1 0 KHAFRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C2)cc1 ZINC000169340892 562860650 /nfs/dbraw/zinc/86/06/50/562860650.db2.gz BABSIJGJVSYVNG-YCVJPRETSA-N 0 0 562.711 3.792 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2N(C)C(=O)c2ccco2)CC1 ZINC000169341189 562860750 /nfs/dbraw/zinc/86/07/50/562860750.db2.gz LNFBSGHSORYNDZ-UHFFFAOYSA-N 0 0 543.668 3.934 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2N(C)C(=O)c2ccc[nH]2)CC1 ZINC000169341192 562860741 /nfs/dbraw/zinc/86/07/41/562860741.db2.gz MHZKHVDOCLHZGE-UHFFFAOYSA-N 0 0 542.684 3.669 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2cccnc2)CC1 ZINC000169341197 562860752 /nfs/dbraw/zinc/86/07/52/562860752.db2.gz XEGBPJCJHABWEY-UHFFFAOYSA-N 0 0 540.668 3.711 1 0 KHAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccncc2)CC1 ZINC000169341198 562860743 /nfs/dbraw/zinc/86/07/43/562860743.db2.gz CSSZZEXZWWWWKI-UHFFFAOYSA-N 0 0 540.668 3.711 1 0 KHAFRN COC(=O)c1cc(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)[nH]n1 ZINC000169342098 562860948 /nfs/dbraw/zinc/86/09/48/562860948.db2.gz YQLPDQLJZHECOG-VAVYLYDRSA-N 0 0 614.705 3.944 1 0 KHAFRN COC(=O)c1cc(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)nn1C ZINC000169342105 562860953 /nfs/dbraw/zinc/86/09/53/562860953.db2.gz ROMVQWJLRPTPQO-PDDLMNHVSA-N 0 0 628.732 3.955 1 0 KHAFRN CCOC(=O)[C@H]1CC(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)=NN1 ZINC000169342109 562860937 /nfs/dbraw/zinc/86/09/37/562860937.db2.gz BRIMLPALYQNWQF-DHDFKREGSA-N 0 0 630.748 3.558 1 0 KHAFRN CCOC(=O)[C@@H]1CC(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)=NN1 ZINC000169342110 562860939 /nfs/dbraw/zinc/86/09/39/562860939.db2.gz BRIMLPALYQNWQF-RFJFUGTDSA-N 0 0 630.748 3.558 1 0 KHAFRN Cc1cc(C[C@@H]([NH3+])C(=O)[O-])cc(I)c1Oc1ccc(O)c(I)c1 ZINC000169342210 562860945 /nfs/dbraw/zinc/86/09/45/562860945.db2.gz RWDZYQIFPJJBHE-CYBMUJFWSA-N 0 0 539.107 3.657 1 0 KHAFRN C[C@H]1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@@H](OC(=O)CC(=O)O[C@H]3[C@@H]4[C@@H](C)C(=O)O[C@@H]4C[C@@H](C)[C@@H]4CCC(=O)[C@]43C)[C@H]12 ZINC000169342214 562860994 /nfs/dbraw/zinc/86/09/94/562860994.db2.gz MZLXYISZAFBQFV-IQAQJEEFSA-N 0 0 600.705 3.606 1 0 KHAFRN Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc(C)c1O ZINC000169342225 562860973 /nfs/dbraw/zinc/86/09/73/562860973.db2.gz SZNJYIBQFHNVJS-CQSZACIVSA-N 0 0 553.134 3.965 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cc(F)c(O)c(F)c2)c(I)c1)C(=O)[O-] ZINC000169342226 562860971 /nfs/dbraw/zinc/86/09/71/562860971.db2.gz PVLLIHKDWIMPAQ-GFCCVEGCSA-N 0 0 561.060 3.626 1 0 KHAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343504 562861189 /nfs/dbraw/zinc/86/11/89/562861189.db2.gz QFEJQGPCVAHKFR-HSMDZUCRSA-N 0 0 563.519 3.757 1 0 KHAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343505 562861162 /nfs/dbraw/zinc/86/11/62/562861162.db2.gz QFEJQGPCVAHKFR-GBNMZXLYSA-N 0 0 563.519 3.757 1 0 KHAFRN CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1 ZINC000169343563 562861170 /nfs/dbraw/zinc/86/11/70/562861170.db2.gz KLKFNBIIVIGNCB-UHFFFAOYSA-N 0 0 560.451 3.985 1 0 KHAFRN C[C@@H](N1CCn2nc(-c3ccc(C(F)(F)F)cc3)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343593 562861209 /nfs/dbraw/zinc/86/12/09/562861209.db2.gz NUGXXAXHUGQPCT-IQMFZBJNSA-N 0 0 519.478 3.626 1 0 KHAFRN COc1cc(C(=O)N[C@H](c2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)C(C)C)cc(OC)c1OC ZINC000169343804 562861285 /nfs/dbraw/zinc/86/12/85/562861285.db2.gz KLCDXWKFWLDVFY-QFIPXVFZSA-N 0 0 527.599 3.955 1 0 KHAFRN COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C(C)C)n2)c1 ZINC000169343954 562861294 /nfs/dbraw/zinc/86/12/94/562861294.db2.gz UBNZXKGTOKPEFX-UHFFFAOYSA-N 0 0 526.659 3.669 1 0 KHAFRN C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)NCC(=O)OCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)CCC[C@@]1(C)[C@@H]3CC2 ZINC000169345274 562861574 /nfs/dbraw/zinc/86/15/74/562861574.db2.gz AZKGVANFWPKSAN-PQNMBCDZSA-N 0 0 643.759 3.551 1 0 KHAFRN C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)NCC(=O)OCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)CCC[C@@]1(C)[C@@H]3CC2 ZINC000169345276 562861561 /nfs/dbraw/zinc/86/15/61/562861561.db2.gz XZUCNBMTQVDXCO-SXHOGQGHSA-N 0 0 657.786 3.941 1 0 KHAFRN Cc1c(C)c(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000169345415 562861592 /nfs/dbraw/zinc/86/15/92/562861592.db2.gz HFVJRWCTLSRWRN-CYBMUJFWSA-N 0 0 553.134 3.965 1 0 KHAFRN Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)c(C)cc1O ZINC000169345417 562861597 /nfs/dbraw/zinc/86/15/97/562861597.db2.gz KCVUYMQCXQJBRV-CYBMUJFWSA-N 0 0 553.134 3.965 1 0 KHAFRN Cc1cccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)c1 ZINC000169345433 562861635 /nfs/dbraw/zinc/86/16/35/562861635.db2.gz VLTNXXZNHLIABH-CQSZACIVSA-N 0 0 523.108 3.951 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccccc2)c(I)c1)C(=O)[O-] ZINC000169345438 562861633 /nfs/dbraw/zinc/86/16/33/562861633.db2.gz UHZWRGXBMIWAMZ-CYBMUJFWSA-N 0 0 509.081 3.643 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cccc(F)c2)c(I)c1)C(=O)[O-] ZINC000169345448 562861631 /nfs/dbraw/zinc/86/16/31/562861631.db2.gz OAGWPANXYJOAFZ-CYBMUJFWSA-N 0 0 527.071 3.782 1 0 KHAFRN COc1ccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1C ZINC000169345455 562861628 /nfs/dbraw/zinc/86/16/28/562861628.db2.gz BMHOVPFZQDUVDU-CQSZACIVSA-N 0 0 553.134 3.960 1 0 KHAFRN COc1ccc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc1C ZINC000169345456 562861619 /nfs/dbraw/zinc/86/16/19/562861619.db2.gz BMHOVPFZQDUVDU-AWEZNQCLSA-N 0 0 553.134 3.960 1 0 KHAFRN Cn1cc(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)[C@@H](C(=O)[O-])C2)cn1 ZINC000169346087 562861710 /nfs/dbraw/zinc/86/17/10/562861710.db2.gz JGNDWBJCLJKHCC-MUUNZHRXSA-N 0 0 684.132 3.686 1 0 KHAFRN [NH3+][C@@H](Cc1cc(I)c(Sc2ccc(O)cc2)c(I)c1)C(=O)[O-] ZINC000169346245 562861724 /nfs/dbraw/zinc/86/17/24/562861724.db2.gz QIBGOINCJQNAOT-ZDUSSCGKSA-N 0 0 541.148 3.707 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Sc2ccc(O)cc2)c(I)c1)C(=O)[O-] ZINC000169346246 562861746 /nfs/dbraw/zinc/86/17/46/562861746.db2.gz QIBGOINCJQNAOT-CYBMUJFWSA-N 0 0 541.148 3.707 1 0 KHAFRN [NH3+][C@H](Cc1cc(I)c(Cc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000169346251 562861728 /nfs/dbraw/zinc/86/17/28/562861728.db2.gz DSBHIDNJTDGVEL-CQSZACIVSA-N 0 0 649.004 3.751 1 0 KHAFRN Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1N ZINC000169346253 562861740 /nfs/dbraw/zinc/86/17/40/562861740.db2.gz HSTWPSHOTNZRSR-CQSZACIVSA-N 0 0 538.123 3.533 1 0 KHAFRN Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc(C)c1N ZINC000169346255 562861747 /nfs/dbraw/zinc/86/17/47/562861747.db2.gz GRGMQBVLZMEOEQ-CQSZACIVSA-N 0 0 552.150 3.842 1 0 KHAFRN Cc1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc(C)c1N ZINC000169346256 562861723 /nfs/dbraw/zinc/86/17/23/562861723.db2.gz GRGMQBVLZMEOEQ-AWEZNQCLSA-N 0 0 552.150 3.842 1 0 KHAFRN COc1cc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1 ZINC000169347565 562862022 /nfs/dbraw/zinc/86/20/22/562862022.db2.gz VXBVLDKDVARLHO-HXUWFJFHSA-N 0 0 649.570 3.607 1 0 KHAFRN Cc1c(O)ccc2c(NCCN3CCOCC3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349095 562862421 /nfs/dbraw/zinc/86/24/21/562862421.db2.gz UCNIODWTJWXITC-UHFFFAOYSA-N 0 0 507.587 3.907 1 0 KHAFRN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(N)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000169349098 562862439 /nfs/dbraw/zinc/86/24/39/562862439.db2.gz JZKARYVXIGDUAC-XHIURRAOSA-N 0 0 724.716 3.501 1 0 KHAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349480 562862561 /nfs/dbraw/zinc/86/25/61/562862561.db2.gz MZVPRNSXEUYGNI-LPYGTTGFSA-N 0 0 809.705 3.684 1 0 KHAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349482 562862548 /nfs/dbraw/zinc/86/25/48/562862548.db2.gz MZVPRNSXEUYGNI-BWFYGAPHSA-N 0 0 809.705 3.684 1 0 KHAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349519 562862666 /nfs/dbraw/zinc/86/26/66/562862666.db2.gz FRQRBVKRHSJQBA-LPYGTTGFSA-N 0 0 718.254 3.733 1 0 KHAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349521 562862646 /nfs/dbraw/zinc/86/26/46/562862646.db2.gz FRQRBVKRHSJQBA-BWFYGAPHSA-N 0 0 718.254 3.733 1 0 KHAFRN COc1ccc(C(=O)[C@@H](NC(=O)c2cc(Br)c(Br)[nH]2)OC)cc1Br ZINC000169350415 562862808 /nfs/dbraw/zinc/86/28/08/562862808.db2.gz OLXPHISZDGKREQ-HNNXBMFYSA-N 0 0 524.991 3.896 1 0 KHAFRN COc1ccc(C(=O)[C@H](NC(=O)c2cc(Br)c(Br)[nH]2)OC)cc1Br ZINC000169350419 562862795 /nfs/dbraw/zinc/86/27/95/562862795.db2.gz OLXPHISZDGKREQ-OAHLLOKOSA-N 0 0 524.991 3.896 1 0 KHAFRN CS(=O)(=O)Cn1ccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)n2)n1 ZINC000169350842 562862927 /nfs/dbraw/zinc/86/29/27/562862927.db2.gz ACUDHDKRSYSSKI-UHFFFAOYSA-N 0 0 583.577 3.847 1 0 KHAFRN CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352779 562863246 /nfs/dbraw/zinc/86/32/46/562863246.db2.gz KCERDJVEAQJEHU-UHFFFAOYSA-N 0 0 542.602 3.674 1 0 KHAFRN CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccco1)C(=O)OC(C)C ZINC000169352976 562863312 /nfs/dbraw/zinc/86/33/12/562863312.db2.gz DKKHXJOFFOBIAA-IBGZPJMESA-N 0 0 516.645 3.970 1 0 KHAFRN CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccoc1)C(=O)OC(C)C ZINC000169352977 562863307 /nfs/dbraw/zinc/86/33/07/562863307.db2.gz GXMNJKVKAJNHRK-FQEVSTJZSA-N 0 0 516.645 3.970 1 0 KHAFRN COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169355718 562863757 /nfs/dbraw/zinc/86/37/57/562863757.db2.gz WZPWELQGKCLBGK-KMDXXIMOSA-N 0 0 518.595 3.895 1 0 KHAFRN COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169355720 562863780 /nfs/dbraw/zinc/86/37/80/562863780.db2.gz WZPWELQGKCLBGK-HJOGWXRNSA-N 0 0 518.595 3.895 1 0 KHAFRN COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000169355788 562863789 /nfs/dbraw/zinc/86/37/89/562863789.db2.gz VNRYYPGVKHKCOO-KNXBSLHKSA-N 0 0 564.385 3.946 1 0 KHAFRN COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000169355790 562863793 /nfs/dbraw/zinc/86/37/93/562863793.db2.gz VNRYYPGVKHKCOO-USCONSEESA-N 0 0 564.385 3.946 1 0 KHAFRN COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1 ZINC000169356504 562863819 /nfs/dbraw/zinc/86/38/19/562863819.db2.gz RBTNDQZGHUHIFN-HXUWFJFHSA-N 0 0 649.570 3.607 1 0 KHAFRN Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000169357046 562863895 /nfs/dbraw/zinc/86/38/95/562863895.db2.gz YOGHHFIXJGCJIG-FTJBHMTQSA-N 0 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COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1cccc(Br)c1 ZINC000169360441 562864137 /nfs/dbraw/zinc/86/41/37/562864137.db2.gz YMBYLURKHCJQCQ-XQBPLPMBSA-N 0 0 521.433 3.518 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(F)(F)c1cc(OC)c(OC)c(OC)c1 ZINC000169361676 562864230 /nfs/dbraw/zinc/86/42/30/562864230.db2.gz OTVHRIZLQYAOCD-IMWIBFENSA-N 0 0 546.567 3.711 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(F)(F)c1cc(OC)c(OC)c(OC)c1 ZINC000169361677 562864232 /nfs/dbraw/zinc/86/42/32/562864232.db2.gz OTVHRIZLQYAOCD-YDIMBITNSA-N 0 0 546.567 3.711 1 0 KHAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(Br)cc1 ZINC000169362215 562864243 /nfs/dbraw/zinc/86/42/43/562864243.db2.gz FSRQTDZDIFLRDO-DXIQSLLYSA-N 0 0 521.433 3.518 1 0 KHAFRN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2ccc(Br)nc2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]21C ZINC000169362856 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PPVXMKZCXKRWAJ-FCHMXCRXSA-N 0 0 554.779 3.531 1 0 KHAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000169686767 562865128 /nfs/dbraw/zinc/86/51/28/562865128.db2.gz MCJPDCSQVOPNDL-UHFFFAOYSA-N 0 0 563.474 3.744 1 0 KHAFRN O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C[C@@H]2O ZINC000169694063 562865149 /nfs/dbraw/zinc/86/51/49/562865149.db2.gz GWDCJYAPKYWVQE-ICSRJNTNSA-N 0 0 554.465 3.662 1 0 KHAFRN O=C1N(c2ccc(CC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1ccccc1Cl)C[C@@H]2O ZINC000169694064 562865163 /nfs/dbraw/zinc/86/51/63/562865163.db2.gz ODTUIVRBQVCXGM-FPOVZHCZSA-N 0 0 502.942 3.623 1 0 KHAFRN CNC(=O)C1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000169694278 562865228 /nfs/dbraw/zinc/86/52/28/562865228.db2.gz LDUXHUVGRQLZHK-UHFFFAOYSA-N 0 0 530.028 3.932 1 0 KHAFRN CCOC(=O)N=[S@@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 ZINC000169694329 562865242 /nfs/dbraw/zinc/86/52/42/562865242.db2.gz KZTJASZKBUWOAR-MVUVFATMSA-N 0 0 530.445 3.794 1 0 KHAFRN CCOC(=O)N=[S@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 ZINC000169694330 562865263 /nfs/dbraw/zinc/86/52/63/562865263.db2.gz KZTJASZKBUWOAR-BKLLXUPUSA-N 0 0 530.445 3.794 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2)n1 ZINC000169694651 562865482 /nfs/dbraw/zinc/86/54/82/562865482.db2.gz FEUWQLUDYIFIPD-LBPRGKRZSA-N 0 0 520.015 3.592 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694652 562865480 /nfs/dbraw/zinc/86/54/80/562865480.db2.gz QYXRSOAMFKXRCU-LBPRGKRZSA-N 0 0 520.015 3.592 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(C)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694660 562865523 /nfs/dbraw/zinc/86/55/23/562865523.db2.gz CCKVIZBHVHATDV-ZDUSSCGKSA-N 0 0 534.042 3.901 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 ZINC000169694669 562865535 /nfs/dbraw/zinc/86/55/35/562865535.db2.gz YNMUPDMDSKNHHL-LBPRGKRZSA-N 0 0 552.032 3.906 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cc(C)cc(NS(C)(=O)=O)c2F)n1 ZINC000169694670 562865569 /nfs/dbraw/zinc/86/55/69/562865569.db2.gz RXVJOHHWPJUJPH-AWEZNQCLSA-N 0 0 531.614 3.561 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cccc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694671 562865513 /nfs/dbraw/zinc/86/55/13/562865513.db2.gz IIZZXZXCQPNFRH-ZDUSSCGKSA-N 0 0 534.042 3.767 1 0 KHAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2c(F)ccc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694691 562865615 /nfs/dbraw/zinc/86/56/15/562865615.db2.gz SODMQCPKFBKJIW-NSHDSACASA-N 0 0 538.005 3.732 1 0 KHAFRN CCCS(=O)(=O)Nc1cccc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694696 562865586 /nfs/dbraw/zinc/86/55/86/562865586.db2.gz ZXNBJUUFIKPXGS-AWEZNQCLSA-N 0 0 531.614 3.858 1 0 KHAFRN CCCS(=O)(=O)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694702 562865589 /nfs/dbraw/zinc/86/55/89/562865589.db2.gz LLHLMRMVHHVTLT-HNNXBMFYSA-N 0 0 513.624 3.719 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695109 562865714 /nfs/dbraw/zinc/86/57/14/562865714.db2.gz BNFWNIHEMYQOBE-DNQXCXABSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695110 562865661 /nfs/dbraw/zinc/86/56/61/562865661.db2.gz BNFWNIHEMYQOBE-BJKOFHAPSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695111 562865646 /nfs/dbraw/zinc/86/56/46/562865646.db2.gz BNFWNIHEMYQOBE-RPWUZVMVSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695112 562865641 /nfs/dbraw/zinc/86/56/41/562865641.db2.gz BNFWNIHEMYQOBE-ZEQRLZLVSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695113 562865701 /nfs/dbraw/zinc/86/57/01/562865701.db2.gz MILBEHPYZMEKGY-DNQXCXABSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695114 562865673 /nfs/dbraw/zinc/86/56/73/562865673.db2.gz MILBEHPYZMEKGY-BJKOFHAPSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695115 562865706 /nfs/dbraw/zinc/86/57/06/562865706.db2.gz MILBEHPYZMEKGY-RPWUZVMVSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695116 562865664 /nfs/dbraw/zinc/86/56/64/562865664.db2.gz MILBEHPYZMEKGY-ZEQRLZLVSA-N 0 0 532.574 3.841 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695117 562865683 /nfs/dbraw/zinc/86/56/83/562865683.db2.gz QPHUBOVRINGSEE-CLJLJLNGSA-N 0 0 512.518 3.877 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695118 562865771 /nfs/dbraw/zinc/86/57/71/562865771.db2.gz QPHUBOVRINGSEE-IZZNHLLZSA-N 0 0 512.518 3.877 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695119 562865725 /nfs/dbraw/zinc/86/57/25/562865725.db2.gz QPHUBOVRINGSEE-FTJBHMTQSA-N 0 0 512.518 3.877 1 0 KHAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695120 562865780 /nfs/dbraw/zinc/86/57/80/562865780.db2.gz QPHUBOVRINGSEE-UIOOFZCWSA-N 0 0 512.518 3.877 1 0 KHAFRN C[S@](=O)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695215 562865740 /nfs/dbraw/zinc/86/57/40/562865740.db2.gz MLSUHQFQPIWHPZ-VMWCVQKVSA-N 0 0 508.596 3.987 1 0 KHAFRN C[S@](=O)CCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695217 562865732 /nfs/dbraw/zinc/86/57/32/562865732.db2.gz MLSUHQFQPIWHPZ-ZDCHAMFHSA-N 0 0 508.596 3.987 1 0 KHAFRN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696246 562865923 /nfs/dbraw/zinc/86/59/23/562865923.db2.gz HESLXJADZGNEMT-JWQCQUIFSA-N 0 0 507.608 3.893 1 0 KHAFRN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696247 562865919 /nfs/dbraw/zinc/86/59/19/562865919.db2.gz HESLXJADZGNEMT-LOSJGSFVSA-N 0 0 507.608 3.893 1 0 KHAFRN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696248 562865947 /nfs/dbraw/zinc/86/59/47/562865947.db2.gz HESLXJADZGNEMT-RPBOFIJWSA-N 0 0 507.608 3.893 1 0 KHAFRN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696249 562865955 /nfs/dbraw/zinc/86/59/55/562865955.db2.gz HESLXJADZGNEMT-DQEYMECFSA-N 0 0 507.608 3.893 1 0 KHAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696365 562866013 /nfs/dbraw/zinc/86/60/13/562866013.db2.gz MKEQDRVBAFRSIA-DQEYMECFSA-N 0 0 502.571 3.770 1 0 KHAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696366 562866027 /nfs/dbraw/zinc/86/60/27/562866027.db2.gz MKEQDRVBAFRSIA-RPBOFIJWSA-N 0 0 502.571 3.770 1 0 KHAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696367 562866007 /nfs/dbraw/zinc/86/60/07/562866007.db2.gz MKEQDRVBAFRSIA-LOSJGSFVSA-N 0 0 502.571 3.770 1 0 KHAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696368 562866009 /nfs/dbraw/zinc/86/60/09/562866009.db2.gz MKEQDRVBAFRSIA-JWQCQUIFSA-N 0 0 502.571 3.770 1 0 KHAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696727 562866308 /nfs/dbraw/zinc/86/63/08/562866308.db2.gz OQUMQPXIQFTAHR-RPBOFIJWSA-N 0 0 502.567 3.818 1 0 KHAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696728 562866326 /nfs/dbraw/zinc/86/63/26/562866326.db2.gz OQUMQPXIQFTAHR-DQEYMECFSA-N 0 0 502.567 3.818 1 0 KHAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696729 562866324 /nfs/dbraw/zinc/86/63/24/562866324.db2.gz OQUMQPXIQFTAHR-JWQCQUIFSA-N 0 0 502.567 3.818 1 0 KHAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696730 562866299 /nfs/dbraw/zinc/86/62/99/562866299.db2.gz OQUMQPXIQFTAHR-LOSJGSFVSA-N 0 0 502.567 3.818 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1 ZINC000169697687 562866566 /nfs/dbraw/zinc/86/65/66/562866566.db2.gz PUMGQBCZZCQUKU-IBGZPJMESA-N 0 0 554.723 3.804 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1 ZINC000169697689 562866564 /nfs/dbraw/zinc/86/65/64/562866564.db2.gz PUMGQBCZZCQUKU-LJQANCHMSA-N 0 0 554.723 3.804 1 0 KHAFRN O=C(Nc1nnc(CCCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1)[C@@H](CO)c1ccccc1 ZINC000169697691 562866543 /nfs/dbraw/zinc/86/65/43/562866543.db2.gz ZAWUWTFMRWWRSC-SFTDATJTSA-N 0 0 566.709 3.774 1 0 KHAFRN O=C(Nc1nnc(CCCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)[C@@H](CO)c1ccccc1 ZINC000169697693 562866558 /nfs/dbraw/zinc/86/65/58/562866558.db2.gz ZAWUWTFMRWWRSC-OYRHEFFESA-N 0 0 566.709 3.774 1 0 KHAFRN O=C(Nc1nnc(CCCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)[C@H](CO)c1ccccc1 ZINC000169697695 562866550 /nfs/dbraw/zinc/86/65/50/562866550.db2.gz ZAWUWTFMRWWRSC-NHCUHLMSSA-N 0 0 566.709 3.774 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)s2)s1 ZINC000169697700 562866563 /nfs/dbraw/zinc/86/65/63/562866563.db2.gz FVJQWQHAIQOESJ-HNNXBMFYSA-N 0 0 599.686 3.581 1 0 KHAFRN O=C(COc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)COc3ccccc3)s2)s1 ZINC000169697720 562866570 /nfs/dbraw/zinc/86/65/70/562866570.db2.gz WDGOFPCZVSHQTR-UHFFFAOYSA-N 0 0 524.628 3.990 1 0 KHAFRN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)s2)s1 ZINC000169697725 562866579 /nfs/dbraw/zinc/86/65/79/562866579.db2.gz XSRFXEUSBRXHKV-KBPBESRZSA-N 0 0 630.819 3.611 1 0 KHAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)s1)[C@@H]1Cc2ccccc2O1 ZINC000169697726 562866572 /nfs/dbraw/zinc/86/65/72/562866572.db2.gz XNXJJAFCDASEPA-PMACEKPBSA-N 0 0 580.717 3.792 1 0 KHAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)s1)[C@H]1Cc2ccccc2O1 ZINC000169697727 562866583 /nfs/dbraw/zinc/86/65/83/562866583.db2.gz XNXJJAFCDASEPA-BGYRXZFFSA-N 0 0 580.717 3.792 1 0 KHAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)s1)[C@H]1Cc2ccccc2O1 ZINC000169697728 562866593 /nfs/dbraw/zinc/86/65/93/562866593.db2.gz XNXJJAFCDASEPA-WOJBJXKFSA-N 0 0 580.717 3.792 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)s1)[C@@H]1Cc2ccccc2O1 ZINC000169697729 562866576 /nfs/dbraw/zinc/86/65/76/562866576.db2.gz VGPATZUCCGZCGQ-PMACEKPBSA-N 0 0 548.650 3.839 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)s1)[C@H]1Cc2ccccc2O1 ZINC000169697730 562866587 /nfs/dbraw/zinc/86/65/87/562866587.db2.gz VGPATZUCCGZCGQ-BGYRXZFFSA-N 0 0 548.650 3.839 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)s1)[C@H]1Cc2ccccc2O1 ZINC000169697731 562866581 /nfs/dbraw/zinc/86/65/81/562866581.db2.gz VGPATZUCCGZCGQ-WOJBJXKFSA-N 0 0 548.650 3.839 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3COc4ccccc4O3)s2)s1)[C@@H]1COc2ccccc2O1 ZINC000169697732 562866585 /nfs/dbraw/zinc/86/65/85/562866585.db2.gz BJHRRHWWDISSHT-PMACEKPBSA-N 0 0 580.648 3.512 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3COc4ccccc4O3)s2)s1)[C@H]1COc2ccccc2O1 ZINC000169697733 562866573 /nfs/dbraw/zinc/86/65/73/562866573.db2.gz BJHRRHWWDISSHT-BGYRXZFFSA-N 0 0 580.648 3.512 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3COc4ccccc4O3)s2)s1)[C@H]1COc2ccccc2O1 ZINC000169697734 562866591 /nfs/dbraw/zinc/86/65/91/562866591.db2.gz BJHRRHWWDISSHT-WOJBJXKFSA-N 0 0 580.648 3.512 1 0 KHAFRN COc1ccc2c(c1)C[C@@H](C(=O)Nc1nnc(CCSCCc3nnc(NC(=O)[C@@H]4Cc5cc(OC)ccc5O4)s3)s1)O2 ZINC000169697857 562866672 /nfs/dbraw/zinc/86/66/72/562866672.db2.gz FWPGJIMJYWFMEM-VXKWHMMOSA-N 0 0 640.769 3.810 1 0 KHAFRN COc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(CCSCCc3nnc(NC(=O)[C@@H]4Cc5cc(OC)ccc5O4)s3)s1)O2 ZINC000169697858 562866661 /nfs/dbraw/zinc/86/66/61/562866661.db2.gz FWPGJIMJYWFMEM-SZPZYZBQSA-N 0 0 640.769 3.810 1 0 KHAFRN COc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(CCSCCc3nnc(NC(=O)[C@H]4Cc5cc(OC)ccc5O4)s3)s1)O2 ZINC000169697859 562866676 /nfs/dbraw/zinc/86/66/76/562866676.db2.gz FWPGJIMJYWFMEM-FGZHOGPDSA-N 0 0 640.769 3.810 1 0 KHAFRN COc1ccc2c(c1)C[C@@H](C(=O)Nc1nnc(CCCCc3nnc(NC(=O)[C@@H]4Cc5cc(OC)ccc5O4)s3)s1)O2 ZINC000169697869 562866658 /nfs/dbraw/zinc/86/66/58/562866658.db2.gz PPDZNAIXFGQIJP-VXKWHMMOSA-N 0 0 608.702 3.857 1 0 KHAFRN COc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(CCCCc3nnc(NC(=O)[C@@H]4Cc5cc(OC)ccc5O4)s3)s1)O2 ZINC000169697870 562866679 /nfs/dbraw/zinc/86/66/79/562866679.db2.gz PPDZNAIXFGQIJP-SZPZYZBQSA-N 0 0 608.702 3.857 1 0 KHAFRN COc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(CCCCc3nnc(NC(=O)[C@H]4Cc5cc(OC)ccc5O4)s3)s1)O2 ZINC000169697871 562866689 /nfs/dbraw/zinc/86/66/89/562866689.db2.gz PPDZNAIXFGQIJP-FGZHOGPDSA-N 0 0 608.702 3.857 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)CCN3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697968 562866793 /nfs/dbraw/zinc/86/67/93/562866793.db2.gz ZKQOJEAHEDTBEX-MEKGRNQZSA-N 0 0 835.022 3.931 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](COC(=O)CCN3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697969 562866760 /nfs/dbraw/zinc/86/67/60/562866760.db2.gz ZKQOJEAHEDTBEX-ACHIHNKUSA-N 0 0 835.022 3.931 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)CCN3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697970 562866787 /nfs/dbraw/zinc/86/67/87/562866787.db2.gz ZKQOJEAHEDTBEX-ROJLCIKYSA-N 0 0 835.022 3.931 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CO)c3cccs3)s2)s1)[C@@H](CO)c1cccs1 ZINC000169697974 562866790 /nfs/dbraw/zinc/86/67/90/562866790.db2.gz FQLQAQOMTPBKSN-KBPBESRZSA-N 0 0 564.740 3.507 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3cccs3)s2)s1)[C@@H](CO)c1cccs1 ZINC000169697975 562866797 /nfs/dbraw/zinc/86/67/97/562866797.db2.gz FQLQAQOMTPBKSN-OKILXGFUSA-N 0 0 564.740 3.507 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3cccs3)s2)s1)[C@H](CO)c1cccs1 ZINC000169697976 562866777 /nfs/dbraw/zinc/86/67/77/562866777.db2.gz FQLQAQOMTPBKSN-ZIAGYGMSSA-N 0 0 564.740 3.507 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(F)c3F)s2)s1)[C@@H](O)c1cccc(F)c1F ZINC000169698011 562866804 /nfs/dbraw/zinc/86/68/04/562866804.db2.gz JBWUDMXUCXUHTH-PMACEKPBSA-N 0 0 596.588 3.856 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(F)c3F)s2)s1)[C@H](O)c1cccc(F)c1F ZINC000169698012 562866801 /nfs/dbraw/zinc/86/68/01/562866801.db2.gz JBWUDMXUCXUHTH-BGYRXZFFSA-N 0 0 596.588 3.856 1 0 KHAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(F)c3F)s2)s1)[C@H](O)c1cccc(F)c1F ZINC000169698013 562866830 /nfs/dbraw/zinc/86/68/30/562866830.db2.gz JBWUDMXUCXUHTH-WOJBJXKFSA-N 0 0 596.588 3.856 1 0 KHAFRN COC(=O)[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](C(=O)OC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698025 562866832 /nfs/dbraw/zinc/86/68/32/562866832.db2.gz RSMLKEYTUPVVHX-SZPZYZBQSA-N 0 0 608.702 3.746 1 0 KHAFRN COC(=O)[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](C(=O)OC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698026 562866822 /nfs/dbraw/zinc/86/68/22/562866822.db2.gz RSMLKEYTUPVVHX-VXKWHMMOSA-N 0 0 608.702 3.746 1 0 KHAFRN COC(=O)[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C(=O)OC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698027 562866828 /nfs/dbraw/zinc/86/68/28/562866828.db2.gz RSMLKEYTUPVVHX-FGZHOGPDSA-N 0 0 608.702 3.746 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698032 562866820 /nfs/dbraw/zinc/86/68/20/562866820.db2.gz IYARYUXVHHNPBI-IZZNHLLZSA-N 0 0 693.852 3.657 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698033 562866835 /nfs/dbraw/zinc/86/68/35/562866835.db2.gz IYARYUXVHHNPBI-UIOOFZCWSA-N 0 0 693.852 3.657 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698034 562866837 /nfs/dbraw/zinc/86/68/37/562866837.db2.gz IYARYUXVHHNPBI-CLJLJLNGSA-N 0 0 693.852 3.657 1 0 KHAFRN O=C(CCN1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698035 562866871 /nfs/dbraw/zinc/86/68/71/562866871.db2.gz IYARYUXVHHNPBI-FTJBHMTQSA-N 0 0 693.852 3.657 1 0 KHAFRN CC(=O)NC[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](CNC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698043 562866859 /nfs/dbraw/zinc/86/68/59/562866859.db2.gz CXYDJWJJCHEFIW-PSWAGMNNSA-N 0 0 666.855 3.625 1 0 KHAFRN CC(=O)NC[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](CNC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698044 562866864 /nfs/dbraw/zinc/86/68/64/562866864.db2.gz CXYDJWJJCHEFIW-ZEQRLZLVSA-N 0 0 666.855 3.625 1 0 KHAFRN CC(=O)NC[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](CNC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698045 562866846 /nfs/dbraw/zinc/86/68/46/562866846.db2.gz CXYDJWJJCHEFIW-DNQXCXABSA-N 0 0 666.855 3.625 1 0 KHAFRN COC(=O)[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](C(=O)OC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698047 562866875 /nfs/dbraw/zinc/86/68/75/562866875.db2.gz NWAQHSVFNNFZCO-SZPZYZBQSA-N 0 0 640.769 3.699 1 0 KHAFRN COC(=O)[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](C(=O)OC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698048 562866857 /nfs/dbraw/zinc/86/68/57/562866857.db2.gz NWAQHSVFNNFZCO-VXKWHMMOSA-N 0 0 640.769 3.699 1 0 KHAFRN COC(=O)[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](C(=O)OC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698049 562866858 /nfs/dbraw/zinc/86/68/58/562866858.db2.gz NWAQHSVFNNFZCO-FGZHOGPDSA-N 0 0 640.769 3.699 1 0 KHAFRN O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1 ZINC000169698055 562866841 /nfs/dbraw/zinc/86/68/41/562866841.db2.gz PUDKTDVGIWAFBM-UHFFFAOYSA-N 0 0 783.015 3.692 1 0 KHAFRN N=C(CCCCc1nnc(NC(=O)Cc2cccc(OCCN3CCOCC3)c2)s1)SC(=N)NC(=O)Cc1cccc(OCCN2CCOCC2)c1 ZINC000169698056 562866876 /nfs/dbraw/zinc/86/68/76/562866876.db2.gz ZFSOQQMUMPFGAF-UHFFFAOYSA-N 0 0 752.964 3.858 1 0 KHAFRN COc1ccccc1CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3OC)s2)s1 ZINC000169698062 562866870 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562866921 /nfs/dbraw/zinc/86/69/21/562866921.db2.gz PQKUCZRIZNQNNA-DNQXCXABSA-N 0 0 634.788 3.672 1 0 KHAFRN O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1 ZINC000169698112 562866933 /nfs/dbraw/zinc/86/69/33/562866933.db2.gz SXVCXAZWDGLAFH-UHFFFAOYSA-N 0 0 768.988 3.650 1 0 KHAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)nn1 ZINC000169698197 562867021 /nfs/dbraw/zinc/86/70/21/562867021.db2.gz HQZPSEQEPZPSJV-QFIPXVFZSA-N 0 0 516.627 3.789 1 0 KHAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)nn1 ZINC000169698198 562867020 /nfs/dbraw/zinc/86/70/20/562867020.db2.gz HQZPSEQEPZPSJV-JOCHJYFZSA-N 0 0 516.627 3.789 1 0 KHAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3ccccc3)s2)nn1 ZINC000169698199 562866992 /nfs/dbraw/zinc/86/69/92/562866992.db2.gz HFZZPNIXRJVESQ-DEOSSOPVSA-N 0 0 502.600 3.747 1 0 KHAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)nn1 ZINC000169698200 562867006 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ODMBBLRKNUJWJY-UHFFFAOYSA-N 0 0 522.656 3.810 1 0 KHAFRN O=C(Cc1cccc(O)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698231 562867044 /nfs/dbraw/zinc/86/70/44/562867044.db2.gz IHLDZSVHYJEXBF-UHFFFAOYSA-N 0 0 502.600 3.962 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccnc3)s2)s1 ZINC000169698240 562867055 /nfs/dbraw/zinc/86/70/55/562867055.db2.gz CAHKLJZDGQJQJR-UHFFFAOYSA-N 0 0 525.685 3.665 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccn3)s2)s1 ZINC000169698252 562867037 /nfs/dbraw/zinc/86/70/37/562867037.db2.gz KEUYANGPFAJZOU-UHFFFAOYSA-N 0 0 525.685 3.665 1 0 KHAFRN COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccccn4)s3)s2)c1 ZINC000169698253 562867043 /nfs/dbraw/zinc/86/70/43/562867043.db2.gz BWTGDJWWLZSIRM-UHFFFAOYSA-N 0 0 555.711 3.674 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)[C@@H](O)c3ccccc3)nn2)s1 ZINC000169698258 562867094 /nfs/dbraw/zinc/86/70/94/562867094.db2.gz MDEBNBJYWXQSKS-DEOSSOPVSA-N 0 0 502.600 3.747 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)[C@H](O)c3ccccc3)nn2)s1 ZINC000169698259 562867099 /nfs/dbraw/zinc/86/70/99/562867099.db2.gz MDEBNBJYWXQSKS-XMMPIXPASA-N 0 0 502.600 3.747 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3ccccn3)s2)s1 ZINC000169698269 562867072 /nfs/dbraw/zinc/86/70/72/562867072.db2.gz HUUXCMXLNYEITB-UHFFFAOYSA-N 0 0 511.658 3.623 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)[C@@H](O)c3ccccc3)s2)s1 ZINC000169698274 562867076 /nfs/dbraw/zinc/86/70/76/562867076.db2.gz VFPMOMFVNWQOAB-FQEVSTJZSA-N 0 0 526.669 3.719 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1 ZINC000169698275 562867066 /nfs/dbraw/zinc/86/70/66/562867066.db2.gz RFUSVUAKNAMPQU-UHFFFAOYSA-N 0 0 639.829 3.939 1 0 KHAFRN O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698278 562867090 /nfs/dbraw/zinc/86/70/90/562867090.db2.gz AIRSHCVPEWUDPC-UHFFFAOYSA-N 0 0 615.760 3.967 1 0 KHAFRN Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698307 562867126 /nfs/dbraw/zinc/86/71/26/562867126.db2.gz UZXWCQIJFYAABS-UHFFFAOYSA-N 0 0 501.616 3.838 1 0 KHAFRN O=C(Cc1cccc(OCCO)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698329 562867156 /nfs/dbraw/zinc/86/71/56/562867156.db2.gz QTVOABFGVHHUDY-UHFFFAOYSA-N 0 0 546.653 3.627 1 0 KHAFRN CN(C)CC(=O)Nc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1 ZINC000169698332 562867161 /nfs/dbraw/zinc/86/71/61/562867161.db2.gz NHZOHTYPYZGDDI-UHFFFAOYSA-N 0 0 586.722 3.756 1 0 KHAFRN CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698333 562867148 /nfs/dbraw/zinc/86/71/48/562867148.db2.gz QQNDECNIUGFRIN-UHFFFAOYSA-N 0 0 557.680 3.892 1 0 KHAFRN O=C(Cc1cccc(NC(=O)CN2CCOCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698344 562867159 /nfs/dbraw/zinc/86/71/59/562867159.db2.gz WWBFWKSULCUASF-UHFFFAOYSA-N 0 0 628.759 3.527 1 0 KHAFRN CC(=O)NCCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698364 562867180 /nfs/dbraw/zinc/86/71/80/562867180.db2.gz CFVSUIRMZKFFMB-UHFFFAOYSA-N 0 0 571.707 3.935 1 0 KHAFRN CN(C)CC(=O)Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698367 562867199 /nfs/dbraw/zinc/86/71/99/562867199.db2.gz YVZFLNZFALFTHC-UHFFFAOYSA-N 0 0 586.722 3.756 1 0 KHAFRN CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)c4ccccc4)c3)s2)nn1 ZINC000169698370 562867191 /nfs/dbraw/zinc/86/71/91/562867191.db2.gz YFEJASVCZHYMRI-UHFFFAOYSA-N 0 0 543.653 3.963 1 0 KHAFRN CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)CC(C)C)c3)s2)nn1 ZINC000169698371 562867174 /nfs/dbraw/zinc/86/71/74/562867174.db2.gz DQRGAXNSKTVQLJ-UHFFFAOYSA-N 0 0 523.663 3.695 1 0 KHAFRN CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)Cc4ccccc4)c3)s2)nn1 ZINC000169698372 562867187 /nfs/dbraw/zinc/86/71/87/562867187.db2.gz RWUFSPKGOLZCOZ-UHFFFAOYSA-N 0 0 557.680 3.892 1 0 KHAFRN Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)c4ccccc4)c3)s2)nn1 ZINC000169698373 562867176 /nfs/dbraw/zinc/86/71/76/562867176.db2.gz YSTNOBJVCCCMHX-UHFFFAOYSA-N 0 0 501.616 3.587 1 0 KHAFRN CN(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698386 562867177 /nfs/dbraw/zinc/86/71/77/562867177.db2.gz FYIIVYTZTZTDPF-UHFFFAOYSA-N 0 0 571.707 3.887 1 0 KHAFRN CN(C)CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)s2)nn1 ZINC000169698391 562867204 /nfs/dbraw/zinc/86/72/04/562867204.db2.gz FMYDPFQBTCIOCZ-UHFFFAOYSA-N 0 0 582.731 3.600 1 0 KHAFRN CN1CCN(C(=O)c2cccc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2)CC1 ZINC000169698404 562867216 /nfs/dbraw/zinc/86/72/16/562867216.db2.gz BRUXQOQOTDRIDS-UHFFFAOYSA-N 0 0 612.760 3.644 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OCCO)c3)nn2)s1 ZINC000169698416 562867219 /nfs/dbraw/zinc/86/72/19/562867219.db2.gz JMYXLZZTVHSGMA-UHFFFAOYSA-N 0 0 546.653 3.627 1 0 KHAFRN CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)[C@@](O)(CO)c4ccccc4)nn3)s2)c1 ZINC000169698422 562867208 /nfs/dbraw/zinc/86/72/08/562867208.db2.gz GTXBFENOCGHBQR-MGBGTMOVSA-N 0 0 661.785 3.918 1 0 KHAFRN CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)[C@](O)(CO)c4ccccc4)nn3)s2)c1 ZINC000169698423 562867257 /nfs/dbraw/zinc/86/72/57/562867257.db2.gz GTXBFENOCGHBQR-XIFFEERXSA-N 0 0 661.785 3.918 1 0 KHAFRN CC(C)(O)CNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698432 562867248 /nfs/dbraw/zinc/86/72/48/562867248.db2.gz QMWLIBHWCPGVGC-UHFFFAOYSA-N 0 0 615.760 3.686 1 0 KHAFRN O=C(Cc1ccc(F)c(OCCO)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698454 562867285 /nfs/dbraw/zinc/86/72/85/562867285.db2.gz BDDHQEJVEAQMBV-UHFFFAOYSA-N 0 0 564.643 3.766 1 0 KHAFRN COc1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1O ZINC000169698472 562867296 /nfs/dbraw/zinc/86/72/96/562867296.db2.gz HJZQPVFBKAEIFL-UHFFFAOYSA-N 0 0 532.626 3.970 1 0 KHAFRN COC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(CNC(=O)OC)c4)nn3)s2)c1 ZINC000169698503 562867311 /nfs/dbraw/zinc/86/73/11/562867311.db2.gz OODJPFHOUMNNJM-UHFFFAOYSA-N 0 0 660.757 3.968 1 0 KHAFRN CC[C@@H](O)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698506 562867330 /nfs/dbraw/zinc/86/73/30/562867330.db2.gz REKMRYMBNHTHBL-RUZDIDTESA-N 0 0 601.733 3.643 1 0 KHAFRN CC[C@H](O)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698507 562867315 /nfs/dbraw/zinc/86/73/15/562867315.db2.gz REKMRYMBNHTHBL-VWLOTQADSA-N 0 0 601.733 3.643 1 0 KHAFRN COc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1O ZINC000169698518 562867314 /nfs/dbraw/zinc/86/73/14/562867314.db2.gz OPQOMOONTWDXFY-UHFFFAOYSA-N 0 0 532.626 3.970 1 0 KHAFRN COC(=O)Cc1cccc(OCC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698656 562867427 /nfs/dbraw/zinc/86/74/27/562867427.db2.gz CBPYJWDBHMWSJV-UHFFFAOYSA-N 0 0 574.663 3.808 1 0 KHAFRN CS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698665 562867460 /nfs/dbraw/zinc/86/74/60/562867460.db2.gz HFDCKLZYGJKGBC-UHFFFAOYSA-N 0 0 578.720 3.801 1 0 KHAFRN CS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698666 562867451 /nfs/dbraw/zinc/86/74/51/562867451.db2.gz LDESLTRONKVTHF-UHFFFAOYSA-N 0 0 578.720 3.801 1 0 KHAFRN Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N[C@@H](CCC(=O)OCCO)C(=O)OCCO)c[nH]4)c3)cc2F)c1 ZINC000169699244 562867529 /nfs/dbraw/zinc/86/75/29/562867529.db2.gz MXHARJFTRSMDLN-MHZLTWQESA-N 0 0 663.659 3.910 1 0 KHAFRN CC(=O)N[C@@]1(C)CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1 ZINC000169699429 562867581 /nfs/dbraw/zinc/86/75/81/562867581.db2.gz ICJZECBILDBROB-QHCPKHFHSA-N 0 0 503.579 3.541 1 0 KHAFRN CC(=O)N[C@]1(C)CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1 ZINC000169699430 562867597 /nfs/dbraw/zinc/86/75/97/562867597.db2.gz ICJZECBILDBROB-HSZRJFAPSA-N 0 0 503.579 3.541 1 0 KHAFRN Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000169699451 562867598 /nfs/dbraw/zinc/86/75/98/562867598.db2.gz PPLAKJPFNVICKG-FQEVSTJZSA-N 0 0 516.496 3.940 1 0 KHAFRN Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000169699452 562867585 /nfs/dbraw/zinc/86/75/85/562867585.db2.gz PPLAKJPFNVICKG-HXUWFJFHSA-N 0 0 516.496 3.940 1 0 KHAFRN CS(=O)(=O)[N-]C(=O)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700258 562867669 /nfs/dbraw/zinc/86/76/69/562867669.db2.gz AVQYUHKLFSSGRH-MFSJNOQSSA-N 0 0 540.444 3.857 1 0 KHAFRN O=C(NCc1nnn[n-]1)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700260 562867647 /nfs/dbraw/zinc/86/76/47/562867647.db2.gz YDDSTBSWKZWEBC-PIBDYAPNSA-N 0 0 544.418 3.610 1 0 KHAFRN Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000169700805 562867760 /nfs/dbraw/zinc/86/77/60/562867760.db2.gz VRLVRCNVLNMKSO-UHFFFAOYSA-N 0 0 501.595 3.761 1 0 KHAFRN Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000169700806 562867739 /nfs/dbraw/zinc/86/77/39/562867739.db2.gz YTPYSGUPKUWEQI-UHFFFAOYSA-N 0 0 514.638 3.507 1 0 KHAFRN COc1cc(CN2CCCC23COC3)ccc1OC1CN(C(=O)c2nnc(-c3ccc(C(F)F)cc3)o2)C1 ZINC000169701437 562868030 /nfs/dbraw/zinc/86/80/30/562868030.db2.gz AOUVKOSBHGGHLV-UHFFFAOYSA-N 0 0 526.540 3.951 1 0 KHAFRN COc1cc(OC2CN(C(=O)c3nnc(-c4ccc(C(F)F)cc4)o3)C2)ccc1CN1CCCC12COC2 ZINC000169701438 562868067 /nfs/dbraw/zinc/86/80/67/562868067.db2.gz DUESALZBIYFLJJ-UHFFFAOYSA-N 0 0 526.540 3.951 1 0 KHAFRN CC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 ZINC000169701905 562868162 /nfs/dbraw/zinc/86/81/62/562868162.db2.gz BPLHFHBQYHJDRR-UHFFFAOYSA-N 0 0 515.496 3.659 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CN1c1cc(C)nn1C1CCC1)C(=O)C(=O)NC1CC1 ZINC000169702090 562868122 /nfs/dbraw/zinc/86/81/22/562868122.db2.gz LKKLTPUNQSFPCU-HJNYFJLDSA-N 0 0 688.567 3.862 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702091 562868120 /nfs/dbraw/zinc/86/81/20/562868120.db2.gz DEKMUSVVANPFAA-NHTMILBNSA-N 0 0 634.582 3.601 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2Cl)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1)C(=O)C(=O)NC1CC1 ZINC000169702092 562868140 /nfs/dbraw/zinc/86/81/40/562868140.db2.gz FBALKZAVEMIILY-COPCDDAFSA-N 0 0 737.556 3.686 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702098 562868178 /nfs/dbraw/zinc/86/81/78/562868178.db2.gz NRLBGKWSOSYHJM-NHTMILBNSA-N 0 0 679.033 3.710 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(I)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702100 562868175 /nfs/dbraw/zinc/86/81/75/562868175.db2.gz YYVYNDITYXLIBI-NHTMILBNSA-N 0 0 726.033 3.552 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1)C(=O)C(=O)NC1CC1 ZINC000169702102 562868182 /nfs/dbraw/zinc/86/81/82/562868182.db2.gz UZEXNMTYYWVDSE-COPCDDAFSA-N 0 0 687.112 3.501 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702103 562868170 /nfs/dbraw/zinc/86/81/70/562868170.db2.gz MCYQKGNJBOSMKC-PUHATCMVSA-N 0 0 654.107 3.576 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702104 562868168 /nfs/dbraw/zinc/86/81/68/562868168.db2.gz HEIHTFALJDNKRT-NHTMILBNSA-N 0 0 668.134 3.966 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702109 562868172 /nfs/dbraw/zinc/86/81/72/562868172.db2.gz BHVRFNJEHAGAIV-VJTSUQJLSA-N 0 0 648.609 3.847 1 0 KHAFRN CCCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000169702111 562868173 /nfs/dbraw/zinc/86/81/73/562868173.db2.gz PRXSBSULBZNTRC-NHTMILBNSA-N 0 0 636.598 3.849 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702119 562868188 /nfs/dbraw/zinc/86/81/88/562868188.db2.gz JEBQNHANRCYVLC-PUHATCMVSA-N 0 0 655.000 3.864 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC(C)C ZINC000169702122 562868179 /nfs/dbraw/zinc/86/81/79/562868179.db2.gz HDQBKIWKLLGTGO-NHTMILBNSA-N 0 0 636.598 3.847 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)N(C)C1CC1 ZINC000169702126 562868196 /nfs/dbraw/zinc/86/81/96/562868196.db2.gz WDKJLZLHASBIGD-VJTSUQJLSA-N 0 0 648.609 3.943 1 0 KHAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702127 562868184 /nfs/dbraw/zinc/86/81/84/562868184.db2.gz VZJRPBWJESTYLV-NHTMILBNSA-N 0 0 652.572 3.740 1 0 KHAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NCC(C)C ZINC000169702134 562868207 /nfs/dbraw/zinc/86/82/07/562868207.db2.gz YBSWDIITMXRJIB-NHTMILBNSA-N 0 0 636.598 3.705 1 0 KHAFRN CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1 ZINC000169702140 562868223 /nfs/dbraw/zinc/86/82/23/562868223.db2.gz LGACDLUVLNDBOB-OIBXWCBGSA-N 0 0 669.603 3.773 1 0 KHAFRN COc1cc(C(=O)NC2CCN(CC(N)=O)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702436 562868360 /nfs/dbraw/zinc/86/83/60/562868360.db2.gz JCHTWNXVTQEIJH-UHFFFAOYSA-N 0 0 601.111 3.728 1 0 KHAFRN CCOc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702499 562868413 /nfs/dbraw/zinc/86/84/13/562868413.db2.gz JDSBSZUXTUNTSA-UHFFFAOYSA-N 0 0 573.723 3.790 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccccn1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702522 562868423 /nfs/dbraw/zinc/86/84/23/562868423.db2.gz VUQFLLHKEHVXNH-ABYGYWHVSA-N 0 0 674.662 3.762 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1cccnc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702523 562868412 /nfs/dbraw/zinc/86/84/12/562868412.db2.gz VJPQMQXQFZDKBK-LITSAYRRSA-N 0 0 674.662 3.762 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702525 562868438 /nfs/dbraw/zinc/86/84/38/562868438.db2.gz XLXXANFLAQQIII-LITSAYRRSA-N 0 0 674.662 3.762 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702526 562868437 /nfs/dbraw/zinc/86/84/37/562868437.db2.gz XLXXANFLAQQIII-WNJJXGMVSA-N 0 0 674.662 3.762 1 0 KHAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1=C(Br)CCC=C1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000169702539 562868461 /nfs/dbraw/zinc/86/84/61/562868461.db2.gz KJFYYEJRLBTTOZ-LSYYVWMOSA-N 0 0 727.719 3.551 1 0 KHAFRN Cc1ncccc1C(=O)N[C@@H](Cc1ccccc1Cl)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000169702545 562868472 /nfs/dbraw/zinc/86/84/72/562868472.db2.gz VWFCGPDCZUBCER-YZNIXAGQSA-N 0 0 644.238 3.961 1 0 KHAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1cccc(CNS(C)(=O)=O)c1 ZINC000169703308 562868724 /nfs/dbraw/zinc/86/87/24/562868724.db2.gz WPENNJLLXZGIMX-QGZVFWFLSA-N 0 0 512.598 3.806 1 0 KHAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1cccc(CNS(C)(=O)=O)c1 ZINC000169703309 562868701 /nfs/dbraw/zinc/86/87/01/562868701.db2.gz WPENNJLLXZGIMX-KRWDZBQOSA-N 0 0 512.598 3.806 1 0 KHAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CNS(C)(=O)=O)cc1 ZINC000169703314 562868712 /nfs/dbraw/zinc/86/87/12/562868712.db2.gz PGNWYVDOCVWIJH-QGZVFWFLSA-N 0 0 512.598 3.806 1 0 KHAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CNS(C)(=O)=O)cc1 ZINC000169703315 562868740 /nfs/dbraw/zinc/86/87/40/562868740.db2.gz PGNWYVDOCVWIJH-KRWDZBQOSA-N 0 0 512.598 3.806 1 0 KHAFRN CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(F)c2)CC1 ZINC000169703316 562868728 /nfs/dbraw/zinc/86/87/28/562868728.db2.gz NAXMRUCVDLYTPD-UHFFFAOYSA-N 0 0 517.549 3.847 1 0 KHAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC1)c1ccc(CNS(C)(=O)=O)c(Cl)c1 ZINC000169703317 562868706 /nfs/dbraw/zinc/86/87/06/562868706.db2.gz LIVGIEWMGKYQDQ-CQSZACIVSA-N 0 0 518.989 3.823 1 0 KHAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC1)c1ccc(CNS(C)(=O)=O)c(Cl)c1 ZINC000169703318 562868734 /nfs/dbraw/zinc/86/87/34/562868734.db2.gz LIVGIEWMGKYQDQ-AWEZNQCLSA-N 0 0 518.989 3.823 1 0 KHAFRN COc1cc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1CNS(C)(=O)=O ZINC000169703323 562868714 /nfs/dbraw/zinc/86/87/14/562868714.db2.gz OFMHYOSDMXOYHQ-UHFFFAOYSA-N 0 0 529.585 3.716 1 0 KHAFRN CCS(=O)(=O)NCc1ccc([C@@H](C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F ZINC000169703328 562868713 /nfs/dbraw/zinc/86/87/13/562868713.db2.gz HDAZZIHJSYAMFR-OAHLLOKOSA-N 0 0 516.561 3.699 1 0 KHAFRN CCS(=O)(=O)NCc1ccc([C@H](C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F ZINC000169703329 562868710 /nfs/dbraw/zinc/86/87/10/562868710.db2.gz HDAZZIHJSYAMFR-HNNXBMFYSA-N 0 0 516.561 3.699 1 0 KHAFRN Cc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000169703427 562868771 /nfs/dbraw/zinc/86/87/71/562868771.db2.gz SRRVKQCLYMFCSV-UHFFFAOYSA-N 0 0 523.677 3.721 1 0 KHAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C(=O)c4cc(=O)[nH]c(=O)[nH]4)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703493 562868809 /nfs/dbraw/zinc/86/88/09/562868809.db2.gz RHCQNZPGQCKCHY-UHFFFAOYSA-N 0 0 643.708 3.951 1 0 KHAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-n4ccnc4)c3)c12 ZINC000169703503 562868814 /nfs/dbraw/zinc/86/88/14/562868814.db2.gz HYLMTMYNCWOTDQ-UHFFFAOYSA-N 0 0 525.617 3.730 1 0 KHAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-c4cn[nH]c4)c3)c12 ZINC000169703506 562868812 /nfs/dbraw/zinc/86/88/12/562868812.db2.gz KJPNITRCLNYQEZ-UHFFFAOYSA-N 0 0 525.617 3.934 1 0 KHAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NCC(F)F)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703518 562868807 /nfs/dbraw/zinc/86/88/07/562868807.db2.gz YDDKOWXNBQYCLW-UHFFFAOYSA-N 0 0 505.533 3.906 1 0 KHAFRN CC(C)c1nn(-c2ccc(C(N)=O)cc2NCC(F)F)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703524 562868792 /nfs/dbraw/zinc/86/87/92/562868792.db2.gz UCOYPGGEJYAGCF-UHFFFAOYSA-N 0 0 505.533 3.906 1 0 KHAFRN CC(C)Nc1cc(-n2nc(C(F)(F)F)c3c2nccc3-n2cnc(-c3cnn(C)c3)c2)ccc1C(N)=O ZINC000169703563 562868816 /nfs/dbraw/zinc/86/88/16/562868816.db2.gz BBVYKUZNHOUACG-UHFFFAOYSA-N 0 0 509.496 3.945 1 0 KHAFRN CCCNc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c1nccc2-n1cnc(-c2cnn(C)c2)c1 ZINC000169703565 562868819 /nfs/dbraw/zinc/86/88/19/562868819.db2.gz GOAWHQVMFVKWHF-UHFFFAOYSA-N 0 0 509.496 3.946 1 0 KHAFRN CC(C)Nc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c1nccc2-n1cnc(-c2cnn(C)c2)c1 ZINC000169703566 562868808 /nfs/dbraw/zinc/86/88/08/562868808.db2.gz ZUQHDDNDFPHDGC-UHFFFAOYSA-N 0 0 509.496 3.945 1 0 KHAFRN Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3NCC(F)F)cn2)cn1 ZINC000169703569 562868796 /nfs/dbraw/zinc/86/87/96/562868796.db2.gz KUXZBBWJDDQERV-UHFFFAOYSA-N 0 0 531.449 3.801 1 0 KHAFRN Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3Br)cn2)cn1 ZINC000169703574 562868832 /nfs/dbraw/zinc/86/88/32/562868832.db2.gz YNJOHVPEZAZQCE-UHFFFAOYSA-N 0 0 531.296 3.887 1 0 KHAFRN CC1(C)CN(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)c3cccnc3NC2=O)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000169703593 562868853 /nfs/dbraw/zinc/86/88/53/562868853.db2.gz YSPLXBLCPIVGCZ-QVWWMRLHSA-N 0 0 517.633 3.940 1 0 KHAFRN C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)nc2n1 ZINC000169704095 562868902 /nfs/dbraw/zinc/86/89/02/562868902.db2.gz IURZCUCAJQJUQB-OAQYLSRUSA-N 0 0 514.634 3.753 1 0 KHAFRN CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3c(F)c(Cl)ccc32)cc1F ZINC000169704436 562868961 /nfs/dbraw/zinc/86/89/61/562868961.db2.gz XVZQQMZAZPDIJK-MRXNPFEDSA-N 0 0 509.909 3.991 1 0 KHAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(C(=O)N5CCOCC5)n4)ccn32)c1 ZINC000169704684 562869057 /nfs/dbraw/zinc/86/90/57/562869057.db2.gz GEQGHWNTAPHVFL-UHFFFAOYSA-N 0 0 525.491 3.615 1 0 KHAFRN CS(=O)(=O)Nc1nc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)ncc1F ZINC000169704721 562869153 /nfs/dbraw/zinc/86/91/53/562869153.db2.gz UECMCQUYFRUDBW-UHFFFAOYSA-N 0 0 523.472 3.653 1 0 KHAFRN COCCOc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn32)c1 ZINC000169704727 562869123 /nfs/dbraw/zinc/86/91/23/562869123.db2.gz INZWQYHHQXPVDZ-UHFFFAOYSA-N 0 0 519.459 3.889 1 0 KHAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N([C@@H]2CCC(=O)N(C)C2)C3=O)c(OC)n1 ZINC000169705523 562869437 /nfs/dbraw/zinc/86/94/37/562869437.db2.gz YRPAOUCIGFSOET-DYESRHJHSA-N 0 0 525.009 3.758 1 0 KHAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N([C@@H]2CCC(=O)N(C)C2)C3=O)c(OC)n1 ZINC000169705524 562869421 /nfs/dbraw/zinc/86/94/21/562869421.db2.gz YRPAOUCIGFSOET-UTKZUKDTSA-N 0 0 525.009 3.758 1 0 KHAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N([C@H]2CCC(=O)N(C)C2)C3=O)c(OC)n1 ZINC000169705525 562869412 /nfs/dbraw/zinc/86/94/12/562869412.db2.gz YRPAOUCIGFSOET-LAUBAEHRSA-N 0 0 525.009 3.758 1 0 KHAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N([C@H]2CCC(=O)N(C)C2)C3=O)c(OC)n1 ZINC000169705526 562869428 /nfs/dbraw/zinc/86/94/28/562869428.db2.gz YRPAOUCIGFSOET-UWJYYQICSA-N 0 0 525.009 3.758 1 0 KHAFRN CNC(=O)N1CCC(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169705591 562869495 /nfs/dbraw/zinc/86/94/95/562869495.db2.gz KICKGPNYIUHOAY-NRFANRHFSA-N 0 0 554.051 3.941 1 0 KHAFRN CNC(=O)N1CCC(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169705592 562869475 /nfs/dbraw/zinc/86/94/75/562869475.db2.gz KICKGPNYIUHOAY-OAQYLSRUSA-N 0 0 554.051 3.941 1 0 KHAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CN(C)C(=O)N(C)C1)C2=O ZINC000169705603 562869505 /nfs/dbraw/zinc/86/95/05/562869505.db2.gz MRCOWWDJETYBCS-OAQYLSRUSA-N 0 0 553.067 3.560 1 0 KHAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(C1CN(C)C(=O)N(C)C1)C2=O ZINC000169705604 562869513 /nfs/dbraw/zinc/86/95/13/562869513.db2.gz MRCOWWDJETYBCS-NRFANRHFSA-N 0 0 553.067 3.560 1 0 KHAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(C2CN(C)C(=O)N(C)C2)C3=O)c(OC)n1 ZINC000169705629 562869508 /nfs/dbraw/zinc/86/95/08/562869508.db2.gz VHLPRULBEFEIGL-HXUWFJFHSA-N 0 0 540.024 3.503 1 0 KHAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(C2CN(C)C(=O)N(C)C2)C3=O)c(OC)n1 ZINC000169705630 562869528 /nfs/dbraw/zinc/86/95/28/562869528.db2.gz VHLPRULBEFEIGL-FQEVSTJZSA-N 0 0 540.024 3.503 1 0 KHAFRN COc1nc(N2CC(O)C2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705715 562869608 /nfs/dbraw/zinc/86/96/08/562869608.db2.gz JVTOZHREATWNCG-JOCHJYFZSA-N 0 0 596.475 3.866 1 0 KHAFRN COc1nc(N2CC(O)C2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705716 562869597 /nfs/dbraw/zinc/86/95/97/562869597.db2.gz JVTOZHREATWNCG-QFIPXVFZSA-N 0 0 596.475 3.866 1 0 KHAFRN Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(Cl)c(F)c1 ZINC000169706089 562869887 /nfs/dbraw/zinc/86/98/87/562869887.db2.gz WPHAWSOFZZNEJI-MRXNPFEDSA-N 0 0 530.029 3.627 1 0 KHAFRN Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(Cl)c(F)c1 ZINC000169706090 562869893 /nfs/dbraw/zinc/86/98/93/562869893.db2.gz WPHAWSOFZZNEJI-INIZCTEOSA-N 0 0 530.029 3.627 1 0 KHAFRN Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706100 562869869 /nfs/dbraw/zinc/86/98/69/562869869.db2.gz PNSOPMMKOBFTOC-OAQYLSRUSA-N 0 0 517.659 3.712 1 0 KHAFRN Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706101 562869879 /nfs/dbraw/zinc/86/98/79/562869879.db2.gz PNSOPMMKOBFTOC-NRFANRHFSA-N 0 0 517.659 3.712 1 0 KHAFRN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCS(=O)(=O)CC4)ccn32)n1 ZINC000169706571 562869853 /nfs/dbraw/zinc/86/98/53/562869853.db2.gz ILXAUJNLBADWCC-UHFFFAOYSA-N 0 0 599.717 3.675 1 0 KHAFRN CCOC(=O)CN1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000169706725 562869901 /nfs/dbraw/zinc/86/99/01/562869901.db2.gz ATJYDIOQFNWQJX-UHFFFAOYSA-N 0 0 514.634 3.914 1 0 KHAFRN COC(=O)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000169706921 562869913 /nfs/dbraw/zinc/86/99/13/562869913.db2.gz JSMQRWBYWSIQRV-UHFFFAOYSA-N 0 0 500.607 3.965 1 0 KHAFRN COc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707333 562869916 /nfs/dbraw/zinc/86/99/16/562869916.db2.gz OCXCDEMAFCCJNN-INIZCTEOSA-N 0 0 506.456 3.841 1 0 KHAFRN COCCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707341 562869955 /nfs/dbraw/zinc/86/99/55/562869955.db2.gz QQHWAEFKDFYBCK-SFHVURJKSA-N 0 0 550.509 3.857 1 0 KHAFRN COCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707358 562869964 /nfs/dbraw/zinc/86/99/64/562869964.db2.gz RSMDCZAQPHROAV-IBGZPJMESA-N 0 0 532.519 3.718 1 0 KHAFRN COCCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707370 562869948 /nfs/dbraw/zinc/86/99/48/562869948.db2.gz LLJHTDUIXXMSMJ-SFHVURJKSA-N 0 0 550.509 3.857 1 0 KHAFRN COc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1F ZINC000169707387 562869959 /nfs/dbraw/zinc/86/99/59/562869959.db2.gz FVJVTDLVCUXTHW-INIZCTEOSA-N 0 0 506.456 3.841 1 0 KHAFRN COCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1F ZINC000169707390 562869982 /nfs/dbraw/zinc/86/99/82/562869982.db2.gz BCTWVLFGUGQWMV-SFHVURJKSA-N 0 0 550.509 3.857 1 0 KHAFRN COCc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707396 562869992 /nfs/dbraw/zinc/86/99/92/562869992.db2.gz QQPDGYFIPGBYMC-IBGZPJMESA-N 0 0 502.493 3.839 1 0 KHAFRN COCCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707421 562869970 /nfs/dbraw/zinc/86/99/70/562869970.db2.gz UBQJZFHYWUORHS-HNNXBMFYSA-N 0 0 522.455 3.677 1 0 KHAFRN COc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707425 562869979 /nfs/dbraw/zinc/86/99/79/562869979.db2.gz MZHPMYKUIGDYMZ-INIZCTEOSA-N 0 0 506.456 3.841 1 0 KHAFRN COc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707430 562869984 /nfs/dbraw/zinc/86/99/84/562869984.db2.gz XOLUYGMMOWDPGG-INIZCTEOSA-N 0 0 506.456 3.841 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H]1CCCN1C(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000169707532 562870013 /nfs/dbraw/zinc/87/00/13/562870013.db2.gz OFLPGWWOQOMMAK-QFIPXVFZSA-N 0 0 585.434 3.905 1 0 KHAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H]1CCCN1C(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000169707533 562870035 /nfs/dbraw/zinc/87/00/35/562870035.db2.gz OFLPGWWOQOMMAK-JOCHJYFZSA-N 0 0 585.434 3.905 1 0 KHAFRN CC(C)n1ncc(CC(=O)Nc2cncc(C(=O)c3cn([C@H](C)CO)c4ncncc34)c2)c1C(F)(F)F ZINC000169707762 562870164 /nfs/dbraw/zinc/87/01/64/562870164.db2.gz HOOFLBASDORODR-CQSZACIVSA-N 0 0 515.496 3.588 1 0 KHAFRN CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnc(N)nc21 ZINC000169707815 562870138 /nfs/dbraw/zinc/87/01/38/562870138.db2.gz RAGPCYDATONJQW-UHFFFAOYSA-N 0 0 512.492 3.567 1 0 KHAFRN CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Br)cn3)c2)c2cnc(N)nc21 ZINC000169708038 562870197 /nfs/dbraw/zinc/87/01/97/562870197.db2.gz LPBYIOFEQPALRY-UHFFFAOYSA-N 0 0 508.380 3.733 1 0 KHAFRN Cc1c(C(=O)NCCO)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CNC(=O)OC(C)(C)C)c12 ZINC000169708345 562870293 /nfs/dbraw/zinc/87/02/93/562870293.db2.gz UAGUMMLHPQJZQX-ZDUSSCGKSA-N 0 0 519.599 3.897 1 0 KHAFRN Cc1c(C(=O)NCCO)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CNC(=O)OC(C)(C)C)c12 ZINC000169708346 562870312 /nfs/dbraw/zinc/87/03/12/562870312.db2.gz UAGUMMLHPQJZQX-CYBMUJFWSA-N 0 0 519.599 3.897 1 0 KHAFRN C[C@@H]1c2ccccc2C=C1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCOCC4)CC3)cc2)CC1 ZINC000169708448 562870304 /nfs/dbraw/zinc/87/03/04/562870304.db2.gz NPLVWYCSUFTLJC-HSZRJFAPSA-N 0 0 557.695 3.639 1 0 KHAFRN C[C@H]1c2ccccc2C=C1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCOCC4)CC3)cc2)CC1 ZINC000169708449 562870288 /nfs/dbraw/zinc/87/02/88/562870288.db2.gz NPLVWYCSUFTLJC-QHCPKHFHSA-N 0 0 557.695 3.639 1 0 KHAFRN C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709668 562870472 /nfs/dbraw/zinc/87/04/72/562870472.db2.gz ABRJLBLWRFQFJP-GREBRCKQSA-N 0 0 502.562 3.876 1 0 KHAFRN C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709669 562870477 /nfs/dbraw/zinc/87/04/77/562870477.db2.gz ABRJLBLWRFQFJP-LEDOBFOHSA-N 0 0 502.562 3.876 1 0 KHAFRN CC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)C1 ZINC000169709687 562870461 /nfs/dbraw/zinc/87/04/61/562870461.db2.gz JETWZOHXPQPPEI-QWUVBGQNSA-N 0 0 543.615 3.754 1 0 KHAFRN CC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)C1 ZINC000169709689 562870460 /nfs/dbraw/zinc/87/04/60/562870460.db2.gz JETWZOHXPQPPEI-WLNCWMDYSA-N 0 0 543.615 3.754 1 0 KHAFRN NC(=O)c1ccc(-c2nccc3c(-c4cncc(NC(=O)CO)c4)cccc32)cc1NC1CCC(O)CC1 ZINC000169710343 562870627 /nfs/dbraw/zinc/87/06/27/562870627.db2.gz CNAVLQRGURYBLU-UHFFFAOYSA-N 0 0 511.582 3.709 1 0 KHAFRN COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)CC(F)(F)F)COC2)c(F)c1 ZINC000169710364 562870622 /nfs/dbraw/zinc/87/06/22/562870622.db2.gz CWJWJHIDQXXJLE-GFCCVEGCSA-N 0 0 516.875 3.948 1 0 KHAFRN COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cc(C)no3)COC2)c(F)c1 ZINC000169710369 562870628 /nfs/dbraw/zinc/87/06/28/562870628.db2.gz FNUJSJPEYKYQDN-CQSZACIVSA-N 0 0 515.925 3.605 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4snnc4C)COC3)c(F)c2)no1 ZINC000169710370 562870619 /nfs/dbraw/zinc/87/06/19/562870619.db2.gz TYOISXNHARBOSC-SNVBAGLBSA-N 0 0 575.985 3.575 1 0 KHAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cccnc4)COC3)c(F)c2)no1 ZINC000169710391 562870617 /nfs/dbraw/zinc/87/06/17/562870617.db2.gz RQARWLFYEUNZFN-CYBMUJFWSA-N 0 0 554.941 3.810 1 0 KHAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)cn1 ZINC000169710392 562870633 /nfs/dbraw/zinc/87/06/33/562870633.db2.gz VISBFCYEAMWAIG-CYBMUJFWSA-N 0 0 584.967 3.818 1 0 KHAFRN Cc1nnc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)o1 ZINC000169710400 562870679 /nfs/dbraw/zinc/87/06/79/562870679.db2.gz MXBKUQQIAJRWAI-SNVBAGLBSA-N 0 0 574.343 3.906 1 0 KHAFRN COCC(=O)NC1(C(=O)N[C@H](C)c2ncc(-c3cc(Cl)cc(Cl)c3OCC(F)F)cc2F)COC1 ZINC000169710403 562870667 /nfs/dbraw/zinc/87/06/67/562870667.db2.gz ZYTIZDWKWBIHRN-LLVKDONJSA-N 0 0 536.334 3.547 1 0 KHAFRN CCN1CCN(Cc2ccc(C(=O)Cn3ccc(OCc4ccc(Br)cn4)cc3=O)c(C)c2)CC1 ZINC000169711418 562870894 /nfs/dbraw/zinc/87/08/94/562870894.db2.gz QYUDCPSTENHFQT-UHFFFAOYSA-N 0 0 539.474 3.914 1 0 KHAFRN Cc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711419 562870903 /nfs/dbraw/zinc/87/09/03/562870903.db2.gz VISHLLJNOKGYBF-UHFFFAOYSA-N 0 0 512.404 3.608 1 0 KHAFRN Cc1cc(CN2CCN(C)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711422 562870881 /nfs/dbraw/zinc/87/08/81/562870881.db2.gz IZWVFAAELZQFKW-UHFFFAOYSA-N 0 0 525.447 3.524 1 0 KHAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(N)(=O)=O)c(F)c2)c1 ZINC000169711882 562871124 /nfs/dbraw/zinc/87/11/24/562871124.db2.gz FBELNUQWXODYHY-HNNXBMFYSA-N 0 0 524.540 3.928 1 0 KHAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(CNS(N)(=O)=O)c(F)c2)c1 ZINC000169711883 562871127 /nfs/dbraw/zinc/87/11/27/562871127.db2.gz FBELNUQWXODYHY-OAHLLOKOSA-N 0 0 524.540 3.928 1 0 KHAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(N)(=O)=O)c(F)c2)c1 ZINC000169711884 562871116 /nfs/dbraw/zinc/87/11/16/562871116.db2.gz QEILOJQLBUVTQP-UHFFFAOYSA-N 0 0 511.501 3.830 1 0 KHAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(N)(=O)=O)cc2)c1 ZINC000169711885 562871140 /nfs/dbraw/zinc/87/11/40/562871140.db2.gz LCECPNQFXBLLTO-INIZCTEOSA-N 0 0 506.550 3.789 1 0 KHAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(CNS(N)(=O)=O)cc2)c1 ZINC000169711886 562871176 /nfs/dbraw/zinc/87/11/76/562871176.db2.gz LCECPNQFXBLLTO-MRXNPFEDSA-N 0 0 506.550 3.789 1 0 KHAFRN COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000169713121 562871240 /nfs/dbraw/zinc/87/12/40/562871240.db2.gz IHXQKCRTBPLHBR-STVCLKQXSA-N 0 0 657.853 3.805 1 0 KHAFRN CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713125 562871262 /nfs/dbraw/zinc/87/12/62/562871262.db2.gz BAOZWCQPDXWGKQ-STVCLKQXSA-N 0 0 627.827 3.654 1 0 KHAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000169713137 562871248 /nfs/dbraw/zinc/87/12/48/562871248.db2.gz IGJMWGUHBVBEBD-JSLVBRCRSA-N 0 0 593.810 3.600 1 0 KHAFRN O=C(N[C@@H]1CCN(C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000195249453 562871571 /nfs/dbraw/zinc/87/15/71/562871571.db2.gz BIKGVNSHHBUWKV-SXOMAYOGSA-N 0 0 543.689 3.896 1 0 KHAFRN CS(=O)(=O)N1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000195303545 562871649 /nfs/dbraw/zinc/87/16/49/562871649.db2.gz DNKOFMRKTNVFCE-UXHICEINSA-N 0 0 603.541 3.780 1 0 KHAFRN CS(=O)(=O)N1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000195303559 562871639 /nfs/dbraw/zinc/87/16/39/562871639.db2.gz DNKOFMRKTNVFCE-PMACEKPBSA-N 0 0 603.541 3.780 1 0 KHAFRN Cc1cccnc1C[N@@H+]1CC[C@@]2(C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)N2c2cc(=O)[nH]cn2)[C@@H](C(=O)[O-])C1 ZINC000195522880 562872178 /nfs/dbraw/zinc/87/21/78/562872178.db2.gz IKRBATNLEJBCTM-XJFCNFDWSA-N 0 0 564.602 3.871 1 0 KHAFRN Cc1cccnc1C[N@@H+]1CC[C@]2(C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)N2c2cc(=O)[nH]cn2)[C@@H](C(=O)[O-])C1 ZINC000195522882 562872172 /nfs/dbraw/zinc/87/21/72/562872172.db2.gz IKRBATNLEJBCTM-WBBHLRKXSA-N 0 0 564.602 3.871 1 0 KHAFRN COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)CSc1nnnn1-c1ccccc1)CC2 ZINC000195523266 562872175 /nfs/dbraw/zinc/87/21/75/562872175.db2.gz BZKSURTZAZDUCA-GJZUVCINSA-N 0 0 503.628 3.780 1 0 KHAFRN COC(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)C=C3[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@H]34)[C@@]1(C)C2=O ZINC000195926708 562872425 /nfs/dbraw/zinc/87/24/25/562872425.db2.gz ODHSWYNEXJIJEI-MRALZEAOSA-N 0 0 528.598 3.697 1 0 KHAFRN COc1cc(C[C@H](COC(C)=O)[C@@H](COC(C)=O)Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000196915987 560044325 /nfs/dbraw/zinc/04/43/25/560044325.db2.gz APTNLHJOYOLQJB-DNQXCXABSA-N 0 0 530.570 3.698 1 0 biogenic,in-vitro KHAFRN O=C(NCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1)c1ccccc1 ZINC000198470908 562872690 /nfs/dbraw/zinc/87/26/90/562872690.db2.gz WFHONTNXDFUYJZ-UHFFFAOYSA-N 0 0 529.601 3.940 1 0 KHAFRN COC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1 ZINC000198483304 562872711 /nfs/dbraw/zinc/87/27/11/562872711.db2.gz UMJRMPRPJMSVNN-UHFFFAOYSA-N 0 0 587.637 3.726 1 0 KHAFRN CC(=O)Nc1ccc(N(C(=O)Cn2cc([Si](C)(C)C)nn2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000199713891 562873027 /nfs/dbraw/zinc/87/30/27/562873027.db2.gz JGRKCSMVXJZQIG-QHCPKHFHSA-N 0 0 526.739 3.532 1 0 KHAFRN CC(=O)Nc1ccc(N(C(=O)Cn2cc([Si](C)(C)C)nn2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000199713911 562873043 /nfs/dbraw/zinc/87/30/43/562873043.db2.gz JGRKCSMVXJZQIG-HSZRJFAPSA-N 0 0 526.739 3.532 1 0 KHAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCC(O)CC1 ZINC000199804013 562873125 /nfs/dbraw/zinc/87/31/25/562873125.db2.gz HKZIVOGNJIQLNX-BTYSJIOQSA-N 0 0 600.695 3.827 1 0 KHAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCOCC1 ZINC000199804516 562873103 /nfs/dbraw/zinc/87/31/03/562873103.db2.gz SBUNUJSYMHWUOI-LXFBAYGMSA-N 0 0 586.668 3.703 1 0 KHAFRN CN(C)C(=O)[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000199805514 562873122 /nfs/dbraw/zinc/87/31/22/562873122.db2.gz KDRBIKPUDBNQPU-FQRUVTKNSA-N 0 0 500.578 3.788 1 0 KHAFRN CN(C)C(=O)[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000199805537 562873147 /nfs/dbraw/zinc/87/31/47/562873147.db2.gz KDRBIKPUDBNQPU-IBVKSMDESA-N 0 0 500.578 3.788 1 0 KHAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000199982250 562873194 /nfs/dbraw/zinc/87/31/94/562873194.db2.gz PAROORWLJACPDE-OAQYLSRUSA-N 0 0 596.677 3.574 1 0 KHAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1 ZINC000199988856 562873247 /nfs/dbraw/zinc/87/32/47/562873247.db2.gz QPRQAMJAZOKYBP-OAQYLSRUSA-N 0 0 504.616 3.851 1 0 KHAFRN Cc1nnnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1 ZINC000199994550 562873254 /nfs/dbraw/zinc/87/32/54/562873254.db2.gz RWWWTYVWJMHJEE-HSZRJFAPSA-N 0 0 528.642 3.645 1 0 KHAFRN CN1CCc2nc(NC(=O)c3cccc([C@@H]4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1 ZINC000200004227 562873203 /nfs/dbraw/zinc/87/32/03/562873203.db2.gz QPRQAMJAZOKYBP-NRFANRHFSA-N 0 0 504.616 3.851 1 0 KHAFRN COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCN(c5ccccc5)CC4)CC3)nc2-c2ccc(OC)cc2)cc1 ZINC000200026637 562873286 /nfs/dbraw/zinc/87/32/86/562873286.db2.gz ZWLWZUGHMCTDGR-UHFFFAOYSA-N 0 0 579.705 3.694 1 0 KHAFRN O=C(Nc1ccccn1)OC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)c(F)c2)C1 ZINC000200264262 562873331 /nfs/dbraw/zinc/87/33/31/562873331.db2.gz FNMIWQVWVHTUOT-UHFFFAOYSA-N 0 0 521.530 3.643 1 0 KHAFRN COc1cc(C2=C(c3cn(CCCOC(=O)[C@@H](N)CC(C)C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC ZINC000200626382 562873401 /nfs/dbraw/zinc/87/34/01/562873401.db2.gz MHEYLSXQBQEYPZ-NRFANRHFSA-N 0 0 549.624 3.541 1 0 KHAFRN COc1cc(C2=C(c3cn(CCCOC(=O)[C@H](N)CC(C)C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC ZINC000200626414 562873371 /nfs/dbraw/zinc/87/33/71/562873371.db2.gz MHEYLSXQBQEYPZ-OAQYLSRUSA-N 0 0 549.624 3.541 1 0 KHAFRN Cc1ncc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)cc1Br ZINC000200850895 562873416 /nfs/dbraw/zinc/87/34/16/562873416.db2.gz XPZUTUIVUPYIFH-XIKOKIGWSA-N 0 0 503.332 3.617 1 0 KHAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCn3ccnc3)ccc21 ZINC000200872811 562873440 /nfs/dbraw/zinc/87/34/40/562873440.db2.gz CVRZELFHVFIRPR-VEYWIMSWSA-N 0 0 580.020 3.947 1 0 KHAFRN CCOc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC ZINC000201499828 562873460 /nfs/dbraw/zinc/87/34/60/562873460.db2.gz RXMMLMPTRDPQII-JTJYXVOQSA-N 0 0 512.651 3.989 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N(C)Cc1ccccc1OC ZINC000201520501 562873524 /nfs/dbraw/zinc/87/35/24/562873524.db2.gz NRLQHJKCCLJCTF-JTJYXVOQSA-N 0 0 512.651 3.942 1 0 KHAFRN COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c1 ZINC000201531090 562873522 /nfs/dbraw/zinc/87/35/22/562873522.db2.gz HADFRPUJFZOUES-YYVWFHOOSA-N 0 0 545.987 3.873 1 0 KHAFRN CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCCNC(C)=O)c2cc(OC)c(OC)cc12 ZINC000201610428 562873576 /nfs/dbraw/zinc/87/35/76/562873576.db2.gz ZBCJQWUIOZRMTM-UHFFFAOYSA-N 0 0 504.587 3.803 1 0 KHAFRN CC(C)(Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)Nc1nc2c(s1)c1c[nH]nc1cc2C(F)(F)F ZINC000202049934 562873585 /nfs/dbraw/zinc/87/35/85/562873585.db2.gz GAPTWFVBSQIGOP-UHFFFAOYSA-N 0 0 533.536 3.626 1 0 KHAFRN CC(C)(Nc1ccc(Cl)cc1C(=O)NCC(N)=O)C(=O)Nc1nc2c(s1)c1c[nH]nc1cc2C(F)(F)F ZINC000202051012 562873616 /nfs/dbraw/zinc/87/36/16/562873616.db2.gz DFCKYOMLELNQJX-UHFFFAOYSA-N 0 0 553.954 3.889 1 0 KHAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(C)(C)OC(C)=O)nc2N)cc1I ZINC000202440331 562873771 /nfs/dbraw/zinc/87/37/71/562873771.db2.gz WILGFLSDEXCQCH-UHFFFAOYSA-N 0 0 528.347 3.868 1 0 KHAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1Cl ZINC000202732215 562873818 /nfs/dbraw/zinc/87/38/18/562873818.db2.gz LJEPCPMFBIQLLW-LADGPHEKSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1Cl ZINC000202732228 562873802 /nfs/dbraw/zinc/87/38/02/562873802.db2.gz LJEPCPMFBIQLLW-UPVQGACJSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1Cl ZINC000202732245 562873860 /nfs/dbraw/zinc/87/38/60/562873860.db2.gz LJEPCPMFBIQLLW-ISKFKSNPSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1Cl ZINC000202732258 562873841 /nfs/dbraw/zinc/87/38/41/562873841.db2.gz LJEPCPMFBIQLLW-VWNXMTODSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@@H]1Cc1ccccc1Cl ZINC000202734564 562873866 /nfs/dbraw/zinc/87/38/66/562873866.db2.gz CRGUEIGKXMBYQB-UKILVPOCSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@@H]1Cc1ccccc1Cl ZINC000202734581 562873884 /nfs/dbraw/zinc/87/38/84/562873884.db2.gz CRGUEIGKXMBYQB-ZCYQVOJMSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@H]1Cc1ccccc1Cl ZINC000202734601 562873862 /nfs/dbraw/zinc/87/38/62/562873862.db2.gz CRGUEIGKXMBYQB-ILBGXUMGSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@H]1Cc1ccccc1Cl ZINC000202734621 562873869 /nfs/dbraw/zinc/87/38/69/562873869.db2.gz CRGUEIGKXMBYQB-NOZRDPDXSA-N 0 0 547.077 3.818 1 0 KHAFRN CCCC(=O)c1cnn(-c2cnc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cn2)c1C ZINC000203553357 562873955 /nfs/dbraw/zinc/87/39/55/562873955.db2.gz CPGFYWIDGQNGRU-UHFFFAOYSA-N 0 0 563.062 3.588 1 0 KHAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000204113043 562874341 /nfs/dbraw/zinc/87/43/41/562874341.db2.gz RXIFNSWHALHAPP-BJKOFHAPSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000204113059 562874358 /nfs/dbraw/zinc/87/43/58/562874358.db2.gz RXIFNSWHALHAPP-ZEQRLZLVSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000204113073 562874324 /nfs/dbraw/zinc/87/43/24/562874324.db2.gz RXIFNSWHALHAPP-DNQXCXABSA-N 0 0 547.077 3.818 1 0 KHAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000204113087 562874354 /nfs/dbraw/zinc/87/43/54/562874354.db2.gz RXIFNSWHALHAPP-RPWUZVMVSA-N 0 0 547.077 3.818 1 0 KHAFRN CCCNC(=O)c1cc(OC)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000204156820 562874362 /nfs/dbraw/zinc/87/43/62/562874362.db2.gz YQELEGFQEWFJSO-IOWSJCHKSA-N 0 0 625.788 3.893 1 0 KHAFRN CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc2ccccc21)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 ZINC000204170984 562874366 /nfs/dbraw/zinc/87/43/66/562874366.db2.gz CCUYSXKYVUHBQN-QOAWAWRESA-N 0 0 564.727 3.648 1 0 KHAFRN O=C(NCc1ccccc1)c1cccc(Cn2cc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)nn2)c1 ZINC000204316100 562874413 /nfs/dbraw/zinc/87/44/13/562874413.db2.gz XYJUZRMGRNUBFB-UHFFFAOYSA-N 0 0 520.593 3.602 1 0 KHAFRN Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@@H]4C4CCN(S(C)(=O)=O)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204427369 562874451 /nfs/dbraw/zinc/87/44/51/562874451.db2.gz JZTBXXLYTCWHLM-XMMPIXPASA-N 0 0 539.706 3.731 1 0 KHAFRN Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@H]4C4CCN(S(C)(=O)=O)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204427384 562874461 /nfs/dbraw/zinc/87/44/61/562874461.db2.gz JZTBXXLYTCWHLM-DEOSSOPVSA-N 0 0 539.706 3.731 1 0 KHAFRN CCC[C@@H](O)c1cnc(N2CCn3c4cc(S(C)(=O)=O)c(CO)cc4nc3[C@H]2C(C)C)nc1C(F)(F)F ZINC000204935242 562874622 /nfs/dbraw/zinc/87/46/22/562874622.db2.gz WZDFAJOVHXXHKS-UYAOXDASSA-N 0 0 541.596 3.792 1 0 KHAFRN CNC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1OC ZINC000205008487 562874718 /nfs/dbraw/zinc/87/47/18/562874718.db2.gz PYLVRFXZEXLPCQ-NLFFAJNJSA-N 0 0 530.604 3.590 1 0 KHAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(CCc5ccccc5)C4)cc32)ccn1 ZINC000205008568 562874688 /nfs/dbraw/zinc/87/46/88/562874688.db2.gz HSXXMGFMZXIZII-SQHAQQRYSA-N 0 0 510.642 3.827 1 0 KHAFRN CNC(=O)[C@@H](c1c(F)cccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000205008795 562874710 /nfs/dbraw/zinc/87/47/10/562874710.db2.gz HSGSCLMEPLHIFQ-IQGLISFBSA-N 0 0 504.541 3.585 1 0 KHAFRN CNC(=O)[C@H](c1c(F)cccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000205008821 562874702 /nfs/dbraw/zinc/87/47/02/562874702.db2.gz HSGSCLMEPLHIFQ-CJAUYULYSA-N 0 0 504.541 3.585 1 0 KHAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(C)=O)CC1 ZINC000205011525 562874708 /nfs/dbraw/zinc/87/47/08/562874708.db2.gz VFPBYSKYBZEXKH-RNAHPLFWSA-N 0 0 627.721 3.535 1 0 KHAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5cccs5)C4)cc32)ccn1 ZINC000205011577 562874719 /nfs/dbraw/zinc/87/47/19/562874719.db2.gz YGINAOFEJNQYRG-YKSBVNFPSA-N 0 0 502.644 3.846 1 0 KHAFRN COC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1 ZINC000205012881 562874755 /nfs/dbraw/zinc/87/47/55/562874755.db2.gz NBWWGBWMPUQGDB-GIGWZHCTSA-N 0 0 643.720 3.755 1 0 KHAFRN COC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1c(F)cccc1OC ZINC000205013430 562874743 /nfs/dbraw/zinc/87/47/43/562874743.db2.gz SOWXANORHLMUAT-DVECYGJZSA-N 0 0 517.561 3.709 1 0 KHAFRN CN(C)C(=O)[C@@H](c1c(F)cccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000205023995 562874722 /nfs/dbraw/zinc/87/47/22/562874722.db2.gz OFRCFEZHHOBJSH-NIYFSFCBSA-N 0 0 518.568 3.927 1 0 KHAFRN CN(C)C(=O)[C@H](c1c(F)cccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000205024020 562874739 /nfs/dbraw/zinc/87/47/39/562874739.db2.gz OFRCFEZHHOBJSH-BCHFMIIMSA-N 0 0 518.568 3.927 1 0 KHAFRN CCNC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1 ZINC000205026975 562874813 /nfs/dbraw/zinc/87/48/13/562874813.db2.gz LNCHENRCZJVQLA-RNAHPLFWSA-N 0 0 656.763 3.718 1 0 KHAFRN COCCNC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1OC ZINC000205031444 562874795 /nfs/dbraw/zinc/87/47/95/562874795.db2.gz SHFJUEPXJZRFEL-AMGIVPHBSA-N 0 0 574.657 3.607 1 0 KHAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5ccccc5F)C4)cc32)ccn1 ZINC000205036834 562874796 /nfs/dbraw/zinc/87/47/96/562874796.db2.gz HPZYPNPHNLRMBN-GJZUVCINSA-N 0 0 514.605 3.924 1 0 KHAFRN COC[C@@H](NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1F ZINC000205038950 562874839 /nfs/dbraw/zinc/87/48/39/562874839.db2.gz PKGVOUOXTBMFON-UPTWYHNLSA-N 0 0 513.957 3.717 1 0 KHAFRN COCCOc1ccc2c(c1)c(NC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000205048720 562874873 /nfs/dbraw/zinc/87/48/73/562874873.db2.gz BCXUJLMGSVGBBF-VFNWGFHPSA-N 0 0 549.962 3.647 1 0 KHAFRN CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)[C@@H]1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000205049865 562874863 /nfs/dbraw/zinc/87/48/63/562874863.db2.gz TZPGTQQECIOUOR-GVXSCFBNSA-N 0 0 511.981 3.867 1 0 KHAFRN O=C(N[C@@H]1CCc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1)c1cc(C(F)(F)F)cc(C2(O)C[NH2+]C2)c1 ZINC000205050882 562874856 /nfs/dbraw/zinc/87/48/56/562874856.db2.gz ALVMSWWSJKOZJK-OAQYLSRUSA-N 0 0 552.553 3.856 1 0 KHAFRN CC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1C(=O)Nc1cn(C(N)=O)c2ccccc12 ZINC000205051005 562874871 /nfs/dbraw/zinc/87/48/71/562874871.db2.gz GWGFLZGXDVTRNU-IERDGZPVSA-N 0 0 546.506 3.606 1 0 KHAFRN COCCOc1ccc2c(c1)c(NC(=O)N1[C@H]3C[C@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000205051229 562874864 /nfs/dbraw/zinc/87/48/64/562874864.db2.gz BLKWIPXCNBBABV-RXYZOABWSA-N 0 0 543.983 3.697 1 0 KHAFRN COCCOc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000205051253 562874885 /nfs/dbraw/zinc/87/48/85/562874885.db2.gz BLKWIPXCNBBABV-RTOPAQNCSA-N 0 0 543.983 3.697 1 0 KHAFRN CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc32)[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F ZINC000205054642 562874938 /nfs/dbraw/zinc/87/49/38/562874938.db2.gz JRVFNLHGYUEQCA-RHLLTPQKSA-N 0 0 648.545 3.848 1 0 KHAFRN CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000205057535 562874909 /nfs/dbraw/zinc/87/49/09/562874909.db2.gz XBPWMCZUPHMQGM-GVXSCFBNSA-N 0 0 511.981 3.867 1 0 KHAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CNS(C)(=O)=O)c(F)c1 ZINC000205059238 562874911 /nfs/dbraw/zinc/87/49/11/562874911.db2.gz ARMZBBXOPXFIEN-INIZCTEOSA-N 0 0 530.588 3.945 1 0 KHAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CNS(C)(=O)=O)c(F)c1 ZINC000205059261 562874910 /nfs/dbraw/zinc/87/49/10/562874910.db2.gz ARMZBBXOPXFIEN-MRXNPFEDSA-N 0 0 530.588 3.945 1 0 KHAFRN O=C(Cc1cccc(O)c1)N[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C[C@H]2NC(=O)CC3(CC(=O)NCCOCCOCCNC2=O)CCCC3)cc1 ZINC000205189825 562875009 /nfs/dbraw/zinc/87/50/09/562875009.db2.gz QKPWJYZAVFZQCZ-GPOMZPHUSA-N 0 0 776.331 3.601 1 0 KHAFRN O=C(c1ccc(F)cc1)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205331785 562875070 /nfs/dbraw/zinc/87/50/70/562875070.db2.gz BUKGESOGDGOVSN-HHHXNRCGSA-N 0 0 602.644 3.909 1 0 KHAFRN O=C(c1ccc(F)cc1)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205331803 562875098 /nfs/dbraw/zinc/87/50/98/562875098.db2.gz BUKGESOGDGOVSN-MHZLTWQESA-N 0 0 602.644 3.909 1 0 KHAFRN CC(C)CC(=O)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205333267 562875132 /nfs/dbraw/zinc/87/51/32/562875132.db2.gz MCWKFPZWBIOOFU-RUZDIDTESA-N 0 0 564.664 3.503 1 0 KHAFRN CC(C)CC(=O)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205333289 562875144 /nfs/dbraw/zinc/87/51/44/562875144.db2.gz MCWKFPZWBIOOFU-VWLOTQADSA-N 0 0 564.664 3.503 1 0 KHAFRN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1 ZINC000205340483 562875114 /nfs/dbraw/zinc/87/51/14/562875114.db2.gz GHYXABXKGBNWLA-UHFFFAOYSA-N 0 0 517.674 3.956 1 0 KHAFRN O=C(c1ccccc1)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205343928 562875173 /nfs/dbraw/zinc/87/51/73/562875173.db2.gz DCWGHVNFMCIKMK-HHHXNRCGSA-N 0 0 584.654 3.770 1 0 KHAFRN O=C(c1ccccc1)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205343939 562875193 /nfs/dbraw/zinc/87/51/93/562875193.db2.gz DCWGHVNFMCIKMK-MHZLTWQESA-N 0 0 584.654 3.770 1 0 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AKLXAFPDDXTNJD-UHFFFAOYSA-N 0 0 583.670 3.536 1 0 KHAFRN O=C(CC1CCCCC1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205362532 562875213 /nfs/dbraw/zinc/87/52/13/562875213.db2.gz PCPUUEZDFJFOAA-UHFFFAOYSA-N 0 0 617.728 3.520 1 0 KHAFRN O=C(N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000205362553 562875222 /nfs/dbraw/zinc/87/52/22/562875222.db2.gz HVCWQFYBPNCEJE-UHFFFAOYSA-N 0 0 655.777 3.766 1 0 KHAFRN O=C(c1ccccc1Cl)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205366053 562875246 /nfs/dbraw/zinc/87/52/46/562875246.db2.gz VLYVUEZCBAZELY-UHFFFAOYSA-N 0 0 632.098 3.517 1 0 KHAFRN O=C(c1cccc(Cl)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205366069 562875254 /nfs/dbraw/zinc/87/52/54/562875254.db2.gz QDCZWZFBYTUVIZ-UHFFFAOYSA-N 0 0 632.098 3.517 1 0 KHAFRN O=C(c1ccc(Br)cc1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205366859 562875263 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SDAJJNKQGOIDKN-DNQXCXABSA-N 0 0 638.801 3.540 1 0 KHAFRN COc1ncc(-n2nc(C)c3c2C(=O)N(c2cc(Cl)c(=O)n(C)c2)[C@@H]3c2ccc(Cl)cc2)c(OC)n1 ZINC000220139115 562878391 /nfs/dbraw/zinc/87/83/91/562878391.db2.gz IKGRWYRGRUJEIF-LJQANCHMSA-N 0 0 527.368 3.743 1 0 KHAFRN COc1ncc(-n2nc(C)c3c2C(=O)N(c2cc(Cl)c(=O)n(C)c2)[C@H]3c2ccc(Cl)cc2)c(OC)n1 ZINC000220139196 562878357 /nfs/dbraw/zinc/87/83/57/562878357.db2.gz IKGRWYRGRUJEIF-IBGZPJMESA-N 0 0 527.368 3.743 1 0 KHAFRN COc1ncc(-n2nc3c(c2C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000220139445 562878356 /nfs/dbraw/zinc/87/83/56/562878356.db2.gz IBJLUHJBIGMOMD-HXUWFJFHSA-N 0 0 527.368 3.743 1 0 KHAFRN COc1ncc(-n2nc3c(c2C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000220139503 562878376 /nfs/dbraw/zinc/87/83/76/562878376.db2.gz IBJLUHJBIGMOMD-FQEVSTJZSA-N 0 0 527.368 3.743 1 0 KHAFRN CCc1nn(-c2cnc(OC)nc2OC)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220159837 562878400 /nfs/dbraw/zinc/87/84/00/562878400.db2.gz ZFCPBFSCVUQCLF-OAQYLSRUSA-N 0 0 520.977 3.652 1 0 KHAFRN CCc1nn(-c2cnc(OC)nc2OC)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220159898 562878389 /nfs/dbraw/zinc/87/83/89/562878389.db2.gz ZFCPBFSCVUQCLF-NRFANRHFSA-N 0 0 520.977 3.652 1 0 KHAFRN COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnn(C)c3n1)[C@@H]2c1ccc(Cl)cc1 ZINC000220262946 562878425 /nfs/dbraw/zinc/87/84/25/562878425.db2.gz DHQSSAHSRGVRJY-OAQYLSRUSA-N 0 0 500.950 3.973 1 0 KHAFRN COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnn(C)c3n1)[C@H]2c1ccc(Cl)cc1 ZINC000220263009 562878426 /nfs/dbraw/zinc/87/84/26/562878426.db2.gz DHQSSAHSRGVRJY-NRFANRHFSA-N 0 0 500.950 3.973 1 0 KHAFRN Nc1nonc1-n1nnc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)c1-c1ccccc1 ZINC000220407247 562878423 /nfs/dbraw/zinc/87/84/23/562878423.db2.gz CZIZIHYOQJSLMR-UKILVPOCSA-N 0 0 666.768 3.775 1 0 KHAFRN Nc1c(O)cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000220582861 562878637 /nfs/dbraw/zinc/87/86/37/562878637.db2.gz VZJKBSZZXUEORD-UHFFFAOYSA-N 0 0 501.992 3.552 1 0 KHAFRN C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)nc32)c1 ZINC000220906492 562878691 /nfs/dbraw/zinc/87/86/91/562878691.db2.gz ZWBOLKCJYWGIDW-UHFFFAOYSA-N 0 0 553.623 3.634 1 0 KHAFRN O=C(Cc1ccc(O)cc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(O)cc3)s2)s1 ZINC000221097883 562878780 /nfs/dbraw/zinc/87/87/80/562878780.db2.gz JOLPBFJWUBRJFY-UHFFFAOYSA-N 0 0 524.628 3.729 1 0 KHAFRN O=C(c1ccc(NS(=O)(=O)c2ccc3nsnc3c2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221259723 562878906 /nfs/dbraw/zinc/87/89/06/562878906.db2.gz KJNKYXSLAGIONT-UHFFFAOYSA-N 0 0 508.625 3.702 1 0 KHAFRN COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCC(=O)N3CCN(C)CC3)c2C)c(F)c1 ZINC000221487915 562879028 /nfs/dbraw/zinc/87/90/28/562879028.db2.gz ATZVMUKUKXZZAJ-UQQQWYQISA-N 0 0 602.667 3.940 1 0 KHAFRN CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)NCc2ccc(CNS(C)(=O)=O)c(F)c2)CC1 ZINC000221680935 562879134 /nfs/dbraw/zinc/87/91/34/562879134.db2.gz LQSJQVZFFSFZFB-UHFFFAOYSA-N 0 0 531.576 3.524 1 0 KHAFRN C[Si](C)(C)CCOCn1c(CC(O)(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O ZINC000221725231 562879178 /nfs/dbraw/zinc/87/91/78/562879178.db2.gz QQWBVZMCUOCJDW-UHFFFAOYSA-N 0 0 526.706 3.556 1 0 KHAFRN O=C(NCCN1CCOCC1)c1ccc(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]c1=O ZINC000221772332 562879237 /nfs/dbraw/zinc/87/92/37/562879237.db2.gz MOKNJECIBAXMKC-ULJHMMPZSA-N 0 0 553.644 3.720 1 0 KHAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCF ZINC000221929822 562879371 /nfs/dbraw/zinc/87/93/71/562879371.db2.gz QNCABSXOAYHFBB-RLWLMLJZSA-N 0 0 562.621 3.930 1 0 KHAFRN Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)N5CCC(N6CCCC6=O)CC5)[nH]c4c(Cl)c3)n2)c1 ZINC000222323119 562879785 /nfs/dbraw/zinc/87/97/85/562879785.db2.gz QJYWZQZKOFYFRP-UHFFFAOYSA-N 0 0 519.009 3.982 1 0 KHAFRN Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)NCCCCN5CCCC5=O)[nH]c4c(Cl)c3)n2)c1 ZINC000222324244 562879760 /nfs/dbraw/zinc/87/97/60/562879760.db2.gz RIMICMKGDUQUGV-UHFFFAOYSA-N 0 0 506.998 3.888 1 0 KHAFRN CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)C1 ZINC000222858260 562879978 /nfs/dbraw/zinc/87/99/78/562879978.db2.gz INCSEAIAYIQLRK-MTQWCTHYSA-N 0 0 516.436 3.952 1 0 KHAFRN CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000222891624 562879961 /nfs/dbraw/zinc/87/99/61/562879961.db2.gz NMYROWPRLMBSAZ-UHFFFAOYSA-N 0 0 525.657 3.843 1 0 KHAFRN C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCOCC5)cc4OC)nc32)c1 ZINC000222985253 562880011 /nfs/dbraw/zinc/88/00/11/562880011.db2.gz UWQJHRPXOBWNEI-UHFFFAOYSA-N 0 0 512.570 3.802 1 0 KHAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(C5(NC(=O)C[NH+](C)C)CCOCC5)n4)o3)nc2s1 ZINC000223010619 562880044 /nfs/dbraw/zinc/88/00/44/562880044.db2.gz JVZGHCIUYSMHRD-UHFFFAOYSA-N 0 0 598.707 3.940 1 0 KHAFRN Nc1ccccc1NC(=O)c1ccc(NC(=O)CN2c3ccc(Br)cc3C3(OCCCO3)C2=O)cc1 ZINC000223088737 562880080 /nfs/dbraw/zinc/88/00/80/562880080.db2.gz STOQJJGQHYZPOX-UHFFFAOYSA-N 0 0 551.397 3.859 1 0 KHAFRN O=CO[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000223712571 562880145 /nfs/dbraw/zinc/88/01/45/562880145.db2.gz CGQHRQGSEUINCY-FGZHOGPDSA-N 0 0 580.648 3.661 1 0 KHAFRN CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)COC(=O)CC(=O)[O-])[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000223839911 562880181 /nfs/dbraw/zinc/88/01/81/562880181.db2.gz QHPRLXJFFKKKPL-MBLQSPPPSA-N 0 0 656.510 3.907 1 0 KHAFRN C[NH+](C)CCOc1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@@H]2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000224068371 562880255 /nfs/dbraw/zinc/88/02/55/562880255.db2.gz SHOUUGADSXOVGJ-MYLCPLCOSA-N 0 0 634.068 3.871 1 0 KHAFRN C[NH+](C)CCOc1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@H]2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000224068422 562880277 /nfs/dbraw/zinc/88/02/77/562880277.db2.gz SHOUUGADSXOVGJ-RBUXCVQISA-N 0 0 634.068 3.871 1 0 KHAFRN Nc1c(N)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(c4ccccc4Cl)CC3)cc2)ccc1F ZINC000224373625 562880445 /nfs/dbraw/zinc/88/04/45/562880445.db2.gz YYASOBLCXADDAM-UHFFFAOYSA-N 0 0 518.998 3.568 1 0 KHAFRN COc1cc(C[N@H+]([C@@H](C)c2ccc3c(c2)CCO3)C2CC(C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000224864370 562880582 /nfs/dbraw/zinc/88/05/82/562880582.db2.gz XFIKJNXKKOOTPJ-NWLLBJEDSA-N 0 0 522.598 3.584 1 0 KHAFRN COc1cc(C[N@H+]([C@H](C)c2ccc3c(c2)CCO3)C2CC(C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000224864410 562880537 /nfs/dbraw/zinc/88/05/37/562880537.db2.gz XFIKJNXKKOOTPJ-WDGBRCNXSA-N 0 0 522.598 3.584 1 0 KHAFRN CNc1nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OC[C@H](OCCC(F)(F)F)[C@@H]34)cc2o1 ZINC000230458854 562881055 /nfs/dbraw/zinc/88/10/55/562881055.db2.gz GBXWBYHBRMGXSH-DYJLPOQOSA-N 0 0 714.760 3.924 1 0 in-vitro KHAFRN COC(=O)Nc1ccc2c(c1)N[C@H](C(N)=O)[C@H](C)CCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000230573770 562881085 /nfs/dbraw/zinc/88/10/85/562881085.db2.gz VTCFIKKFEIUFSI-AEKNDBQSSA-N 0 0 619.086 3.841 1 0 KHAFRN COC(=O)Nc1ccc2c(c1)N[C@H](C(N)=O)[C@@H](C)CCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000230573806 562881114 /nfs/dbraw/zinc/88/11/14/562881114.db2.gz VTCFIKKFEIUFSI-RWXDPWJGSA-N 0 0 619.086 3.841 1 0 KHAFRN COC(=O)Nc1ccc2c(c1)N[C@@H](C(N)=O)[C@H](C)CCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000230573845 562881111 /nfs/dbraw/zinc/88/11/11/562881111.db2.gz VTCFIKKFEIUFSI-WRGQQALYSA-N 0 0 619.086 3.841 1 0 KHAFRN COC(=O)Nc1ccc2c(c1)N[C@@H](C(N)=O)[C@@H](C)CCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000230573883 562881110 /nfs/dbraw/zinc/88/11/10/562881110.db2.gz VTCFIKKFEIUFSI-DGJBZIKZSA-N 0 0 619.086 3.841 1 0 KHAFRN CCCC1=NC=C[C@@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815698 562881171 /nfs/dbraw/zinc/88/11/71/562881171.db2.gz YLXGHYNOVVAPOV-CRAIPNDOSA-N 0 0 501.634 3.547 1 0 KHAFRN CCCC1=NC=C[C@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815719 562881155 /nfs/dbraw/zinc/88/11/55/562881155.db2.gz YLXGHYNOVVAPOV-MAUKXSAKSA-N 0 0 501.634 3.547 1 0 KHAFRN CCCC1=NC=C[C@@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815744 562881181 /nfs/dbraw/zinc/88/11/81/562881181.db2.gz YLXGHYNOVVAPOV-QAPCUYQASA-N 0 0 501.634 3.547 1 0 KHAFRN CCCC1=NC=C[C@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815768 562881157 /nfs/dbraw/zinc/88/11/57/562881157.db2.gz YLXGHYNOVVAPOV-YJBOKZPZSA-N 0 0 501.634 3.547 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)C[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O ZINC000238733247 562881205 /nfs/dbraw/zinc/88/12/05/562881205.db2.gz ZZFJSWIPFJPKST-OCRATEHUSA-N 0 0 652.693 3.573 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@H](C)[C@@]13C[C@@H]([C@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1)C(C)(C)O3 ZINC000238756212 562881191 /nfs/dbraw/zinc/88/11/91/562881191.db2.gz IQDZWOJJMIPGTJ-UVMSVNPBSA-N 0 0 516.587 3.622 1 0 KHAFRN O=C(OC[C@H]1CCCO1)N(Cc1ccccc1)C[C@H](O)CN(Cc1ccccc1)C(=O)OC[C@@H]1CCCO1 ZINC000253633389 562882063 /nfs/dbraw/zinc/88/20/63/562882063.db2.gz JWKMHUYNEUJRBK-LGKQTMLJSA-N 0 0 526.630 3.983 1 0 KHAFRN CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC000253633393 562882078 /nfs/dbraw/zinc/88/20/78/562882078.db2.gz JXEARVHZOVKJCG-IOKQCNTKSA-N 0 0 575.754 3.853 1 0 KHAFRN CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC000253633395 562882059 /nfs/dbraw/zinc/88/20/59/562882059.db2.gz JXEARVHZOVKJCG-RKAFUKNQSA-N 0 0 575.754 3.853 1 0 KHAFRN CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC000253633397 562882065 /nfs/dbraw/zinc/88/20/65/562882065.db2.gz JXEARVHZOVKJCG-YPUWLVPJSA-N 0 0 575.754 3.853 1 0 KHAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H]2CCCCCCCOc3c(O)cccc3C(=O)N2)cc1 ZINC000253637892 581100283 /nfs/dbraw/zinc/10/02/83/581100283.db2.gz FTEGNCQZPKADDA-AOYPEHQESA-N 0 0 548.702 3.940 1 0 KHAFRN CCOCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253675919 562882750 /nfs/dbraw/zinc/88/27/50/562882750.db2.gz KXTGYMBIVOYPPF-LSYYVWMOSA-N 0 0 612.956 3.946 1 0 KHAFRN Nc1ncnc2c1ncn2CCOC[P@](=O)(OCCOCCCCCCCC[C@@H](O)CO)OCCOCCCCCCCC[C@H](O)CO ZINC000253676310 562882764 /nfs/dbraw/zinc/88/27/64/562882764.db2.gz CRMMMSKVLKWVQY-RYIYZTCISA-N 0 0 705.831 3.810 1 0 KHAFRN CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)nc3)nc2Oc2c(F)cccc21 ZINC000299823863 562883132 /nfs/dbraw/zinc/88/31/32/562883132.db2.gz AFAFFWWKUXALNJ-NRFANRHFSA-N 0 0 503.534 3.977 1 0 KHAFRN CC1=C(C(=O)N[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)Cc2ccccc21 ZINC000299823980 562883136 /nfs/dbraw/zinc/88/31/36/562883136.db2.gz ADBUEVSHEJICCM-LZNHGOJSSA-N 0 0 618.734 3.815 1 0 KHAFRN C/C=C1\[C@H]2C=C(C)C[C@]1(N[C@H]1OC(=O)C3=C4CC(C)(C)C[C@H]4[C@@H](C)[C@@H](O)C[C@]31O)c1ccc(=O)[nH]c1C2 ZINC000299824381 562883263 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CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCCC2)CO1 ZINC000299847080 562889830 /nfs/dbraw/zinc/88/98/30/562889830.db2.gz GPHMYRYUWQPGQB-XQUNTFDZSA-N 0 0 518.651 3.640 1 0 KHAFRN CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)(C)C)CO1 ZINC000299847082 562889819 /nfs/dbraw/zinc/88/98/19/562889819.db2.gz GPKKDOHNMUZCJO-ITFYNRAJSA-N 0 0 505.652 3.997 1 0 KHAFRN COc1ccc([C@H]2C[C@]3(C[C@@H](c4ccc(OC)cc4)N2C(C)=O)SC(NC(C)=O)=NN3C(C)=O)cc1 ZINC000299847786 562890070 /nfs/dbraw/zinc/89/00/70/562890070.db2.gz QSNHYHSOSJBLCT-XNSYCPOSSA-N 0 0 510.616 3.827 1 0 KHAFRN COC(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)C=C3[C@@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@H]34)[C@@]1(C)C2=O ZINC000299848060 562890160 /nfs/dbraw/zinc/89/01/60/562890160.db2.gz ODHSWYNEXJIJEI-KMKUSITISA-N 0 0 528.598 3.697 1 0 KHAFRN 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/nfs/dbraw/zinc/90/12/13/562901213.db2.gz ZXYWPDNVJHPNFP-VWLOTQADSA-N 0 0 517.623 3.830 1 0 KHAFRN COC(=O)[C@@H]1N2C(=O)C(Br)(Br)[C@H]2S[C@@]1(C)CSc1nc2ccccc2o1 ZINC000473144827 562901256 /nfs/dbraw/zinc/90/12/56/562901256.db2.gz DRFSLIWBNVELAF-ZBINZKHDSA-N 0 0 522.240 3.621 1 0 KHAFRN CC(C)Oc1ccc(C(=O)CN2CCN(C)CC2)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O ZINC000473145666 562901353 /nfs/dbraw/zinc/90/13/53/562901353.db2.gz BKXVJIGHOPYEME-UHFFFAOYSA-N 0 0 687.241 3.980 1 0 KHAFRN COC(=O)COC(=O)c1ccc(CN2C(=O)/C(=C\c3ccc(OCC(=O)OC)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000473149188 562901521 /nfs/dbraw/zinc/90/15/21/562901521.db2.gz IVURSCVJPCFTRU-WGOQTCKBSA-N 0 0 572.570 3.574 1 0 KHAFRN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCc3ccccc3)cs2)C1 ZINC000473152433 562901850 /nfs/dbraw/zinc/90/18/50/562901850.db2.gz UAEHYCOMSCHWNY-KXGBQXKMSA-N 0 0 569.772 3.767 1 0 KHAFRN COC(=O)CN(c1ccc(CN(c2ccc(CN(Cc3ccccc3)S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1)S(C)(=O)=O ZINC000473154267 562902079 /nfs/dbraw/zinc/90/20/79/562902079.db2.gz FZSGIMJFAXLQOO-UHFFFAOYSA-N 0 0 685.846 3.983 1 0 KHAFRN Nc1nc(F)c(Cl)c2c1ncn2CC[C@]1(O)NC(=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154379 562902118 /nfs/dbraw/zinc/90/21/18/562902118.db2.gz GTKKVXCWHFOPIL-AREMUKBSSA-N 0 0 523.952 3.660 1 0 KHAFRN Nc1nc(F)c(Cl)c2c1ncn2CC[C@@]1(O)NC(=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154380 562902132 /nfs/dbraw/zinc/90/21/32/562902132.db2.gz GTKKVXCWHFOPIL-SANMLTNESA-N 0 0 523.952 3.660 1 0 KHAFRN CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@@]1(C)O[C@@H](n2ccc3c2ncnc3-c2cccs2)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000473157279 562902501 /nfs/dbraw/zinc/90/25/01/562902501.db2.gz VDIYADKAIHTLBI-PGBVKRMMSA-N 0 0 602.606 3.914 1 0 KHAFRN CCOC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(C)O[C@@H](n2ccc3c2ncnc3-c2cccs2)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000473157280 562902490 /nfs/dbraw/zinc/90/24/90/562902490.db2.gz VDIYADKAIHTLBI-XQFNHVATSA-N 0 0 602.606 3.914 1 0 KHAFRN 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/nfs/dbraw/zinc/90/28/93/562902893.db2.gz KLUGJTFQJGWLFQ-ZBJVWZGCSA-N 0 0 550.377 3.558 1 0 KHAFRN CN(c1nc(C(N)=O)c(NC(=O)c2csc(CN3CCOCC3)c2)s1)c1ccc2ncccc2c1 ZINC000473165003 562902877 /nfs/dbraw/zinc/90/28/77/562902877.db2.gz OFVUWHXHPYOLDM-UHFFFAOYSA-N 0 0 508.629 3.704 1 0 KHAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2cc(OCCO)ccc21 ZINC000473165211 562902911 /nfs/dbraw/zinc/90/29/11/562902911.db2.gz RYDLGANHQSNEBA-PZVFOTJXSA-N 0 0 547.490 3.885 1 0 KHAFRN CCCNC(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000473167281 562903063 /nfs/dbraw/zinc/90/30/63/562903063.db2.gz HIUZJGAIVBIICC-XZWHSSHBSA-N 0 0 595.762 3.884 1 0 KHAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CO)c2cccc(Br)c2)c2ccccc21 ZINC000473171357 562903222 /nfs/dbraw/zinc/90/32/22/562903222.db2.gz TVNQTJOGPMPTQV-STCFGPAYSA-N 0 0 526.391 3.589 1 0 KHAFRN CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CC[NH+](C)C)c2cccc(Cl)c2F)c2ccccc21 ZINC000473179067 562903339 /nfs/dbraw/zinc/90/33/39/562903339.db2.gz CQCAXTIFMFGTNO-CTMCQALVSA-N 0 0 540.039 3.830 1 0 KHAFRN CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CCO)c2cccc(Cl)c2F)c2ccccc12 ZINC000473179724 562903446 /nfs/dbraw/zinc/90/34/46/562903446.db2.gz JPNPHIBBONXMHC-LNDODUDPSA-N 0 0 511.981 3.866 1 0 KHAFRN CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)NCc2nccn2C)cc1 ZINC000473220474 562904136 /nfs/dbraw/zinc/90/41/36/562904136.db2.gz AHJFGHVZVOCIKJ-FNCNDNGISA-N 0 0 654.106 3.671 1 0 KHAFRN CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)NCc2nccn2C)cc1 ZINC000473220475 562904107 /nfs/dbraw/zinc/90/41/07/562904107.db2.gz AHJFGHVZVOCIKJ-ILXNMNDLSA-N 0 0 654.106 3.671 1 0 KHAFRN COc1cc(C[N@H+]([C@H](C)c2ccc3c(c2)CCC3)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473233216 562904439 /nfs/dbraw/zinc/90/44/39/562904439.db2.gz AAIYEHHMVPJJCE-VANUSSGQSA-N 0 0 547.652 3.550 1 0 KHAFRN CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CC(=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240729 562904706 /nfs/dbraw/zinc/90/47/06/562904706.db2.gz VDEGJMUREAPVCB-IBGZPJMESA-N 0 0 526.630 3.616 1 0 KHAFRN CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CC(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240736 562904738 /nfs/dbraw/zinc/90/47/38/562904738.db2.gz VDEGJMUREAPVCB-LJQANCHMSA-N 0 0 526.630 3.616 1 0 KHAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3cnn(C)c3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473243782 562904713 /nfs/dbraw/zinc/90/47/13/562904713.db2.gz AQMVNNGPLWXXRB-PSWAGMNNSA-N 0 0 518.662 3.926 1 0 KHAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473243783 562904731 /nfs/dbraw/zinc/90/47/31/562904731.db2.gz AQNZAJISYIHHKZ-ISILISOKSA-N 0 0 617.795 3.722 1 0 KHAFRN COc1ccc(NCc2cn(CC(=O)Nc3c(-c4ccccc4)n[nH]c3C(F)(F)F)nn2)cc1OC ZINC000473247759 562905004 /nfs/dbraw/zinc/90/50/04/562905004.db2.gz HLTNPFKJDJCAPI-UHFFFAOYSA-N 0 0 501.469 3.955 1 0 KHAFRN COc1ccc(C(=O)c2cn(CC(=O)Nc3c(-c4ccccc4)n[nH]c3C(F)(F)F)nn2)cc1OC ZINC000473249362 562905116 /nfs/dbraw/zinc/90/51/16/562905116.db2.gz VPTBZWGHSBUIAL-UHFFFAOYSA-N 0 0 500.437 3.574 1 0 KHAFRN COc1cc(NCc2cn(CC(=O)Nc3c(-c4ccccc4)n[nH]c3C(F)(F)F)nn2)cc(OC)c1OC ZINC000473249600 562905103 /nfs/dbraw/zinc/90/51/03/562905103.db2.gz WRCQWPJOTSYFNW-UHFFFAOYSA-N 0 0 531.495 3.964 1 0 KHAFRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1[C@H]1CC(c2ccc(F)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000474604822 562905320 /nfs/dbraw/zinc/90/53/20/562905320.db2.gz FEWNXBXHOAZCSB-HSZRJFAPSA-N 0 0 589.074 3.624 1 0 KHAFRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1[C@@H]1CC(c2ccc(F)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000474604823 562905287 /nfs/dbraw/zinc/90/52/87/562905287.db2.gz FEWNXBXHOAZCSB-QHCPKHFHSA-N 0 0 589.074 3.624 1 0 KHAFRN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl ZINC000474609768 562905625 /nfs/dbraw/zinc/90/56/25/562905625.db2.gz UVMGQWWSRIRLSL-IBGZPJMESA-N 0 0 536.839 3.942 1 0 KHAFRN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1Cl ZINC000474609769 562905635 /nfs/dbraw/zinc/90/56/35/562905635.db2.gz UVMGQWWSRIRLSL-LJQANCHMSA-N 0 0 536.839 3.942 1 0 KHAFRN O=C(Cc1ccccc1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)s1 ZINC000584904669 562905807 /nfs/dbraw/zinc/90/58/07/562905807.db2.gz BAGWZESOKRULGY-UHFFFAOYSA-N 0 0 535.655 3.800 1 0 in-vitro KHAFRN COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC ZINC000584904770 562905825 /nfs/dbraw/zinc/90/58/25/562905825.db2.gz CLJLSNLSXOZRQP-URXFXBBRSA-N 0 0 529.678 3.672 1 0 in-vitro KHAFRN COc1cccc(OC)c1CNC(=O)c1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc3n[nH]cc3c2)ccc1F ZINC000584905542 562905851 /nfs/dbraw/zinc/90/58/51/562905851.db2.gz KQJWWWZXJNOLQF-SANMLTNESA-N 0 0 558.570 3.916 1 0 in-vitro KHAFRN COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CCN(S(C)(=O)=O)CC3)n2)c1 ZINC000653662292 562905899 /nfs/dbraw/zinc/90/58/99/562905899.db2.gz XCJTXDXMKDSVDB-UHFFFAOYSA-N 0 0 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CCOc1ccccc1C(=O)N[C@H]1SC=C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000653681797 562906359 /nfs/dbraw/zinc/90/63/59/562906359.db2.gz GEIUNHAMBZTQES-UZLBHIALSA-N 0 0 500.520 3.950 1 0 KHAFRN COCCN(C)S(=O)(=O)c1cnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)c1 ZINC000653682148 562906407 /nfs/dbraw/zinc/90/64/07/562906407.db2.gz NSMJZJFXYGOOET-SFHVURJKSA-N 0 0 525.627 3.717 1 0 KHAFRN Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653684779 562906466 /nfs/dbraw/zinc/90/64/66/562906466.db2.gz RGOBIOYONVITNQ-UHFFFAOYSA-N 0 0 574.659 3.859 1 0 KHAFRN COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CCN(CCO)CC3)n2)c1 ZINC000653685693 562906472 /nfs/dbraw/zinc/90/64/72/562906472.db2.gz BZUNUHLCZQADSW-UHFFFAOYSA-N 0 0 520.615 3.609 1 0 KHAFRN Cc1cc(-c2nnn(C[C@H]3CC[C@H](CO)CC3)n2)cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000653688495 562906612 /nfs/dbraw/zinc/90/66/12/562906612.db2.gz AAHIWAQFSZSKND-WKILWMFISA-N 0 0 506.504 3.930 1 0 KHAFRN 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NHNPPHOWPDXGTJ-INIZCTEOSA-N 0 0 602.632 3.997 1 0 KHAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000653716348 562908553 /nfs/dbraw/zinc/90/85/53/562908553.db2.gz NHNPPHOWPDXGTJ-MRXNPFEDSA-N 0 0 602.632 3.997 1 0 KHAFRN CC(=O)OC[C@@]12[C@@H](O)CC[C@@H](C)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1 ZINC000653717545 562908616 /nfs/dbraw/zinc/90/86/16/562908616.db2.gz QHCUTUCAXKIWHE-FAGROPTLSA-N 0 0 594.657 3.887 1 0 KHAFRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(N)c1)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653718379 562908630 /nfs/dbraw/zinc/90/86/30/562908630.db2.gz YCOKFNSNFOHEGZ-TUCRWICHSA-N 0 0 673.855 3.888 1 0 KHAFRN COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(C[N@@H+]5C[C@H](O)C(C)(C)C5)cc4)CC3)o2)cc1 ZINC000653718475 562908627 /nfs/dbraw/zinc/90/86/27/562908627.db2.gz DATKXEGBFDTYBY-DEOSSOPVSA-N 0 0 506.603 3.632 1 0 KHAFRN 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ZINC000012477454 561710844 /nfs/dbraw/zinc/71/08/44/561710844.db2.gz PLTQFEKGFQFUFX-QHYAIYAISA-N 0 0 515.360 3.928 3 0 KHAFRN O=C(c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000012479463 561710948 /nfs/dbraw/zinc/71/09/48/561710948.db2.gz FEOAEBRKMZUBSE-UHFFFAOYSA-N 0 0 502.379 3.728 3 0 KHAFRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)o1 ZINC000012715025 561711206 /nfs/dbraw/zinc/71/12/06/561711206.db2.gz WSQBJDLCLAZYOA-PGRDOPGGSA-N 0 0 525.631 3.532 3 0 KHAFRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)o1 ZINC000012715030 561711137 /nfs/dbraw/zinc/71/11/37/561711137.db2.gz WSQBJDLCLAZYOA-AVRDEDQJSA-N 0 0 525.631 3.532 3 0 KHAFRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)o1 ZINC000012715037 561711153 /nfs/dbraw/zinc/71/11/53/561711153.db2.gz WSQBJDLCLAZYOA-XMSQKQJNSA-N 0 0 525.631 3.532 3 0 KHAFRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)o1 ZINC000012715042 561711219 /nfs/dbraw/zinc/71/12/19/561711219.db2.gz WSQBJDLCLAZYOA-GCJKJVERSA-N 0 0 525.631 3.532 3 0 KHAFRN CCCCCN(C(=O)CCC(=O)OCC(=O)c1c(C)cc(C)cc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012986271 561711266 /nfs/dbraw/zinc/71/12/66/561711266.db2.gz CYPIOZIHFIWXMN-UHFFFAOYSA-N 0 0 528.650 3.574 3 0 KHAFRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013031855 561711443 /nfs/dbraw/zinc/71/14/43/561711443.db2.gz BCIIGGMNYNWRQK-SANMLTNESA-N 0 0 515.618 3.808 3 0 KHAFRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013031858 561711420 /nfs/dbraw/zinc/71/14/20/561711420.db2.gz BCIIGGMNYNWRQK-AREMUKBSSA-N 0 0 515.618 3.808 3 0 in-vitro KHAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO ZINC000013118549 561711453 /nfs/dbraw/zinc/71/14/53/561711453.db2.gz QHFBEQUZSANKSJ-MOMDTQCHSA-N 0 0 508.615 3.509 3 0 KHAFRN Cc1ccc(S(=O)(=O)NCC(=O)N(c2ccccc2)[C@H](C(=O)NCc2ccccc2)c2ccco2)cc1 ZINC000013150739 561711581 /nfs/dbraw/zinc/71/15/81/561711581.db2.gz FFOWMSUUHGNUNO-MHZLTWQESA-N 0 0 517.607 3.957 3 0 KHAFRN CCCCc1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000013478000 561714822 /nfs/dbraw/zinc/71/48/22/561714822.db2.gz XKVXTJSSLWRHAP-NRFANRHFSA-N 0 0 522.691 3.936 3 0 KHAFRN CC[C@@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCCCNC(=O)OC(C)(C)C)nn1 ZINC000013478020 561714836 /nfs/dbraw/zinc/71/48/36/561714836.db2.gz PZLAKHMAYSAHLF-CTNGQTDRSA-N 0 0 522.691 3.792 3 0 KHAFRN CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)COc2ccc(Cl)cc2)C3)c1 ZINC000013478615 561714825 /nfs/dbraw/zinc/71/48/25/561714825.db2.gz ZGCRLRNZOBRLIX-YIXXDRMTSA-N 0 0 527.021 3.887 3 0 KHAFRN CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)COc2ccc(Cl)cc2)C3)c1 ZINC000013478617 561714829 /nfs/dbraw/zinc/71/48/29/561714829.db2.gz ZGCRLRNZOBRLIX-KCWPFWIISA-N 0 0 527.021 3.887 3 0 KHAFRN C/C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000013478743 561714965 /nfs/dbraw/zinc/71/49/65/561714965.db2.gz GJBYFPOYCMTKRK-DAKMEGKCSA-N 0 0 522.605 3.983 3 0 KHAFRN C/C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000013478745 561714907 /nfs/dbraw/zinc/71/49/07/561714907.db2.gz GJBYFPOYCMTKRK-OAOJMWTNSA-N 0 0 522.605 3.983 3 0 KHAFRN CCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000013478920 561714968 /nfs/dbraw/zinc/71/49/68/561714968.db2.gz WXAIFIUBDZIIAN-SETSBSEESA-N 0 0 524.577 3.529 3 0 KHAFRN CCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000013478923 561714974 /nfs/dbraw/zinc/71/49/74/561714974.db2.gz WXAIFIUBDZIIAN-QCDSWUKFSA-N 0 0 524.577 3.529 3 0 KHAFRN CCCCCC(=O)N1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478937 561714961 /nfs/dbraw/zinc/71/49/61/561714961.db2.gz UAPNGEDHJPXPGT-KCWPFWIISA-N 0 0 527.021 3.887 3 0 KHAFRN CCCCCC(=O)N1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478939 561714948 /nfs/dbraw/zinc/71/49/48/561714948.db2.gz UAPNGEDHJPXPGT-YIXXDRMTSA-N 0 0 527.021 3.887 3 0 KHAFRN CCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000013478972 561714944 /nfs/dbraw/zinc/71/49/44/561714944.db2.gz ZHRLCEBUVKQWKZ-SETSBSEESA-N 0 0 510.594 3.817 3 0 KHAFRN CCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000013478974 561714941 /nfs/dbraw/zinc/71/49/41/561714941.db2.gz ZHRLCEBUVKQWKZ-QCDSWUKFSA-N 0 0 510.594 3.817 3 0 KHAFRN O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013656845 561723209 /nfs/dbraw/zinc/72/32/09/561723209.db2.gz ZVFOEDYLSKHWAW-KCWPFWIISA-N 0 0 500.636 3.675 3 0 KHAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO ZINC000013656857 561723287 /nfs/dbraw/zinc/72/32/87/561723287.db2.gz RFFHERPTTILRQM-MOMDTQCHSA-N 0 0 514.663 3.921 3 0 KHAFRN CN1CCN(C(=O)C2=C[C@@H](c3ccc(Br)cc3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656870 561723204 /nfs/dbraw/zinc/72/32/04/561723204.db2.gz PKBJYXTWEQOPMA-QPPBQGQZSA-N 0 0 501.421 3.646 3 0 KHAFRN O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013656915 561723226 /nfs/dbraw/zinc/72/32/26/561723226.db2.gz ZVFOEDYLSKHWAW-WNCULLNHSA-N 0 0 500.636 3.675 3 0 KHAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](C2CCCCC2)[C@H]1CCCO ZINC000013656929 561723278 /nfs/dbraw/zinc/72/32/78/561723278.db2.gz RFFHERPTTILRQM-NDDXJGTKSA-N 0 0 514.663 3.921 3 0 KHAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000013657381 561723244 /nfs/dbraw/zinc/72/32/44/561723244.db2.gz BQMHPATXTVZSSW-PMACEKPBSA-N 0 0 528.650 3.579 3 0 KHAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1)C(=O)OC(C)(C)C ZINC000013657469 561723232 /nfs/dbraw/zinc/72/32/32/561723232.db2.gz LIRXEKMLAFKVIQ-SFHVURJKSA-N 0 0 515.611 3.797 3 0 KHAFRN C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 ZINC000013657499 561723371 /nfs/dbraw/zinc/72/33/71/561723371.db2.gz MYKOXFMSWILSCN-KRWDZBQOSA-N 0 0 521.574 3.548 3 0 KHAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660441 561723324 /nfs/dbraw/zinc/72/33/24/561723324.db2.gz ZOGNXBMTXOCBAQ-MUUNZHRXSA-N 0 0 515.497 3.763 3 0 KHAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660443 561723335 /nfs/dbraw/zinc/72/33/35/561723335.db2.gz ZOGNXBMTXOCBAQ-NDEPHWFRSA-N 0 0 515.497 3.763 3 0 KHAFRN COc1cc([C@@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661224 561723473 /nfs/dbraw/zinc/72/34/73/561723473.db2.gz GNDCZIUVHLDNSH-LJQANCHMSA-N 0 0 513.587 3.999 3 0 KHAFRN COc1cc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661226 561723469 /nfs/dbraw/zinc/72/34/69/561723469.db2.gz GNDCZIUVHLDNSH-IBGZPJMESA-N 0 0 513.587 3.999 3 0 KHAFRN CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2N(S(=O)(=O)C(F)(F)F)[C@H]1C(=O)OCC ZINC000013813335 561731787 /nfs/dbraw/zinc/73/17/87/561731787.db2.gz AKLBPODIEDGMLM-HXUWFJFHSA-N 0 0 513.490 3.662 3 0 KHAFRN CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2N(S(=O)(=O)C(F)(F)F)[C@@H]1C(=O)OCC ZINC000013813339 561731821 /nfs/dbraw/zinc/73/18/21/561731821.db2.gz AKLBPODIEDGMLM-FQEVSTJZSA-N 0 0 513.490 3.662 3 0 KHAFRN CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000013831781 561733442 /nfs/dbraw/zinc/73/34/42/561733442.db2.gz WYQPLTPSGFELIB-PQIHXYNPSA-N 0 0 508.558 3.520 3 0 in-vitro KHAFRN CCOC(=O)/C=C1\CN(Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C(F)(F)F)cc21 ZINC000015935042 561753186 /nfs/dbraw/zinc/75/31/86/561753186.db2.gz ICQQRAXCHNEFNZ-XNTDXEJSSA-N 0 0 515.506 3.882 3 0 KHAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]12C ZINC000015936667 561753299 /nfs/dbraw/zinc/75/32/99/561753299.db2.gz PLTQFEKGFQFUFX-OKFYXZINSA-N 0 0 515.360 3.928 3 0 KHAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000015936673 561753300 /nfs/dbraw/zinc/75/33/00/561753300.db2.gz GMMXOOAEOKTWMP-QHYAIYAISA-N 0 0 515.360 3.928 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]12C ZINC000015936683 561753301 /nfs/dbraw/zinc/75/33/01/561753301.db2.gz PLTQFEKGFQFUFX-ZHNFZGJGSA-N 0 0 515.360 3.928 3 0 KHAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000015937379 561753423 /nfs/dbraw/zinc/75/34/23/561753423.db2.gz CMIILYWAAZUYHR-SFTDATJTSA-N 0 0 528.650 3.784 3 0 KHAFRN Cc1ccccc1CN1c2cc(C(=O)NCCCN3CCOCC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000015944185 561753675 /nfs/dbraw/zinc/75/36/75/561753675.db2.gz XWVWCHWOVFKCJK-QNGWXLTQSA-N 0 0 517.651 3.774 3 0 KHAFRN Cc1ccccc1CN1c2cc(C(=O)NCCCN3CCOCC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000015944187 561753665 /nfs/dbraw/zinc/75/36/65/561753665.db2.gz XWVWCHWOVFKCJK-DIPNUNPCSA-N 0 0 517.651 3.774 3 0 KHAFRN CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)cc1 ZINC000015952239 561753642 /nfs/dbraw/zinc/75/36/42/561753642.db2.gz UMLMTZHEKJSOAA-NRFANRHFSA-N 0 0 506.559 3.727 3 0 KHAFRN CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000015952259 561753648 /nfs/dbraw/zinc/75/36/48/561753648.db2.gz DFANFWKLYMUGOU-FQEVSTJZSA-N 0 0 506.559 3.522 3 0 KHAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 ZINC000015952274 561753677 /nfs/dbraw/zinc/75/36/77/561753677.db2.gz JKJHTGQSAAVITM-VWLOTQADSA-N 0 0 508.578 3.693 3 0 KHAFRN C/C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307207 561754773 /nfs/dbraw/zinc/75/47/73/561754773.db2.gz JTZGCYRZDJCSFF-JTFNZIAISA-N 0 0 536.588 3.695 3 0 KHAFRN C/C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307210 561754806 /nfs/dbraw/zinc/75/48/06/561754806.db2.gz JTZGCYRZDJCSFF-CKDIWERESA-N 0 0 536.588 3.695 3 0 KHAFRN NC(=O)[C@@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1 ZINC000017307357 561754964 /nfs/dbraw/zinc/75/49/64/561754964.db2.gz AJFRGOJKFGSQDE-RBJSKKJNSA-N 0 0 532.984 3.621 3 0 KHAFRN NC(=O)[C@@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1 ZINC000017307360 561754971 /nfs/dbraw/zinc/75/49/71/561754971.db2.gz AJFRGOJKFGSQDE-CUBQBAPOSA-N 0 0 532.984 3.621 3 0 KHAFRN COc1ccc(C(=O)N2C[C@]3(CC(c4cccc(NC(=O)COc5ccc(Cl)cc5)c4)=NO3)C[C@@H]2C(N)=O)cc1 ZINC000017307365 561754933 /nfs/dbraw/zinc/75/49/33/561754933.db2.gz QNZAHLHTDZDLRU-IRPSRAIASA-N 0 0 563.010 3.629 3 0 KHAFRN COc1ccc(C(=O)N2C[C@@]3(CC(c4cccc(NC(=O)COc5ccc(Cl)cc5)c4)=NO3)C[C@@H]2C(N)=O)cc1 ZINC000017307369 561754924 /nfs/dbraw/zinc/75/49/24/561754924.db2.gz QNZAHLHTDZDLRU-VAVYLYDRSA-N 0 0 563.010 3.629 3 0 KHAFRN CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000017544708 561755532 /nfs/dbraw/zinc/75/55/32/561755532.db2.gz VEIIHKZRZTVMHA-XJFCNFDWSA-N 0 0 575.662 3.878 3 0 KHAFRN CC(=O)n1cc([C@H]2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000017544755 561755562 /nfs/dbraw/zinc/75/55/62/561755562.db2.gz VEIIHKZRZTVMHA-QXNWPYRLSA-N 0 0 575.662 3.878 3 0 KHAFRN O=C(C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544766 561755506 /nfs/dbraw/zinc/75/55/06/561755506.db2.gz YXAUTOXRZSFULD-XYFQYJLHSA-N 0 0 586.641 3.911 3 0 KHAFRN CC(C)(C)OC(=O)NCCCCCNC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000017544886 561755582 /nfs/dbraw/zinc/75/55/82/561755582.db2.gz BZIBYMFNNORHGC-DEOSSOPVSA-N 0 0 577.682 3.919 3 0 KHAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000017544893 561755611 /nfs/dbraw/zinc/75/56/11/561755611.db2.gz KAJPHZOMQGYNLD-NRFANRHFSA-N 0 0 543.665 3.722 3 0 KHAFRN CC(C)(C)OC(=O)NCCCCCNC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000017544903 561755632 /nfs/dbraw/zinc/75/56/32/561755632.db2.gz JIBLEQLLDVSQJG-FQEVSTJZSA-N 0 0 624.780 3.970 3 0 KHAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000017544906 561755668 /nfs/dbraw/zinc/75/56/68/561755668.db2.gz PRGHGCKNDKQPHH-FQEVSTJZSA-N 0 0 622.764 3.674 3 0 KHAFRN CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000017544922 561755666 /nfs/dbraw/zinc/75/56/66/561755666.db2.gz DINYHADKRMDGFI-FQEVSTJZSA-N 0 0 543.665 3.817 3 0 KHAFRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 ZINC000017544925 561755654 /nfs/dbraw/zinc/75/56/54/561755654.db2.gz HLCKKZZEVHWPPJ-DEOSSOPVSA-N 0 0 575.666 3.624 3 0 KHAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OC(C)(C)C ZINC000017544933 561755648 /nfs/dbraw/zinc/75/56/48/561755648.db2.gz VVOADJJBWHPEEW-NRFANRHFSA-N 0 0 555.676 3.743 3 0 KHAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000017544936 561755761 /nfs/dbraw/zinc/75/57/61/561755761.db2.gz DGOILUORFXUDNV-QFIPXVFZSA-N 0 0 584.718 3.507 3 0 KHAFRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000017544965 561755774 /nfs/dbraw/zinc/75/57/74/561755774.db2.gz JJOJBADKVUQOSE-GOTSBHOMSA-N 0 0 562.667 3.775 3 0 KHAFRN CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 ZINC000017544980 561755757 /nfs/dbraw/zinc/75/57/57/561755757.db2.gz XIQFIGDBAIPLCI-FQEVSTJZSA-N 0 0 587.674 3.974 3 0 KHAFRN CCN1CCN(C(=O)c2cc(Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)N3CCN(CC)CC3)c2)CC1 ZINC000017595904 561756660 /nfs/dbraw/zinc/75/66/60/561756660.db2.gz ZIHQMVXHJRVGQI-UHFFFAOYSA-N 0 0 540.533 3.730 3 0 KHAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)c2cc(C)oc2C)C3=N1 ZINC000017654381 561757424 /nfs/dbraw/zinc/75/74/24/561757424.db2.gz WUXCGMAWAJNNPZ-MPZZDHCUSA-N 0 0 597.624 3.623 3 0 KHAFRN CC(C)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000017655333 561757890 /nfs/dbraw/zinc/75/78/90/561757890.db2.gz GCKODGMYILQELF-CITHKVLSSA-N 0 0 598.608 3.866 3 0 KHAFRN O=C(NCCN1CCOCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000020388801 561758705 /nfs/dbraw/zinc/75/87/05/561758705.db2.gz DYJOYSNSQBXWGI-UHFFFAOYSA-N 0 0 505.619 3.973 3 0 KHAFRN O=C(C[C@H]1C/C=C\CCCCC(=O)OC[C@H](Cc2ccccc2)NC1=O)N(CCO)Cc1ccccc1 ZINC000033693007 562037398 /nfs/dbraw/zinc/03/73/98/562037398.db2.gz DESPKANTNOIPHU-SZSFNWRYSA-N 0 0 506.643 3.805 3 0 KHAFRN CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C ZINC000036374395 562059644 /nfs/dbraw/zinc/05/96/44/562059644.db2.gz WYQPLTPSGFELIB-URBAHXGOSA-N 0 0 508.558 3.520 3 0 in-vitro KHAFRN COc1ccc(NC(=O)c2cccc3c2C(=O)c2ccc(-c4cnc(OC)nc4)cc2S3(=O)=O)cc1 ZINC000036382288 562059853 /nfs/dbraw/zinc/05/98/53/562059853.db2.gz DLKLOXKDJPATEX-UHFFFAOYSA-N 0 0 501.520 3.790 3 0 KHAFRN COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC[C@@H]4CCCO4)c2C3=O)cc1OC ZINC000036384301 562060046 /nfs/dbraw/zinc/06/00/46/562060046.db2.gz LEOCGDXQCOGAPF-SFHVURJKSA-N 0 0 507.564 3.657 3 0 KHAFRN O=C(c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000036384305 562060151 /nfs/dbraw/zinc/06/01/51/562060151.db2.gz ANSOKXWDMDZGKY-UHFFFAOYSA-N 0 0 502.379 3.728 3 0 KHAFRN COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(-c3cc(C(C)=O)cs3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386457 562060078 /nfs/dbraw/zinc/06/00/78/562060078.db2.gz ZIMABCIUAPLOFJ-CBUXHAPBSA-N 0 0 502.592 3.648 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]12C ZINC000036387228 562060126 /nfs/dbraw/zinc/06/01/26/562060126.db2.gz YPPVQZZYCLGZFV-JYISGYRJSA-N 0 0 503.324 3.684 3 0 KHAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388843 562060305 /nfs/dbraw/zinc/06/03/05/562060305.db2.gz NDMXGMWBKDDPPQ-HSZRJFAPSA-N 0 0 502.615 3.691 3 0 KHAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388844 562060354 /nfs/dbraw/zinc/06/03/54/562060354.db2.gz NDMXGMWBKDDPPQ-QHCPKHFHSA-N 0 0 502.615 3.691 3 0 KHAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388845 562060326 /nfs/dbraw/zinc/06/03/26/562060326.db2.gz PKSKWJUCQILJSV-UHFFFAOYSA-N 0 0 502.615 3.691 3 0 KHAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1)C1CC1 ZINC000036388846 562060324 /nfs/dbraw/zinc/06/03/24/562060324.db2.gz MHNHIRACBYSFHP-JOCHJYFZSA-N 0 0 502.615 3.689 3 0 KHAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1)C1CC1 ZINC000036388847 562060310 /nfs/dbraw/zinc/06/03/10/562060310.db2.gz MHNHIRACBYSFHP-QFIPXVFZSA-N 0 0 502.615 3.689 3 0 KHAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)cc1)C1CC1 ZINC000036388848 562060345 /nfs/dbraw/zinc/06/03/45/562060345.db2.gz RWSTYYNGVJOFIM-UHFFFAOYSA-N 0 0 502.615 3.689 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(Cc3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000036389032 562060438 /nfs/dbraw/zinc/06/04/38/562060438.db2.gz PBMMDTQILYWGSR-LLHPUKMZSA-N 0 0 503.382 3.866 3 0 KHAFRN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCN1CCOCC1 ZINC000036389415 562060620 /nfs/dbraw/zinc/06/06/20/562060620.db2.gz UMEYZYCZIHDHOE-WIOPSUGQSA-N 0 0 523.605 3.610 3 0 KHAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000038139174 562062506 /nfs/dbraw/zinc/06/25/06/562062506.db2.gz AORLGWAPCLPIDT-FQEVSTJZSA-N 0 0 543.665 3.851 3 0 KHAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000038139178 562062474 /nfs/dbraw/zinc/06/24/74/562062474.db2.gz UHQJTHRNGFLYFM-ZEQRLZLVSA-N 0 0 562.667 3.980 3 0 KHAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000038139180 562062518 /nfs/dbraw/zinc/06/25/18/562062518.db2.gz FMDCRZGSZCQFHB-ZEQRLZLVSA-N 0 0 562.667 3.980 3 0 KHAFRN COc1cccc(-c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCCCc2ccccc2)c1 ZINC000038143054 562063697 /nfs/dbraw/zinc/06/36/97/562063697.db2.gz LSFQOLYNZFKBCK-UIRWWBRLSA-N 0 0 535.637 3.975 3 0 KHAFRN COc1cccc(-c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCCc2ccccc2)c1 ZINC000038143055 562063704 /nfs/dbraw/zinc/06/37/04/562063704.db2.gz PIEGWRODXNLRJO-NFWVVERESA-N 0 0 521.610 3.585 3 0 KHAFRN COc1ccc(-c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCCc2ccccc2)cc1 ZINC000038143060 562063689 /nfs/dbraw/zinc/06/36/89/562063689.db2.gz HYSSAMYTSASKNO-NFWVVERESA-N 0 0 521.610 3.585 3 0 KHAFRN COc1cccc(-c2ccc(O[C@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCCCc2ccccc2)c1 ZINC000038143062 562063691 /nfs/dbraw/zinc/06/36/91/562063691.db2.gz LSFQOLYNZFKBCK-CIXDGQAGSA-N 0 0 535.637 3.975 3 0 KHAFRN COc1cccc(-c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCc2ccccc2)c1 ZINC000038143077 562063706 /nfs/dbraw/zinc/06/37/06/562063706.db2.gz SUDUALSUASZFAI-QALYSUAOSA-N 0 0 507.583 3.543 3 0 KHAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)c(OC)c3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000038144574 562063993 /nfs/dbraw/zinc/06/39/93/562063993.db2.gz BPKDPZYIVUJBDR-RBUURGHLSA-N 0 0 540.616 3.985 3 0 KHAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc5c(c4)OCO5)c(OC)c3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000038144577 562064005 /nfs/dbraw/zinc/06/40/05/562064005.db2.gz OOQAKBPMYJVLRR-ACXCVDCASA-N 0 0 542.588 3.511 3 0 KHAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)cc3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000038144580 562064031 /nfs/dbraw/zinc/06/40/31/562064031.db2.gz UBWZIQSRZGVMQU-ACXCVDCASA-N 0 0 510.590 3.976 3 0 KHAFRN CSCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCO)nn1 ZINC000038144594 562064019 /nfs/dbraw/zinc/06/40/19/562064019.db2.gz JQKCALJOSJWUJK-VWLOTQADSA-N 0 0 596.839 3.814 3 0 KHAFRN O=C1[C@H]2[C@@H](C=Cc3ccccc3)N3C(=O)CN(CC4CC4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000038145425 562064148 /nfs/dbraw/zinc/06/41/48/562064148.db2.gz PUINCYHIFITJPD-HJGLKLEMSA-N 0 0 545.639 3.950 3 0 KHAFRN C[C@@]12C(=O)N(Cc3ccccc3)CC(=O)N1[C@H](C=Cc1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000038145436 562064259 /nfs/dbraw/zinc/06/42/59/562064259.db2.gz GPPJDSSDVFDVBI-VNEMGLAMSA-N 0 0 505.574 3.518 3 0 KHAFRN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(CC4CC4)CC(=O)N23)o1 ZINC000038145440 562064253 /nfs/dbraw/zinc/06/42/53/562064253.db2.gz LDZNBZMENBZAEF-ACXCVDCASA-N 0 0 523.589 3.511 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000038145737 562064515 /nfs/dbraw/zinc/06/45/15/562064515.db2.gz MRPMMZUIEROIAI-CMMZHZMSSA-N 0 0 521.314 3.823 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C ZINC000038145738 562064551 /nfs/dbraw/zinc/06/45/51/562064551.db2.gz GVEKYHCXKRBEPK-UZZXEVGKSA-N 0 0 545.386 3.562 3 0 KHAFRN Cc1cccc(NC(=O)c2nc[nH]c2C(=O)NCCCCCCNC(=O)c2[nH]cnc2C(=O)Nc2cccc(C)c2)c1 ZINC000038146068 562064649 /nfs/dbraw/zinc/06/46/49/562064649.db2.gz KZPXGRDLMYKAGK-UHFFFAOYSA-N 0 0 570.654 3.974 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000038146117 562064713 /nfs/dbraw/zinc/06/47/13/562064713.db2.gz NBYCYLBFMZPBGH-BLZYYQICSA-N 0 0 527.415 3.630 3 0 KHAFRN O=C(NCc1ccccc1Br)c1cccc2c1C(=O)c1ccc(N3CCOCC3)cc1S2(=O)=O ZINC000038146176 562064961 /nfs/dbraw/zinc/06/49/61/562064961.db2.gz YDQDYWVXWJVYCE-UHFFFAOYSA-N 0 0 541.423 3.593 3 0 KHAFRN CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000038146634 562065301 /nfs/dbraw/zinc/06/53/01/562065301.db2.gz GANDNYSKIOQIIQ-IUAQSZDVSA-N 0 0 619.721 3.548 3 0 KHAFRN CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)OCc1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000038146636 562065318 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CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061898499 562702920 /nfs/dbraw/zinc/70/29/20/562702920.db2.gz MDCOFUQLACNPCO-UHFFFAOYSA-N 0 0 502.571 3.886 3 0 KHAFRN OC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H](n2cnc3c2ncnc3NCc2ccc(F)cc2)O1 ZINC000061902463 562702954 /nfs/dbraw/zinc/70/29/54/562702954.db2.gz HOHYURKCPSOHFK-LEWJYISDSA-N 0 0 516.499 3.988 3 0 KHAFRN CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)C(=O)c1cccc(OC)c1 ZINC000061903424 562702985 /nfs/dbraw/zinc/70/29/85/562702985.db2.gz KGSBBIZRQGQIBQ-UHFFFAOYSA-N 0 0 521.599 3.806 3 0 KHAFRN Cc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)C(=O)CCc1ccccc1 ZINC000061904850 562703046 /nfs/dbraw/zinc/70/30/46/562703046.db2.gz CCFYVVQVCOMKTP-UHFFFAOYSA-N 0 0 505.600 3.862 3 0 KHAFRN CC(=O)Nc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 ZINC000061904859 562703002 /nfs/dbraw/zinc/70/30/02/562703002.db2.gz WCNWRGUGZAUAAT-UHFFFAOYSA-N 0 0 518.595 3.503 3 0 KHAFRN COc1cccc(CNc2nc3cc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)sc3c(=O)n2C)c1 ZINC000061905533 562703024 /nfs/dbraw/zinc/70/30/24/562703024.db2.gz XNBKKINHVOQNAA-UHFFFAOYSA-N 0 0 503.628 3.670 3 0 KHAFRN CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)C(=O)Cc1ccccc1 ZINC000061906650 562703085 /nfs/dbraw/zinc/70/30/85/562703085.db2.gz PVODBXWCSFVFLF-UHFFFAOYSA-N 0 0 505.600 3.726 3 0 KHAFRN CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)COc1ccccc1 ZINC000061907975 562703078 /nfs/dbraw/zinc/70/30/78/562703078.db2.gz LWGMZFHSPOIBDD-UHFFFAOYSA-N 0 0 502.571 3.756 3 0 KHAFRN CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCCC1=O ZINC000061920971 562703110 /nfs/dbraw/zinc/70/31/10/562703110.db2.gz KSHZYXANGXFPPD-RUZDIDTESA-N 0 0 530.669 3.506 3 0 KHAFRN CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCCC1=O ZINC000061920972 562703138 /nfs/dbraw/zinc/70/31/38/562703138.db2.gz KSHZYXANGXFPPD-VWLOTQADSA-N 0 0 530.669 3.506 3 0 KHAFRN CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@H](CC(=O)NCc2cccc3ccccc32)C1 ZINC000061921017 562703150 /nfs/dbraw/zinc/70/31/50/562703150.db2.gz XANPILIQGMOUDO-VWLOTQADSA-N 0 0 532.685 3.850 3 0 KHAFRN CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)C1 ZINC000061921018 562703113 /nfs/dbraw/zinc/70/31/13/562703113.db2.gz XANPILIQGMOUDO-RUZDIDTESA-N 0 0 532.685 3.850 3 0 KHAFRN CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061921019 562703140 /nfs/dbraw/zinc/70/31/40/562703140.db2.gz QHRPELPGWFSSQV-VWLOTQADSA-N 0 0 524.706 3.519 3 0 KHAFRN CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061921020 562703139 /nfs/dbraw/zinc/70/31/39/562703139.db2.gz QHRPELPGWFSSQV-RUZDIDTESA-N 0 0 524.706 3.519 3 0 KHAFRN Cc1ncoc1C(=O)NCC1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2CCOc1ccccc1 ZINC000061921156 562703173 /nfs/dbraw/zinc/70/31/73/562703173.db2.gz YNXZMOSXTMJSEX-HFZDXXHNSA-N 0 0 521.639 3.886 3 0 KHAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921729 562703215 /nfs/dbraw/zinc/70/32/15/562703215.db2.gz HNXFQYNZIMBPIK-RUZDIDTESA-N 0 0 521.633 3.836 3 0 KHAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921731 562703214 /nfs/dbraw/zinc/70/32/14/562703214.db2.gz HNXFQYNZIMBPIK-VWLOTQADSA-N 0 0 521.633 3.836 3 0 KHAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921935 562703259 /nfs/dbraw/zinc/70/32/59/562703259.db2.gz SMIQGTZCCMUTKO-XMMPIXPASA-N 0 0 532.685 3.609 3 0 KHAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921937 562703254 /nfs/dbraw/zinc/70/32/54/562703254.db2.gz SMIQGTZCCMUTKO-DEOSSOPVSA-N 0 0 532.685 3.609 3 0 KHAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921939 562703308 /nfs/dbraw/zinc/70/33/08/562703308.db2.gz IKBHHLDVGVLOLQ-JOCHJYFZSA-N 0 0 507.631 3.765 3 0 KHAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921941 562703307 /nfs/dbraw/zinc/70/33/07/562703307.db2.gz IKBHHLDVGVLOLQ-QFIPXVFZSA-N 0 0 507.631 3.765 3 0 KHAFRN COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCCCc3ccccc3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921963 562703290 /nfs/dbraw/zinc/70/32/90/562703290.db2.gz NPRRQHCRBICBEK-AREMUKBSSA-N 0 0 533.669 3.706 3 0 KHAFRN COc1ccc(CN2C(=O)[C@H](CC(=O)NCCCCc3ccccc3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921966 562703309 /nfs/dbraw/zinc/70/33/09/562703309.db2.gz NPRRQHCRBICBEK-SANMLTNESA-N 0 0 533.669 3.706 3 0 KHAFRN Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc2ccccc2)O3)cc1 ZINC000061922042 562703291 /nfs/dbraw/zinc/70/32/91/562703291.db2.gz BJAFVPPMIVSEHA-VHFRWLAGSA-N 0 0 501.627 3.978 3 0 KHAFRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ncn2c1c(=O)[nH]c1ccc(Br)cc12 ZINC000061922154 562703304 /nfs/dbraw/zinc/70/33/04/562703304.db2.gz LBGVVZUHIZNCDG-KRWDZBQOSA-N 0 0 511.376 3.621 3 0 KHAFRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000061922167 562703282 /nfs/dbraw/zinc/70/32/82/562703282.db2.gz HAEJRFMOZUXGPW-UHFFFAOYSA-N 0 0 510.364 3.693 3 0 KHAFRN Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)CC2CC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000061922321 562703335 /nfs/dbraw/zinc/70/33/35/562703335.db2.gz GCPZFZZKEDFKSA-OHUGHZGNSA-N 0 0 500.661 3.689 3 0 KHAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000061922554 562703344 /nfs/dbraw/zinc/70/33/44/562703344.db2.gz INVIOEDNEQSFGP-YPCDYVTLSA-N 0 0 527.687 3.509 3 0 KHAFRN COc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCC2)O3)cc1 ZINC000061922588 562703365 /nfs/dbraw/zinc/70/33/65/562703365.db2.gz AVPGDPFQLUNDDR-MPCDZSKCSA-N 0 0 510.635 3.561 3 0 KHAFRN Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ncc(-c4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000061922721 562703376 /nfs/dbraw/zinc/70/33/76/562703376.db2.gz GJQADFDKAUPHPP-ISJBWFOZSA-N 0 0 523.655 3.598 3 0 KHAFRN CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)Nc1cc(Br)ccc1F ZINC000061922875 562703377 /nfs/dbraw/zinc/70/33/77/562703377.db2.gz LUMUIJMJIVQYQZ-UHFFFAOYSA-N 0 0 512.380 3.988 3 0 KHAFRN COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923009 562703423 /nfs/dbraw/zinc/70/34/23/562703423.db2.gz WZPWELQGKCLBGK-WXFUMESZSA-N 0 0 518.595 3.895 3 0 KHAFRN COc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923091 562703421 /nfs/dbraw/zinc/70/34/21/562703421.db2.gz AAEGREXQRKRIEY-SGNDLWITSA-N 0 0 518.595 3.895 3 0 KHAFRN COc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923146 562703419 /nfs/dbraw/zinc/70/34/19/562703419.db2.gz AAEGREXQRKRIEY-WXFUMESZSA-N 0 0 518.595 3.895 3 0 KHAFRN CCC/C=C/c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000061923732 562703515 /nfs/dbraw/zinc/70/35/15/562703515.db2.gz HUIYJWCSDDKPCN-WHVGEVHXSA-N 0 0 525.675 3.932 3 0 KHAFRN CCC/C=C/c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000061923735 562703481 /nfs/dbraw/zinc/70/34/81/562703481.db2.gz HUIYJWCSDDKPCN-AQBQYSGMSA-N 0 0 525.675 3.932 3 0 KHAFRN CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)C(=O)c1cccc(OC)c1 ZINC000061926991 562703637 /nfs/dbraw/zinc/70/36/37/562703637.db2.gz NXOSLSXZWSFXKI-UHFFFAOYSA-N 0 0 529.597 3.901 3 0 KHAFRN CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061928899 562703624 /nfs/dbraw/zinc/70/36/24/562703624.db2.gz AEANMVIARBEQSX-UHFFFAOYSA-N 0 0 529.597 3.788 3 0 KHAFRN O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000061942817 562703732 /nfs/dbraw/zinc/70/37/32/562703732.db2.gz YFCXXPFLQBJVLT-HSZRJFAPSA-N 0 0 502.615 3.691 3 0 KHAFRN O=C(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000061942819 562703712 /nfs/dbraw/zinc/70/37/12/562703712.db2.gz YFCXXPFLQBJVLT-QHCPKHFHSA-N 0 0 502.615 3.691 3 0 KHAFRN 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CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)CN(Cc3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000072105022 562720665 /nfs/dbraw/zinc/72/06/65/562720665.db2.gz AMSQOXLCNAJNKC-LLHPUKMZSA-N 0 0 547.833 3.975 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)c(C)c1 ZINC000072119613 562723817 /nfs/dbraw/zinc/72/38/17/562723817.db2.gz DHMFTTKSLNFDKC-GDLZYMKVSA-N 0 0 581.739 3.524 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)c(C)c1 ZINC000072119614 562723811 /nfs/dbraw/zinc/72/38/11/562723811.db2.gz DHMFTTKSLNFDKC-LJAQVGFWSA-N 0 0 581.739 3.524 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072120491 562724048 /nfs/dbraw/zinc/72/40/48/562724048.db2.gz UXGHSQQMFWRUHN-BALWLHIASA-N 0 0 587.739 3.755 3 0 KHAFRN O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H]2CCCN2C1=O)N(CCO)Cc1ccccc1 ZINC000072120506 562724058 /nfs/dbraw/zinc/72/40/58/562724058.db2.gz KUXKLBVJUASLRY-DZSHUCNRSA-N 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0 0 558.035 3.942 3 0 KHAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072121358 562724238 /nfs/dbraw/zinc/72/42/38/562724238.db2.gz HHHDVAKZBQFBNM-MUUNZHRXSA-N 0 0 602.157 3.950 3 0 KHAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072121359 562724246 /nfs/dbraw/zinc/72/42/46/562724246.db2.gz HHHDVAKZBQFBNM-NDEPHWFRSA-N 0 0 602.157 3.950 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1cc3ccccc3o1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072121371 562724221 /nfs/dbraw/zinc/72/42/21/562724221.db2.gz SXHMGUFMPPGZKP-NDEPHWFRSA-N 0 0 563.618 3.698 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1cc3ccccc3o1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072121372 562724218 /nfs/dbraw/zinc/72/42/18/562724218.db2.gz SXHMGUFMPPGZKP-MUUNZHRXSA-N 0 0 563.618 3.698 3 0 KHAFRN COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000072121388 562724231 /nfs/dbraw/zinc/72/42/31/562724231.db2.gz RVWGBGCCUHCQPN-NLVFCZGTSA-N 0 0 637.758 3.902 3 0 KHAFRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2ccccc2F)cc1 ZINC000072121441 562724254 /nfs/dbraw/zinc/72/42/54/562724254.db2.gz YZUXBWNAKGYIQD-CINPPDSJSA-N 0 0 546.620 3.886 3 0 KHAFRN O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCN1CCOCC1 ZINC000072122019 562724319 /nfs/dbraw/zinc/72/43/19/562724319.db2.gz FQCUBETZWDDTNR-RKBFCLKKSA-N 0 0 654.252 3.705 3 0 KHAFRN C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072122039 562724318 /nfs/dbraw/zinc/72/43/18/562724318.db2.gz MRZULJJYZVJQEM-JOCHJYFZSA-N 0 0 551.713 3.580 3 0 KHAFRN C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072122040 562724317 /nfs/dbraw/zinc/72/43/17/562724317.db2.gz MRZULJJYZVJQEM-QFIPXVFZSA-N 0 0 551.713 3.580 3 0 KHAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072122042 562724332 /nfs/dbraw/zinc/72/43/32/562724332.db2.gz YYHGFBGPKNHOEE-HHHXNRCGSA-N 0 0 588.130 3.560 3 0 KHAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072122043 562724377 /nfs/dbraw/zinc/72/43/77/562724377.db2.gz YYHGFBGPKNHOEE-MHZLTWQESA-N 0 0 588.130 3.560 3 0 KHAFRN O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072122078 562724390 /nfs/dbraw/zinc/72/43/90/562724390.db2.gz IBLUARLVFGAPTI-RUZDIDTESA-N 0 0 546.668 3.708 3 0 KHAFRN O=C(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072122079 562724350 /nfs/dbraw/zinc/72/43/50/562724350.db2.gz IBLUARLVFGAPTI-VWLOTQADSA-N 0 0 546.668 3.708 3 0 KHAFRN C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072122081 562724389 /nfs/dbraw/zinc/72/43/89/562724389.db2.gz SJXZSODJDZPLMC-GOSISDBHSA-N 0 0 594.521 3.578 3 0 KHAFRN C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072122082 562724360 /nfs/dbraw/zinc/72/43/60/562724360.db2.gz SJXZSODJDZPLMC-SFHVURJKSA-N 0 0 594.521 3.578 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000072123581 562724746 /nfs/dbraw/zinc/72/47/46/562724746.db2.gz FIAYWUCANMVYAY-YCRNBWNJSA-N 0 0 578.757 3.743 3 0 KHAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCN2CCOCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072126823 562725429 /nfs/dbraw/zinc/72/54/29/562725429.db2.gz MKYFJIRZPVGKIY-VBAODIHYSA-N 0 0 655.840 3.876 3 0 KHAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCN2CCOCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072126824 562725452 /nfs/dbraw/zinc/72/54/52/562725452.db2.gz MKYFJIRZPVGKIY-QZPCSKBNSA-N 0 0 655.840 3.876 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccc5c(c4)OCO5)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072126832 562725483 /nfs/dbraw/zinc/72/54/83/562725483.db2.gz DJDQNOUMNIFKEJ-TWUWCHPWSA-N 0 0 640.715 3.609 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000072127015 562725517 /nfs/dbraw/zinc/72/55/17/562725517.db2.gz QBQMLXFMHIYZKN-FNFPNEPISA-N 0 0 654.742 3.538 3 0 KHAFRN CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127051 562725665 /nfs/dbraw/zinc/72/56/65/562725665.db2.gz XQKULONFBUZZPG-PYXOYRQQSA-N 0 0 710.832 3.692 3 0 KHAFRN CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127673 562725772 /nfs/dbraw/zinc/72/57/72/562725772.db2.gz UZXFDXOPDJGPQM-MEZBLVROSA-N 0 0 666.779 3.524 3 0 KHAFRN CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127674 562725740 /nfs/dbraw/zinc/72/57/40/562725740.db2.gz UZXFDXOPDJGPQM-GHBMEKOBSA-N 0 0 666.779 3.524 3 0 KHAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127686 562725807 /nfs/dbraw/zinc/72/58/07/562725807.db2.gz WCDSDGWAOQZEHR-BOCHCHAHSA-N 0 0 679.822 3.928 3 0 KHAFRN COc1ccc([C@@H](c2nnnn2-c2ccc(OC)cc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072127848 562725943 /nfs/dbraw/zinc/72/59/43/562725943.db2.gz SKBQQYXZQRAUKO-SANMLTNESA-N 0 0 511.586 3.749 3 0 KHAFRN COc1ccc([C@H](c2nnnn2-c2ccc(OC)cc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072127849 562725954 /nfs/dbraw/zinc/72/59/54/562725954.db2.gz SKBQQYXZQRAUKO-AREMUKBSSA-N 0 0 511.586 3.749 3 0 KHAFRN O=C1c2ccccc2C(=O)N1CCCCc1cn(C[C@H]2CC[C@@H]([C@@H]3CC[C@H](Cn4cc(CCCCN5C(=O)c6ccccc6C5=O)nn4)O3)O2)nn1 ZINC000072127991 562726031 /nfs/dbraw/zinc/72/60/31/562726031.db2.gz UOFGARTWDZUWNM-RJNBBFARSA-N 0 0 706.804 3.903 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Cc4cn(C)c5ccccc45)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000072128627 562726156 /nfs/dbraw/zinc/72/61/56/562726156.db2.gz TWWONBNKBFMJPN-JDNLVSNKSA-N 0 0 648.782 3.909 3 0 KHAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1CCCN1CCCC1=O ZINC000072128700 562726257 /nfs/dbraw/zinc/72/62/57/562726257.db2.gz HWVVJMYWYZRMFA-JOCHJYFZSA-N 0 0 502.700 3.606 3 0 KHAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CCCN1CCCC1=O ZINC000072128701 562726240 /nfs/dbraw/zinc/72/62/40/562726240.db2.gz HWVVJMYWYZRMFA-QFIPXVFZSA-N 0 0 502.700 3.606 3 0 KHAFRN CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072128769 562726271 /nfs/dbraw/zinc/72/62/71/562726271.db2.gz PHZPMFNVSPUJSM-WPPVRRQJSA-N 0 0 645.204 3.672 3 0 KHAFRN CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072128822 562726332 /nfs/dbraw/zinc/72/63/32/562726332.db2.gz CJQDFEHJRCFYIT-OEUPRRPISA-N 0 0 735.886 3.536 3 0 KHAFRN CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072129949 562726629 /nfs/dbraw/zinc/72/66/29/562726629.db2.gz MZRTZYJXIUZJHM-IOVYGBPGSA-N 0 0 686.854 3.697 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000072129985 562726646 /nfs/dbraw/zinc/72/66/46/562726646.db2.gz LBCRFVNFMQHAAV-NJNPRVFISA-N 0 0 571.618 3.508 3 0 KHAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072132512 562726846 /nfs/dbraw/zinc/72/68/46/562726846.db2.gz ANNOHIVXHDEDTC-MUUNZHRXSA-N 0 0 599.729 3.826 3 0 KHAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072132516 562726853 /nfs/dbraw/zinc/72/68/53/562726853.db2.gz ANNOHIVXHDEDTC-NDEPHWFRSA-N 0 0 599.729 3.826 3 0 KHAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072134053 562727168 /nfs/dbraw/zinc/72/71/68/562727168.db2.gz AJXXMZKFJCZGSL-HHHXNRCGSA-N 0 0 551.644 3.924 3 0 KHAFRN CC(C)[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072134054 562727166 /nfs/dbraw/zinc/72/71/66/562727166.db2.gz AJXXMZKFJCZGSL-MHZLTWQESA-N 0 0 551.644 3.924 3 0 KHAFRN CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134134 562727203 /nfs/dbraw/zinc/72/72/03/562727203.db2.gz YDPFWWWAGGUQJY-UJDSTYJJSA-N 0 0 655.796 3.599 3 0 KHAFRN CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134135 562727186 /nfs/dbraw/zinc/72/71/86/562727186.db2.gz YDPFWWWAGGUQJY-WODKQQOUSA-N 0 0 655.796 3.599 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072134174 562727239 /nfs/dbraw/zinc/72/72/39/562727239.db2.gz CGNAROPBKIWTAJ-HQLBTAIYSA-N 0 0 640.715 3.609 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072134211 562727261 /nfs/dbraw/zinc/72/72/61/562727261.db2.gz WSOMYFFEZLSIEY-GDLZYMKVSA-N 0 0 595.766 3.996 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072134212 562727252 /nfs/dbraw/zinc/72/72/52/562727252.db2.gz WSOMYFFEZLSIEY-LJAQVGFWSA-N 0 0 595.766 3.996 3 0 KHAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc(OC)cc4)c(OC)c3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000072134233 562727310 /nfs/dbraw/zinc/72/73/10/562727310.db2.gz XJFDAXUAIYENPO-ACXCVDCASA-N 0 0 528.605 3.791 3 0 KHAFRN COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(C)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC ZINC000072134239 562727315 /nfs/dbraw/zinc/72/73/15/562727315.db2.gz SSFXXKKOMSEXOR-RGZAKNEDSA-N 0 0 609.123 3.640 3 0 KHAFRN COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072134781 562727297 /nfs/dbraw/zinc/72/72/97/562727297.db2.gz HFECNEWDFAPWDF-MUUNZHRXSA-N 0 0 563.680 3.794 3 0 KHAFRN COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072134782 562727289 /nfs/dbraw/zinc/72/72/89/562727289.db2.gz HFECNEWDFAPWDF-NDEPHWFRSA-N 0 0 563.680 3.794 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4cc(-c5ccccc5)ccc4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000072134812 562727338 /nfs/dbraw/zinc/72/73/38/562727338.db2.gz SECJTBYSRVIKRY-WBPCDWGQSA-N 0 0 520.651 3.878 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000072134815 562727363 /nfs/dbraw/zinc/72/73/63/562727363.db2.gz OWEDUDDGVFZQRT-CEYNDMKZSA-N 0 0 652.696 3.553 3 0 KHAFRN COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072134865 562727372 /nfs/dbraw/zinc/72/73/72/562727372.db2.gz IEZSWNLSJHDJLH-MPCXXSGUSA-N 0 0 677.887 3.777 3 0 KHAFRN C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000072134981 562727426 /nfs/dbraw/zinc/72/74/26/562727426.db2.gz NVYZFZLZRGGNKQ-LJQANCHMSA-N 0 0 540.045 3.803 3 0 KHAFRN C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000072134982 562727429 /nfs/dbraw/zinc/72/74/29/562727429.db2.gz NVYZFZLZRGGNKQ-IBGZPJMESA-N 0 0 540.045 3.803 3 0 KHAFRN CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072135025 562727472 /nfs/dbraw/zinc/72/74/72/562727472.db2.gz KAGLEIWEUBWMAA-ICYTYCEGSA-N 0 0 620.150 3.828 3 0 KHAFRN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000072135034 562727467 /nfs/dbraw/zinc/72/74/67/562727467.db2.gz RYKKAULOJFSOPH-XFAGBWLFSA-N 0 0 603.635 3.576 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000072135040 562727464 /nfs/dbraw/zinc/72/74/64/562727464.db2.gz DIJWLOGFEXHUFB-FYQCMVGJSA-N 0 0 566.680 3.871 3 0 KHAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1 ZINC000072135678 562727514 /nfs/dbraw/zinc/72/75/14/562727514.db2.gz IKEBWQKTNAKFQD-AREMUKBSSA-N 0 0 566.659 3.709 3 0 KHAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1 ZINC000072135679 562727513 /nfs/dbraw/zinc/72/75/13/562727513.db2.gz IKEBWQKTNAKFQD-SANMLTNESA-N 0 0 566.659 3.709 3 0 KHAFRN CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C)C(C)C ZINC000072135681 562727530 /nfs/dbraw/zinc/72/75/30/562727530.db2.gz PAWISBCINYCBJV-KVUJLMPWSA-N 0 0 586.177 3.541 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000072135732 562727574 /nfs/dbraw/zinc/72/75/74/562727574.db2.gz ZQSZRRKBISDGMW-XLNZFTOWSA-N 0 0 563.742 3.808 3 0 KHAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072135760 562727545 /nfs/dbraw/zinc/72/75/45/562727545.db2.gz CZVISZGXFGCPCL-GDLZYMKVSA-N 0 0 577.707 3.668 3 0 KHAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072135761 562727583 /nfs/dbraw/zinc/72/75/83/562727583.db2.gz CZVISZGXFGCPCL-LJAQVGFWSA-N 0 0 577.707 3.668 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072135776 562727549 /nfs/dbraw/zinc/72/75/49/562727549.db2.gz SNZHUGFOYQNNST-GDLZYMKVSA-N 0 0 581.739 3.605 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072135777 562727585 /nfs/dbraw/zinc/72/75/85/562727585.db2.gz SNZHUGFOYQNNST-LJAQVGFWSA-N 0 0 581.739 3.605 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072135780 562727562 /nfs/dbraw/zinc/72/75/62/562727562.db2.gz DXPRDMNKZSHRQL-YGKZAACZSA-N 0 0 589.608 3.648 3 0 KHAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1 ZINC000072135823 562727613 /nfs/dbraw/zinc/72/76/13/562727613.db2.gz RHYRVHOYFRQFHK-HHHXNRCGSA-N 0 0 548.669 3.570 3 0 KHAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1 ZINC000072135824 562727607 /nfs/dbraw/zinc/72/76/07/562727607.db2.gz RHYRVHOYFRQFHK-MHZLTWQESA-N 0 0 548.669 3.570 3 0 KHAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2Cl)cc1 ZINC000072135853 562727625 /nfs/dbraw/zinc/72/76/25/562727625.db2.gz VRAKYXQETKPCQG-HHHXNRCGSA-N 0 0 606.120 3.699 3 0 KHAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2Cl)cc1 ZINC000072135854 562727631 /nfs/dbraw/zinc/72/76/31/562727631.db2.gz VRAKYXQETKPCQG-MHZLTWQESA-N 0 0 606.120 3.699 3 0 KHAFRN CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)COC1=O ZINC000072135886 562727626 /nfs/dbraw/zinc/72/76/26/562727626.db2.gz LSKNWFVVOAAVOJ-DGAVKHMHSA-N 0 0 592.733 3.983 3 0 KHAFRN COc1ccc(-n2nnnc2[C@@H](c2cccc(OC)c2OC)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072135890 562727614 /nfs/dbraw/zinc/72/76/14/562727614.db2.gz CZUUBTMBWIPTOF-AREMUKBSSA-N 0 0 541.612 3.758 3 0 KHAFRN COc1ccc(-n2nnnc2[C@H](c2cccc(OC)c2OC)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072135891 562727636 /nfs/dbraw/zinc/72/76/36/562727636.db2.gz CZUUBTMBWIPTOF-SANMLTNESA-N 0 0 541.612 3.758 3 0 KHAFRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)O3)cc1 ZINC000072135974 562727679 /nfs/dbraw/zinc/72/76/79/562727679.db2.gz DMZZYCROSVWBAL-NCXSOUSFSA-N 0 0 652.191 3.690 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc1OC(F)(F)F)CC2 ZINC000072135987 562727684 /nfs/dbraw/zinc/72/76/84/562727684.db2.gz KBDUMPFMXSYNNT-SANMLTNESA-N 0 0 607.593 3.850 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc1OC(F)(F)F)CC2 ZINC000072135988 562727714 /nfs/dbraw/zinc/72/77/14/562727714.db2.gz KBDUMPFMXSYNNT-AREMUKBSSA-N 0 0 607.593 3.850 3 0 KHAFRN COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)cc4)cc3)[C@H](CC(C)C)C2=O)nn1 ZINC000072135990 562727712 /nfs/dbraw/zinc/72/77/12/562727712.db2.gz MYIQEGWVZVDKQE-HHHXNRCGSA-N 0 0 590.146 3.808 3 0 KHAFRN COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](CC(C)C)C2=O)nn1 ZINC000072135991 562727709 /nfs/dbraw/zinc/72/77/09/562727709.db2.gz MYIQEGWVZVDKQE-MHZLTWQESA-N 0 0 590.146 3.808 3 0 KHAFRN C(=C/c1ccccc1)\CN1CCN([C@@H](c2cccs2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072136014 562727687 /nfs/dbraw/zinc/72/76/87/562727687.db2.gz LRMKKIJSBZZQFU-SVNLLAJMSA-N 0 0 500.628 3.915 3 0 KHAFRN C(=C/c1ccccc1)\CN1CCN([C@H](c2cccs2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072136015 562727701 /nfs/dbraw/zinc/72/77/01/562727701.db2.gz LRMKKIJSBZZQFU-GAAFDJBNSA-N 0 0 500.628 3.915 3 0 KHAFRN COc1cccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072136046 562727689 /nfs/dbraw/zinc/72/76/89/562727689.db2.gz AODFCJCOGPNZDI-MHZLTWQESA-N 0 0 569.622 3.520 3 0 KHAFRN COc1cccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072136047 562727686 /nfs/dbraw/zinc/72/76/86/562727686.db2.gz AODFCJCOGPNZDI-HHHXNRCGSA-N 0 0 569.622 3.520 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000072136116 562727727 /nfs/dbraw/zinc/72/77/27/562727727.db2.gz GFSCIXLFWMXIKM-ASHZAFPQSA-N 0 0 590.718 3.821 3 0 KHAFRN CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O ZINC000072136158 562727784 /nfs/dbraw/zinc/72/77/84/562727784.db2.gz PHIZOWDZAZLUGA-MROJVTNASA-N 0 0 578.706 3.811 3 0 KHAFRN COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072136259 562727813 /nfs/dbraw/zinc/72/78/13/562727813.db2.gz GNVDSUVOYHDDAN-FYQCMVGJSA-N 0 0 596.706 3.880 3 0 KHAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072136341 562727865 /nfs/dbraw/zinc/72/78/65/562727865.db2.gz NKTLPAWVQTWNFH-HHHXNRCGSA-N 0 0 533.654 3.785 3 0 KHAFRN CC(C)[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072136342 562727850 /nfs/dbraw/zinc/72/78/50/562727850.db2.gz NKTLPAWVQTWNFH-MHZLTWQESA-N 0 0 533.654 3.785 3 0 KHAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072136379 562727897 /nfs/dbraw/zinc/72/78/97/562727897.db2.gz PHWJISJQSJVHKD-BYAHSPKBSA-N 0 0 678.786 3.836 3 0 KHAFRN COc1ccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136449 562727941 /nfs/dbraw/zinc/72/79/41/562727941.db2.gz AREJYQOOUDRLED-SQPLFZEDSA-N 0 0 524.625 3.863 3 0 KHAFRN COc1ccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136450 562727959 /nfs/dbraw/zinc/72/79/59/562727959.db2.gz AREJYQOOUDRLED-GPQZBTEDSA-N 0 0 524.625 3.863 3 0 KHAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000072136485 562727968 /nfs/dbraw/zinc/72/79/68/562727968.db2.gz NINBPFVDEPWHKZ-BNJCFXFUSA-N 0 0 624.716 3.909 3 0 KHAFRN C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCOCC1 ZINC000072136496 562727997 /nfs/dbraw/zinc/72/79/97/562727997.db2.gz ANKAZAWIAPVCKI-GYHLDHQBSA-N 0 0 595.700 3.667 3 0 KHAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccccc3)c(C(=O)NCCCc3ccccc3)c2)OC1(C)C ZINC000072136532 562728034 /nfs/dbraw/zinc/72/80/34/562728034.db2.gz WKUPDIXEKXZFPT-NFWVVERESA-N 0 0 505.611 3.967 3 0 KHAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(C)(=O)=O)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072136586 562728048 /nfs/dbraw/zinc/72/80/48/562728048.db2.gz DDZZKLXHTCIGTN-IOKPGSKQSA-N 0 0 568.696 3.524 3 0 KHAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000072136600 562728047 /nfs/dbraw/zinc/72/80/47/562728047.db2.gz SIBZFSBHFUJKLO-SANMLTNESA-N 0 0 554.647 3.831 3 0 KHAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000072136601 562728062 /nfs/dbraw/zinc/72/80/62/562728062.db2.gz SIBZFSBHFUJKLO-AREMUKBSSA-N 0 0 554.647 3.831 3 0 KHAFRN COc1ccc(CNC(=O)O[C@@H]2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]3C)[C@@H]2O)cc1OC ZINC000072136627 562728046 /nfs/dbraw/zinc/72/80/46/562728046.db2.gz LTDINGYPAQGTGX-ZSXHZNEVSA-N 0 0 677.776 3.504 3 0 KHAFRN COc1ccccc1-c1ccc(O[C@@H]2OC(C)(C)[C@H](OC)[C@@H](O)[C@H]2O)cc1C(=O)NCc1ccccc1 ZINC000072136649 562728116 /nfs/dbraw/zinc/72/81/16/562728116.db2.gz YCEPLLVVDZUVHP-QALYSUAOSA-N 0 0 507.583 3.543 3 0 KHAFRN COc1cccc([C@@H](c2nnnn2C2CCCC2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072136662 562728084 /nfs/dbraw/zinc/72/80/84/562728084.db2.gz HCOOSWIDYAEOQJ-DEOSSOPVSA-N 0 0 503.607 3.875 3 0 KHAFRN COc1cccc([C@H](c2nnnn2C2CCCC2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072136663 562728103 /nfs/dbraw/zinc/72/81/03/562728103.db2.gz HCOOSWIDYAEOQJ-XMMPIXPASA-N 0 0 503.607 3.875 3 0 KHAFRN O=C(C[C@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000072136687 562728097 /nfs/dbraw/zinc/72/80/97/562728097.db2.gz IIKGGDHTRPIQQL-IHEARTCTSA-N 0 0 536.644 3.595 3 0 KHAFRN CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000072136743 562728131 /nfs/dbraw/zinc/72/81/31/562728131.db2.gz UKHGUZKAUIDABC-KUYWTNKVSA-N 0 0 643.684 3.644 3 0 KHAFRN COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000072136796 562728123 /nfs/dbraw/zinc/72/81/23/562728123.db2.gz MFRQFLYCYYWTOJ-FVCFNFBRSA-N 0 0 575.065 3.731 3 0 KHAFRN COc1ccc(-c2ccc(O[C@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCCc2ccccc2)cc1 ZINC000072136843 562728161 /nfs/dbraw/zinc/72/81/61/562728161.db2.gz HYSSAMYTSASKNO-ODNCNNFYSA-N 0 0 521.610 3.585 3 0 KHAFRN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)O3)cc1 ZINC000072136852 562728183 /nfs/dbraw/zinc/72/81/83/562728183.db2.gz MEYAITLLUVMHFV-HHJKRLRDSA-N 0 0 602.735 3.942 3 0 KHAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072136902 562728202 /nfs/dbraw/zinc/72/82/02/562728202.db2.gz ZURMLLZUZNHOOJ-ZUSSQJSTSA-N 0 0 643.785 3.678 3 0 KHAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072136944 562728229 /nfs/dbraw/zinc/72/82/29/562728229.db2.gz FVBMANNWVHBCBY-FYQCMVGJSA-N 0 0 596.706 3.880 3 0 KHAFRN O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000072137491 562728299 /nfs/dbraw/zinc/72/82/99/562728299.db2.gz YGBAFXQFZPTZIL-RYXNGCSISA-N 0 0 550.671 3.985 3 0 KHAFRN CC(C)(C)OC(=O)NCCCCCNC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000072137547 562728285 /nfs/dbraw/zinc/72/82/85/562728285.db2.gz PHJFHUNBRJIQEX-FQEVSTJZSA-N 0 0 543.665 3.517 3 0 KHAFRN CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(Br)cc1 ZINC000072137586 562728328 /nfs/dbraw/zinc/72/83/28/562728328.db2.gz IRYMPOPIOPHKJF-FVCFNFBRSA-N 0 0 586.486 3.919 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137631 562728316 /nfs/dbraw/zinc/72/83/16/562728316.db2.gz PYOYYTAZFXXAGI-MHZLTWQESA-N 0 0 507.642 3.824 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137632 562728336 /nfs/dbraw/zinc/72/83/36/562728336.db2.gz PYOYYTAZFXXAGI-HHHXNRCGSA-N 0 0 507.642 3.824 3 0 KHAFRN COc1cccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072137650 562728349 /nfs/dbraw/zinc/72/83/49/562728349.db2.gz PJJHTURFSAPGHM-SANMLTNESA-N 0 0 525.613 3.808 3 0 KHAFRN COc1cccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072137651 562728310 /nfs/dbraw/zinc/72/83/10/562728310.db2.gz PJJHTURFSAPGHM-AREMUKBSSA-N 0 0 525.613 3.808 3 0 KHAFRN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000072137668 562728367 /nfs/dbraw/zinc/72/83/67/562728367.db2.gz XDBFNYAWTMNNFM-RLCGNTSFSA-N 0 0 613.708 3.606 3 0 KHAFRN CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCCC3=CCCCC3)C[C@H](C(=O)N3CCOCC3)[C@@]12C ZINC000072137684 562728387 /nfs/dbraw/zinc/72/83/87/562728387.db2.gz IPLXNBDJSABJDB-HBHMWIPXSA-N 0 0 631.818 3.680 3 0 KHAFRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@]3(C2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]2C[C@@H](OC(=O)Nc2cccs2)[C@H]3O)cc1 ZINC000072137725 562728359 /nfs/dbraw/zinc/72/83/59/562728359.db2.gz QJYNOVDIXZWDPY-PNACPKJNSA-N 0 0 609.726 3.871 3 0 KHAFRN Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072137787 562728395 /nfs/dbraw/zinc/72/83/95/562728395.db2.gz RQZRNEPXRYAJOE-RJYGXOMWSA-N 0 0 603.673 3.615 3 0 KHAFRN COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H](N(C)S(=O)(=O)c4ccccc4)[C@H]([C@H](C)O)C(=O)N2CC3)cc1 ZINC000072137829 562728448 /nfs/dbraw/zinc/72/84/48/562728448.db2.gz ZZFXLSBUCWWLCU-WBPCDWGQSA-N 0 0 520.651 3.878 3 0 KHAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccccc2)CC1 ZINC000072137844 562728437 /nfs/dbraw/zinc/72/84/37/562728437.db2.gz SDYSUGXLRUGDKW-SANMLTNESA-N 0 0 509.570 3.503 3 0 KHAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccccc2)CC1 ZINC000072137845 562728436 /nfs/dbraw/zinc/72/84/36/562728436.db2.gz SDYSUGXLRUGDKW-AREMUKBSSA-N 0 0 509.570 3.503 3 0 KHAFRN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000072137847 562728469 /nfs/dbraw/zinc/72/84/69/562728469.db2.gz ZTJDXQDTCXDQRU-FHAGJXEFSA-N 0 0 543.711 3.901 3 0 KHAFRN CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000072137876 562728504 /nfs/dbraw/zinc/72/85/04/562728504.db2.gz WSZFXUAZYTZWDX-FJRSXGRASA-N 0 0 561.560 3.785 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1cc3ccccc3o1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137900 562728487 /nfs/dbraw/zinc/72/84/87/562728487.db2.gz BVKRVFHPWYLUNY-HHHXNRCGSA-N 0 0 519.609 3.986 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1cc3ccccc3o1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137901 562728507 /nfs/dbraw/zinc/72/85/07/562728507.db2.gz BVKRVFHPWYLUNY-MHZLTWQESA-N 0 0 519.609 3.986 3 0 KHAFRN COc1cccc([C@@H](c2nnnn2C2CCCCC2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000072137904 562728476 /nfs/dbraw/zinc/72/84/76/562728476.db2.gz AAZUGNUPKATQLZ-VWLOTQADSA-N 0 0 531.661 3.713 3 0 KHAFRN COc1cccc([C@H](c2nnnn2C2CCCCC2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000072137905 562728505 /nfs/dbraw/zinc/72/85/05/562728505.db2.gz AAZUGNUPKATQLZ-RUZDIDTESA-N 0 0 531.661 3.713 3 0 KHAFRN CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(Br)c3)c2[C@H]1CCO ZINC000072137949 562728532 /nfs/dbraw/zinc/72/85/32/562728532.db2.gz ZIPSSLLAMHZUHR-BPJXYHRLSA-N 0 0 536.492 3.685 3 0 KHAFRN CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(Br)c3)c2[C@H]1CCO ZINC000072137950 562728544 /nfs/dbraw/zinc/72/85/44/562728544.db2.gz ZIPSSLLAMHZUHR-OGPYBGEISA-N 0 0 536.492 3.685 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072138171 562728655 /nfs/dbraw/zinc/72/86/55/562728655.db2.gz ANTOICFNZXDOFV-MUUNZHRXSA-N 0 0 581.739 3.605 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072138172 562728656 /nfs/dbraw/zinc/72/86/56/562728656.db2.gz ANTOICFNZXDOFV-NDEPHWFRSA-N 0 0 581.739 3.605 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(-c3cccs3)cc2)OCc2cnnn2CCCC1=O ZINC000072138183 562728705 /nfs/dbraw/zinc/72/87/05/562728705.db2.gz LQHROLCQRFFWPT-ROKPMTFOSA-N 0 0 540.690 3.695 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000072138229 562728699 /nfs/dbraw/zinc/72/86/99/562728699.db2.gz IOPNZHCYSMWXQZ-YZZKKUAISA-N 0 0 638.669 3.624 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](CCc1ccccc1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072138281 562728724 /nfs/dbraw/zinc/72/87/24/562728724.db2.gz XOMUVVCCLFYKKL-SANMLTNESA-N 0 0 551.651 3.536 3 0 KHAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](CCc1ccccc1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072138282 562728730 /nfs/dbraw/zinc/72/87/30/562728730.db2.gz XOMUVVCCLFYKKL-AREMUKBSSA-N 0 0 551.651 3.536 3 0 KHAFRN COc1ccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072138352 562728737 /nfs/dbraw/zinc/72/87/37/562728737.db2.gz HBHQUJCZBZVYES-MHZLTWQESA-N 0 0 539.596 3.512 3 0 KHAFRN COc1ccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072138353 562728757 /nfs/dbraw/zinc/72/87/57/562728757.db2.gz HBHQUJCZBZVYES-HHHXNRCGSA-N 0 0 539.596 3.512 3 0 KHAFRN CCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072138543 562728813 /nfs/dbraw/zinc/72/88/13/562728813.db2.gz LDWGMDQBPGKHGY-UHFFFAOYSA-N 0 0 562.534 3.793 3 0 KHAFRN O=C(Cc1ccc(NC(=O)C2CCN(C(=O)C3CCCC3)CC2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072138615 562728860 /nfs/dbraw/zinc/72/88/60/562728860.db2.gz CUZYXYIPRMNGRR-UHFFFAOYSA-N 0 0 546.668 3.708 3 0 KHAFRN CN1C(=O)[C@H]2[C@@H](/C=C/c3ccccc3)N3C(=O)CN(Cc4ccc(-c5ccccc5)cc4)C(=O)[C@@]3(C)[C@H]2C1=O ZINC000072139322 562728859 /nfs/dbraw/zinc/72/88/59/562728859.db2.gz YGXZNSWAQQFIIW-JDLYDCPHSA-N 0 0 519.601 3.610 3 0 KHAFRN COc1ccc([C@H](c2nnnn2-c2c(C)cccc2C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139341 562728856 /nfs/dbraw/zinc/72/88/56/562728856.db2.gz OQAYFFMODBATKX-HHHXNRCGSA-N 0 0 523.641 3.806 3 0 KHAFRN COc1ccc([C@@H](c2nnnn2-c2c(C)cccc2C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139342 562728874 /nfs/dbraw/zinc/72/88/74/562728874.db2.gz OQAYFFMODBATKX-MHZLTWQESA-N 0 0 523.641 3.806 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@H](C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)c(C)c1 ZINC000072139428 562728915 /nfs/dbraw/zinc/72/89/15/562728915.db2.gz ZQGGMTZKFDJWRP-JOCHJYFZSA-N 0 0 533.654 3.766 3 0 KHAFRN Cc1ccc(-c2ccc(CN3[C@@H](C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)c(C)c1 ZINC000072139429 562728944 /nfs/dbraw/zinc/72/89/44/562728944.db2.gz ZQGGMTZKFDJWRP-QFIPXVFZSA-N 0 0 533.654 3.766 3 0 KHAFRN CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(OC)cc1)O2 ZINC000072139445 562728926 /nfs/dbraw/zinc/72/89/26/562728926.db2.gz HBUDPAULOZCBLA-BBANNHEPSA-N 0 0 661.818 3.617 3 0 KHAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000072139484 562728947 /nfs/dbraw/zinc/72/89/47/562728947.db2.gz NBYCYLBFMZPBGH-VJUOEERUSA-N 0 0 527.415 3.630 3 0 KHAFRN CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(Cl)cc1 ZINC000072139560 562728984 /nfs/dbraw/zinc/72/89/84/562728984.db2.gz BHWPWWHANJZKKV-FVCFNFBRSA-N 0 0 542.035 3.809 3 0 KHAFRN O=C(Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072139600 562728946 /nfs/dbraw/zinc/72/89/46/562728946.db2.gz YHDRIMGFOUQKSB-UHFFFAOYSA-N 0 0 554.647 3.831 3 0 KHAFRN C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072139607 562728962 /nfs/dbraw/zinc/72/89/62/562728962.db2.gz OWQKHUCPCKIPJT-LJQANCHMSA-N 0 0 608.548 3.968 3 0 KHAFRN C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072139608 562729001 /nfs/dbraw/zinc/72/90/01/562729001.db2.gz OWQKHUCPCKIPJT-IBGZPJMESA-N 0 0 608.548 3.968 3 0 KHAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000072139609 562729028 /nfs/dbraw/zinc/72/90/28/562729028.db2.gz JNUWVHLFVKGYHH-SSEXGKCCSA-N 0 0 624.808 3.753 3 0 KHAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000072139610 562729004 /nfs/dbraw/zinc/72/90/04/562729004.db2.gz JNUWVHLFVKGYHH-PMERELPUSA-N 0 0 624.808 3.753 3 0 KHAFRN CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)COC1=O ZINC000072139651 562729020 /nfs/dbraw/zinc/72/90/20/562729020.db2.gz LSKNWFVVOAAVOJ-IMKJBPQDSA-N 0 0 592.733 3.983 3 0 KHAFRN COc1ccc(-n2nnnc2[C@@H](CCc2ccccc2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139658 562728996 /nfs/dbraw/zinc/72/89/96/562728996.db2.gz XLRWXRFHHYVTDA-HHHXNRCGSA-N 0 0 523.641 3.773 3 0 KHAFRN COc1ccc(-n2nnnc2[C@H](CCc2ccccc2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139659 562729016 /nfs/dbraw/zinc/72/90/16/562729016.db2.gz XLRWXRFHHYVTDA-MHZLTWQESA-N 0 0 523.641 3.773 3 0 KHAFRN O=C(Nc1cccc(Cl)c1)c1nc[nH]c1C(=O)NCCCCNC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1 ZINC000072139741 562729065 /nfs/dbraw/zinc/72/90/65/562729065.db2.gz OTSCZSVIGTVIQQ-UHFFFAOYSA-N 0 0 583.436 3.884 3 0 KHAFRN COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCc4ccc(Cl)cc4)O[C@@H](CO)[C@@H]2O3)c1 ZINC000072139785 562729055 /nfs/dbraw/zinc/72/90/55/562729055.db2.gz XHFXJTPXFPIUNX-IXQFDHPPSA-N 0 0 573.067 3.850 3 0 KHAFRN CCC/C=C/c1ccc(CN2[C@H](CC(C)C)C(=O)N(Cc3cn(CCC4OCCCO4)nn3)CCS2(=O)=O)cc1 ZINC000072139836 562729054 /nfs/dbraw/zinc/72/90/54/562729054.db2.gz KIQYRBDKRWSSPH-PMHUYKBPSA-N 0 0 573.760 3.833 3 0 KHAFRN CCC/C=C/c1ccc(CN2[C@@H](CC(C)C)C(=O)N(Cc3cn(CCC4OCCCO4)nn3)CCS2(=O)=O)cc1 ZINC000072139837 562729053 /nfs/dbraw/zinc/72/90/53/562729053.db2.gz KIQYRBDKRWSSPH-WZSLKZGSSA-N 0 0 573.760 3.833 3 0 KHAFRN CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(Br)cc1 ZINC000072139847 562729103 /nfs/dbraw/zinc/72/91/03/562729103.db2.gz FYTQEWWUHBRZNL-FJRSXGRASA-N 0 0 572.459 3.528 3 0 KHAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000072139919 562729067 /nfs/dbraw/zinc/72/90/67/562729067.db2.gz OKUSJGKWUDNQKJ-HHHXNRCGSA-N 0 0 588.130 3.560 3 0 KHAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000072139920 562729134 /nfs/dbraw/zinc/72/91/34/562729134.db2.gz OKUSJGKWUDNQKJ-MHZLTWQESA-N 0 0 588.130 3.560 3 0 KHAFRN O=C(C[C@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O[C@@H](c2ccccc2)CNC1=O)NCCO ZINC000072140748 562729138 /nfs/dbraw/zinc/72/91/38/562729138.db2.gz CZRCQHICTYEGOU-VKXSOTCQSA-N 0 0 611.695 3.759 3 0 KHAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000072140755 562729182 /nfs/dbraw/zinc/72/91/82/562729182.db2.gz KYAHKDXWSROQEB-BALWLHIASA-N 0 0 636.192 3.611 3 0 KHAFRN COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140783 562729157 /nfs/dbraw/zinc/72/91/57/562729157.db2.gz RCUNFUFMRPMKPJ-VWLOTQADSA-N 0 0 501.635 3.705 3 0 KHAFRN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140784 562729160 /nfs/dbraw/zinc/72/91/60/562729160.db2.gz RCUNFUFMRPMKPJ-RUZDIDTESA-N 0 0 501.635 3.705 3 0 KHAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000072140895 562729188 /nfs/dbraw/zinc/72/91/88/562729188.db2.gz GAZVZFMLRPJQGT-UHFFFAOYSA-N 0 0 554.647 3.831 3 0 KHAFRN O=C(C[C@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)N(CCO)Cc1ccccc1 ZINC000072140953 562729238 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/nfs/dbraw/zinc/78/93/56/562789356.db2.gz IBFNJHBZCKBINA-XLNZFTOWSA-N 0 0 541.649 3.609 3 0 KHAFRN CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095891955 562790278 /nfs/dbraw/zinc/79/02/78/562790278.db2.gz WJXMRNFMFUKLHD-JCTONOIOSA-N 0 0 500.640 3.685 3 0 KHAFRN COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C)O1 ZINC000095892609 562790279 /nfs/dbraw/zinc/79/02/79/562790279.db2.gz IHFHUJYSWKNBRD-HFSMHLIXSA-N 0 0 506.477 3.901 3 0 KHAFRN COC(=O)[C@H](CC(C)C)N(CCc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019942 562790345 /nfs/dbraw/zinc/79/03/45/562790345.db2.gz OXBCUJPEJIGJGO-QFIPXVFZSA-N 0 0 549.491 3.910 3 0 KHAFRN COc1ccc(-c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)cc2C(=O)NCc2ccccc2)cc1 ZINC000096021372 562790346 /nfs/dbraw/zinc/79/03/46/562790346.db2.gz MHNIVZGWSZKEQG-QALYSUAOSA-N 0 0 507.583 3.543 3 0 KHAFRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000096940210 562804898 /nfs/dbraw/zinc/80/48/98/562804898.db2.gz RUIUNGOEDRWCHE-HSZRJFAPSA-N 0 0 540.671 3.554 3 0 KHAFRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000096940211 562804925 /nfs/dbraw/zinc/80/49/25/562804925.db2.gz RUIUNGOEDRWCHE-QHCPKHFHSA-N 0 0 540.671 3.554 3 0 KHAFRN COc1cc(CCN(C(C)=O)[C@H]2C(=O)Nc3ccccc3N=C2c2ccc3c(c2)OCO3)cc(OC)c1 ZINC000103050732 562814120 /nfs/dbraw/zinc/81/41/20/562814120.db2.gz QYBINUUBVRQFPM-HHHXNRCGSA-N 0 0 501.539 3.965 3 0 KHAFRN COc1cc(CCN(C(C)=O)[C@@H]2C(=O)Nc3ccccc3N=C2c2ccc3c(c2)OCO3)cc(OC)c1 ZINC000103050735 562814157 /nfs/dbraw/zinc/81/41/57/562814157.db2.gz QYBINUUBVRQFPM-MHZLTWQESA-N 0 0 501.539 3.965 3 0 KHAFRN CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc4c(c3)OCO4)[C@@H]2C(=O)NCc2ccccc2)CC1 ZINC000103121593 562814343 /nfs/dbraw/zinc/81/43/43/562814343.db2.gz VWCIADBTPZIOPY-GDLZYMKVSA-N 0 0 538.604 3.826 3 0 KHAFRN CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc4c(c3)OCO4)[C@H]2C(=O)NCc2ccccc2)CC1 ZINC000103121596 562814355 /nfs/dbraw/zinc/81/43/55/562814355.db2.gz VWCIADBTPZIOPY-LJAQVGFWSA-N 0 0 538.604 3.826 3 0 KHAFRN CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(C)C(=O)Nc1ccccc1OC ZINC000104131024 562825055 /nfs/dbraw/zinc/82/50/55/562825055.db2.gz VTWIIZBIAUGJRM-UHFFFAOYSA-N 0 0 530.585 3.765 3 0 KHAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000104189380 562825095 /nfs/dbraw/zinc/82/50/95/562825095.db2.gz OBRRJIQGSPGQMT-UHFFFAOYSA-N 0 0 546.668 3.708 3 0 KHAFRN O=C1NC[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCc2ccc(O)cc2)C1=O ZINC000169302935 562853138 /nfs/dbraw/zinc/85/31/38/562853138.db2.gz IBPHGXUKTNGZDY-IHLOFXLRSA-N 0 0 602.776 3.685 3 0 KHAFRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000169303395 562853213 /nfs/dbraw/zinc/85/32/13/562853213.db2.gz VKGLWKXNFCCJJS-CVSNDOPFSA-N 0 0 514.603 3.752 3 0 KHAFRN COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3ccccn3)CC(C(=O)N3CCCCCC3)=C2C)cc1 ZINC000169305026 562853381 /nfs/dbraw/zinc/85/33/81/562853381.db2.gz DOQZJBLURWFJDU-XMMPIXPASA-N 0 0 518.658 3.864 3 0 KHAFRN COc1ccc(CN2C(=O)[C@H](CC(=O)NCCc3ccccn3)CC(C(=O)N3CCCCCC3)=C2C)cc1 ZINC000169305027 562853394 /nfs/dbraw/zinc/85/33/94/562853394.db2.gz DOQZJBLURWFJDU-DEOSSOPVSA-N 0 0 518.658 3.864 3 0 KHAFRN CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(Br)c3)c2[C@@H]1CCO ZINC000169305107 562853408 /nfs/dbraw/zinc/85/34/08/562853408.db2.gz ZIPSSLLAMHZUHR-KGMZSHBCSA-N 0 0 536.492 3.685 3 0 KHAFRN O=C1NC[C@H](CCCCN2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000169339944 562860545 /nfs/dbraw/zinc/86/05/45/562860545.db2.gz FDVGTXPTFAKPBX-KYJUHHDHSA-N 0 0 602.776 3.685 3 0 KHAFRN CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccs3)C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000169340976 562860723 /nfs/dbraw/zinc/86/07/23/562860723.db2.gz IZZBZNQCCPBBAU-RPWUZVMVSA-N 0 0 564.689 3.852 3 0 KHAFRN CC(C)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000169659729 562864984 /nfs/dbraw/zinc/86/49/84/562864984.db2.gz GCKODGMYILQELF-LTGLEFCMSA-N 0 0 598.608 3.866 3 0 KHAFRN CC(C)C[C@H]1CN(CCCC[C@@H]2CNC(=O)C(=O)N2CC2CCCCC2)C(=O)C(=O)N1CC1CCCCC1 ZINC000199226213 562872936 /nfs/dbraw/zinc/87/29/36/562872936.db2.gz BPRFYOPUSRTEBL-FTJBHMTQSA-N 0 0 530.754 3.730 3 0 KHAFRN CCOC1=C2[C@H](c3ccccc3F)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000199361418 562872968 /nfs/dbraw/zinc/87/29/68/562872968.db2.gz LWAMGNJMECQNKA-SQHAQQRYSA-N 0 0 562.623 3.539 3 0 KHAFRN