smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccnc2ccccc21 ZINC000245237561 1071254155 /nfs/dbraw/zinc/25/41/55/1071254155.db2.gz NPMIODMZVRTOMZ-LPOMREIJSA-N 0 3 555.143 7.975 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1Cc1ccccc1 ZINC000005351292 552498344 /nfs/dbraw/zinc/49/83/44/552498344.db2.gz KCYCVRUCVJFQLN-UHFFFAOYSA-N 0 3 545.690 7.150 50 30 KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000008431280 553022673 /nfs/dbraw/zinc/02/26/73/553022673.db2.gz KHTBQXMEHFNCNM-OEIIGFEWSA-N 0 3 512.694 6.726 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000008902292 553182816 /nfs/dbraw/zinc/18/28/16/553182816.db2.gz CTXZKNLSJGXQFU-NPJIAGGLSA-N 0 3 504.627 5.502 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Br)c1 ZINC000008987376 553196622 /nfs/dbraw/zinc/19/66/22/553196622.db2.gz UKLNPICEFYUIKF-DEOSSOPVSA-N 0 3 529.475 5.322 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000008996221 553197150 /nfs/dbraw/zinc/19/71/50/553197150.db2.gz YRLVPKFETQGISU-HHHXNRCGSA-N 0 3 502.586 5.243 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009123048 553212280 /nfs/dbraw/zinc/21/22/80/553212280.db2.gz LRDAHYZHZUUOFL-HHHXNRCGSA-N 0 3 529.593 5.012 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009177203 553216450 /nfs/dbraw/zinc/21/64/50/553216450.db2.gz LAAVDVGZDFEZNZ-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000009312300 553240336 /nfs/dbraw/zinc/24/03/36/553240336.db2.gz CQZQRICXUAOGMF-TXTDGAROSA-N 0 3 514.622 5.043 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000009312300 553240337 /nfs/dbraw/zinc/24/03/37/553240337.db2.gz CQZQRICXUAOGMF-TXTDGAROSA-N 0 3 514.622 5.043 50 30 KKEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009312951 553240747 /nfs/dbraw/zinc/24/07/47/553240747.db2.gz PAVMNULEVWRBCP-LGGPFLRQSA-N 0 3 526.633 5.119 50 30 KKEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009313063 553240984 /nfs/dbraw/zinc/24/09/84/553240984.db2.gz IURHMKDFFVVRDN-MUUNZHRXSA-N 0 3 514.622 5.113 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(O)c1 ZINC000013552892 553470951 /nfs/dbraw/zinc/47/09/51/553470951.db2.gz XAIGWPSSHGMZQA-MUUNZHRXSA-N 0 3 514.622 5.200 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731022 553576877 /nfs/dbraw/zinc/57/68/77/553576877.db2.gz TVEHBOBGQAUHIK-AREMUKBSSA-N 0 3 512.622 5.323 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016733127 553577912 /nfs/dbraw/zinc/57/79/12/553577912.db2.gz WRDZRBXFYAWCHW-HSZRJFAPSA-N 0 3 503.426 5.478 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016733127 553577914 /nfs/dbraw/zinc/57/79/14/553577914.db2.gz WRDZRBXFYAWCHW-HSZRJFAPSA-N 0 3 503.426 5.478 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)cc1 ZINC000020171593 553602085 /nfs/dbraw/zinc/60/20/85/553602085.db2.gz OBJGKHCFPASYGR-MUUNZHRXSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(F)cc1 ZINC000020231112 553617558 /nfs/dbraw/zinc/61/75/58/553617558.db2.gz RSJMXSOULHMWDP-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(F)cc1 ZINC000020231112 553617559 /nfs/dbraw/zinc/61/75/59/553617559.db2.gz RSJMXSOULHMWDP-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020233740 553619360 /nfs/dbraw/zinc/61/93/60/553619360.db2.gz YMHSLMZZATUJET-LJAQVGFWSA-N 0 3 512.650 5.666 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938451 553637716 /nfs/dbraw/zinc/63/77/16/553637716.db2.gz QRRWHQRIIGJUFJ-KCWXNJEJSA-N 0 3 526.633 5.722 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938451 553637718 /nfs/dbraw/zinc/63/77/18/553637718.db2.gz QRRWHQRIIGJUFJ-KCWXNJEJSA-N 0 3 526.633 5.722 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938452 553637776 /nfs/dbraw/zinc/63/77/76/553637776.db2.gz QRRWHQRIIGJUFJ-PBBNMVCDSA-N 0 3 526.633 5.722 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938452 553637778 /nfs/dbraw/zinc/63/77/78/553637778.db2.gz QRRWHQRIIGJUFJ-PBBNMVCDSA-N 0 3 526.633 5.722 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000020064679 553674976 /nfs/dbraw/zinc/67/49/76/553674976.db2.gz AYSBIFSHDLOEQX-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000020064679 553674979 /nfs/dbraw/zinc/67/49/79/553674979.db2.gz AYSBIFSHDLOEQX-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(F)cc1 ZINC000020064681 553675463 /nfs/dbraw/zinc/67/54/63/553675463.db2.gz AYSBIFSHDLOEQX-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(F)cc1 ZINC000020064681 553675467 /nfs/dbraw/zinc/67/54/67/553675467.db2.gz AYSBIFSHDLOEQX-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000020081756 553680715 /nfs/dbraw/zinc/68/07/15/553680715.db2.gz MYUSLYCFSMBHGU-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000020081756 553680718 /nfs/dbraw/zinc/68/07/18/553680718.db2.gz MYUSLYCFSMBHGU-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020082213 553680927 /nfs/dbraw/zinc/68/09/27/553680927.db2.gz KYCXJKNZBBNZLU-GDLZYMKVSA-N 0 3 512.650 5.666 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccs1 ZINC000020101152 553686858 /nfs/dbraw/zinc/68/68/58/553686858.db2.gz YXRJCSYGRQZYFT-AREMUKBSSA-N 0 3 504.652 5.556 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000020102972 553687710 /nfs/dbraw/zinc/68/77/10/553687710.db2.gz WXPDNEINFVUVKP-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080758 553788472 /nfs/dbraw/zinc/78/84/72/553788472.db2.gz IOEGZGDCTYAIRA-HSZRJFAPSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080758 553788473 /nfs/dbraw/zinc/78/84/73/553788473.db2.gz IOEGZGDCTYAIRA-HSZRJFAPSA-N 0 3 515.448 5.076 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081229 553788785 /nfs/dbraw/zinc/78/87/85/553788785.db2.gz QBFFQUUAXRCCBJ-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081229 553788786 /nfs/dbraw/zinc/78/87/86/553788786.db2.gz QBFFQUUAXRCCBJ-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024080908 553788808 /nfs/dbraw/zinc/78/88/08/553788808.db2.gz CVOYOGGXAPMWNE-MHZLTWQESA-N 0 3 506.687 6.001 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024080908 553788809 /nfs/dbraw/zinc/78/88/09/553788809.db2.gz CVOYOGGXAPMWNE-MHZLTWQESA-N 0 3 506.687 6.001 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000097951723 553810861 /nfs/dbraw/zinc/81/08/61/553810861.db2.gz OXPVWAUNZUSFAL-PMERELPUSA-N 0 3 540.704 6.402 50 30 KKEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097951731 553810889 /nfs/dbraw/zinc/81/08/89/553810889.db2.gz VOOTVXCEJTWUNX-LJAQVGFWSA-N 0 3 544.648 5.121 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000026841438 553821616 /nfs/dbraw/zinc/82/16/16/553821616.db2.gz WRRKPSFUKFCCLC-MUUNZHRXSA-N 0 3 512.606 5.492 50 30 KKEAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000097962050 553882475 /nfs/dbraw/zinc/88/24/75/553882475.db2.gz URIXABPVXYAGQB-CTXJTIKKSA-N 0 3 573.613 5.472 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000097966856 553911198 /nfs/dbraw/zinc/91/11/98/553911198.db2.gz AJSHHHNNAGKZHE-PMERELPUSA-N 0 3 542.676 5.893 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000097966856 553911201 /nfs/dbraw/zinc/91/12/01/553911201.db2.gz AJSHHHNNAGKZHE-PMERELPUSA-N 0 3 542.676 5.893 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097966999 553912747 /nfs/dbraw/zinc/91/27/47/553912747.db2.gz AUVIIXVRGQVNCQ-MUUNZHRXSA-N 0 3 567.513 6.801 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097966999 553912748 /nfs/dbraw/zinc/91/27/48/553912748.db2.gz AUVIIXVRGQVNCQ-MUUNZHRXSA-N 0 3 567.513 6.801 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097967056 553913494 /nfs/dbraw/zinc/91/34/94/553913494.db2.gz FGKSBUBNSJPCBJ-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097967056 553913497 /nfs/dbraw/zinc/91/34/97/553913497.db2.gz FGKSBUBNSJPCBJ-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1Cl ZINC000097967082 553913939 /nfs/dbraw/zinc/91/39/39/553913939.db2.gz SVTFKZDHZCSPKJ-MHZLTWQESA-N 0 3 553.486 6.411 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000097967148 553914364 /nfs/dbraw/zinc/91/43/64/553914364.db2.gz FMPYXSXIGCXCKC-MHZLTWQESA-N 0 3 553.486 6.411 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967472 553918907 /nfs/dbraw/zinc/91/89/07/553918907.db2.gz NMQJZRQLTASKJQ-HEIROHQZSA-N 0 3 593.680 5.853 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000097969024 553935780 /nfs/dbraw/zinc/93/57/80/553935780.db2.gz UXGOVXUKIIZJHL-NDEPHWFRSA-N 0 3 577.519 6.257 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000097969509 553941836 /nfs/dbraw/zinc/94/18/36/553941836.db2.gz MSUIHJLXHPCUHQ-CHJDUVSTSA-N 0 3 564.723 5.754 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000097969883 553946407 /nfs/dbraw/zinc/94/64/07/553946407.db2.gz LYMOCUONLKHSBT-UVDDSOTQSA-N 0 3 570.686 5.518 50 30 KKEAHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)CC#CCOC(=O)c1ccccc1Br)CC2 ZINC000033357262 553947511 /nfs/dbraw/zinc/94/75/11/553947511.db2.gz AFEBHDYFUCBLCW-VWLOTQADSA-N 0 3 622.512 5.290 50 30 biogenic KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000097970531 553955638 /nfs/dbraw/zinc/95/56/38/553955638.db2.gz AUVFAPRQAWUISR-WJOKGBTCSA-N 0 3 578.750 8.663 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000097970738 553957787 /nfs/dbraw/zinc/95/77/87/553957787.db2.gz WHUXPKYFSGGUGO-PMERELPUSA-N 0 3 558.675 5.598 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097970923 553959457 /nfs/dbraw/zinc/95/94/57/553959457.db2.gz MGXGBAZCRWJPQB-NDEPHWFRSA-N 0 3 567.513 6.801 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097970950 553959941 /nfs/dbraw/zinc/95/99/41/553959941.db2.gz XJYLMCJNTDSATE-MUUNZHRXSA-N 0 3 543.620 5.402 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097974288 553968553 /nfs/dbraw/zinc/96/85/53/553968553.db2.gz HQHQPAYRJJMYQX-DJTPZYMWSA-N 0 3 748.789 6.459 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000098047691 554154538 /nfs/dbraw/zinc/15/45/38/554154538.db2.gz UKCOVRSVGCBAJO-JOCHJYFZSA-N 0 3 535.866 5.421 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000098047691 554154541 /nfs/dbraw/zinc/15/45/41/554154541.db2.gz UKCOVRSVGCBAJO-JOCHJYFZSA-N 0 3 535.866 5.421 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672285 554441965 /nfs/dbraw/zinc/44/19/65/554441965.db2.gz ZHHVXQIUWAJXQW-SSEXGKCCSA-N 0 3 542.676 6.496 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672285 554441968 /nfs/dbraw/zinc/44/19/68/554441968.db2.gz ZHHVXQIUWAJXQW-SSEXGKCCSA-N 0 3 542.676 6.496 50 30 KKEAHN O=C1C(I)=CC(I)=CC1=CN=C1C=CC(=NNc2ccccc2)C=C1 ZINC000100980737 554547487 /nfs/dbraw/zinc/54/74/87/554547487.db2.gz MZFPNDNMBIZJRJ-OBMCKAMCSA-N 0 3 553.141 6.767 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101267053 554699513 /nfs/dbraw/zinc/69/95/13/554699513.db2.gz AKNMBDAHQFZXLP-RETWFDOMSA-N 0 3 548.006 6.108 50 30 KKEAHN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000101273543 554701878 /nfs/dbraw/zinc/70/18/78/554701878.db2.gz WHICVGKEUWUGOU-QAJWAAMASA-N 0 3 547.575 5.447 50 30 KKEAHN CC(C)(C)c1ccc([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000101360377 554742229 /nfs/dbraw/zinc/74/22/29/554742229.db2.gz FUCQKEKXXWNFSI-HKBQPEDESA-N 0 3 569.149 8.382 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102168818 554890614 /nfs/dbraw/zinc/89/06/14/554890614.db2.gz HCOBRIVGAXMNJV-NXLSWJSLSA-N 0 3 519.469 5.710 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175409 554891866 /nfs/dbraw/zinc/89/18/66/554891866.db2.gz MLRSETGDZFJSLE-NXLSWJSLSA-N 0 3 529.475 5.166 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175492 554892318 /nfs/dbraw/zinc/89/23/18/554892318.db2.gz CVBNTNSUQSBGKA-WGGXKBPPSA-N 0 3 528.649 5.805 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102497112 554941047 /nfs/dbraw/zinc/94/10/47/554941047.db2.gz HYMXCTWQPDHVMC-DFXXOVSGSA-N 0 3 538.685 5.201 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102497112 554941048 /nfs/dbraw/zinc/94/10/48/554941048.db2.gz HYMXCTWQPDHVMC-DFXXOVSGSA-N 0 3 538.685 5.201 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102693128 555008914 /nfs/dbraw/zinc/00/89/14/555008914.db2.gz NCAATMMQNWLDHR-MIOXIQPJSA-N 0 3 527.665 5.013 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000102717608 555019355 /nfs/dbraw/zinc/01/93/55/555019355.db2.gz BZQMMIJAZLYMBC-WGGXKBPPSA-N 0 3 528.649 5.948 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102858445 555089055 /nfs/dbraw/zinc/08/90/55/555089055.db2.gz DXJGYFXIUONNTJ-VEZPTTSMSA-N 0 3 558.675 5.355 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859189 555089681 /nfs/dbraw/zinc/08/96/81/555089681.db2.gz XQPGXINKRUBLAM-MNOIWJKESA-N 0 3 550.696 5.351 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102868547 555097932 /nfs/dbraw/zinc/09/79/32/555097932.db2.gz JKDKXOHPUDDMIF-NLDZOOGBSA-N 0 3 567.513 7.784 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102878295 555107621 /nfs/dbraw/zinc/10/76/21/555107621.db2.gz NMSQRINPWNGCEN-TXTDGAROSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102878295 555107623 /nfs/dbraw/zinc/10/76/23/555107623.db2.gz NMSQRINPWNGCEN-TXTDGAROSA-N 0 3 533.068 5.991 50 30 KKEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102891772 555127820 /nfs/dbraw/zinc/12/78/20/555127820.db2.gz HMIWYYSJCAGKNK-CZNAVJSXSA-N 0 3 505.014 5.292 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000102893617 555131398 /nfs/dbraw/zinc/13/13/98/555131398.db2.gz HRJILUSBJGYUSW-ZAOVDLIJSA-N 0 3 584.713 5.751 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925687 555149868 /nfs/dbraw/zinc/14/98/68/555149868.db2.gz SDIMZLRYNBVNSA-TVKWNQJWSA-N 0 3 540.660 5.353 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925687 555149869 /nfs/dbraw/zinc/14/98/69/555149869.db2.gz SDIMZLRYNBVNSA-TVKWNQJWSA-N 0 3 540.660 5.353 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000102996144 555195853 /nfs/dbraw/zinc/19/58/53/555195853.db2.gz WAHSUWCBRVZLHN-FKAPRUDGSA-N 0 3 523.787 6.204 50 30 KKEAHN CCCCCCCCCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000102998530 555197656 /nfs/dbraw/zinc/19/76/56/555197656.db2.gz WBOGDHJRSJLDRN-UHFFFAOYSA-N 0 3 542.690 7.631 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000103105169 555282543 /nfs/dbraw/zinc/28/25/43/555282543.db2.gz WXFRTQLZBGAHCD-RJGXRXQPSA-N 0 3 524.429 5.856 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)c(Cl)c3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)c(Cl)c3)N=C(N)N2)cc1C#N ZINC000150425823 571490041 /nfs/dbraw/zinc/49/00/41/571490041.db2.gz JAPHFTXDOPPGAH-LQJZCPKCSA-N 0 3 878.659 6.923 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3)N=C(N)N2)cc1C#N ZINC000150426974 571491375 /nfs/dbraw/zinc/49/13/75/571491375.db2.gz BVWGGTGCCJYKLU-CZFRINIUSA-N 0 3 809.769 5.616 50 30 KKEAHN O=C(N1CCN2CCC[C@@H]2C1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000229869546 572163340 /nfs/dbraw/zinc/16/33/40/572163340.db2.gz UPARLCATMBKQTO-ZOFUNIGCSA-N 0 3 604.257 5.166 50 30 KKEAHN O=C(Oc1c(Br)cc(Br)cc1C=Nc1ccc(N2CCNCC2)cc1)c1ccccc1I ZINC000252631072 572271469 /nfs/dbraw/zinc/27/14/69/572271469.db2.gz VHNQXHPZVGVUAL-UHFFFAOYSA-N 0 3 669.155 6.196 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000000703217 551530949 /nfs/dbraw/zinc/53/09/49/551530949.db2.gz YGQUCWINLRGZHC-ONOMSOESSA-N 0 3 550.696 5.364 50 30 KKEAHN CC(C)OP(=O)(OC(C)C)[C@@H](C(C)C)N(C)C(=N)NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(C(F)(F)F)C(F)(F)F)O1 ZINC000008445377 553054151 /nfs/dbraw/zinc/05/41/51/553054151.db2.gz IZJWLHBRJGIBGU-ZDUSSCGKSA-N 0 3 661.425 6.605 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000008738469 553130781 /nfs/dbraw/zinc/13/07/81/553130781.db2.gz CFZYCUVHRRIMDV-HHHXNRCGSA-N 0 3 529.593 5.012 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009008114 553198476 /nfs/dbraw/zinc/19/84/76/553198476.db2.gz YHQHXGRGXFYFPV-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000009044829 553203308 /nfs/dbraw/zinc/20/33/08/553203308.db2.gz BCXCDUKHVDLUSZ-DEOSSOPVSA-N 0 3 529.475 5.322 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000009123671 553212276 /nfs/dbraw/zinc/21/22/76/553212276.db2.gz BCXCDUKHVDLUSZ-XMMPIXPASA-N 0 3 529.475 5.322 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009177023 553216389 /nfs/dbraw/zinc/21/63/89/553216389.db2.gz DAEWUFPAPPTWTM-VWLOTQADSA-N 0 3 533.496 6.401 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009177023 553216391 /nfs/dbraw/zinc/21/63/91/553216391.db2.gz DAEWUFPAPPTWTM-VWLOTQADSA-N 0 3 533.496 6.401 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000009270985 553230583 /nfs/dbraw/zinc/23/05/83/553230583.db2.gz YDZXAQGOQLULMY-DEOSSOPVSA-N 0 3 529.475 5.322 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009312478 553240376 /nfs/dbraw/zinc/24/03/76/553240376.db2.gz XHYDSTCFOPPTQR-XKHRQMKWSA-N 0 3 520.670 5.198 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009373692 553250530 /nfs/dbraw/zinc/25/05/30/553250530.db2.gz IJUWLSWJNUGJTR-HHHXNRCGSA-N 0 3 524.658 5.198 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016730916 553576888 /nfs/dbraw/zinc/57/68/88/553576888.db2.gz YOBASLXBHWFRFH-HHHXNRCGSA-N 0 3 524.658 5.193 50 30 KKEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016734036 553578281 /nfs/dbraw/zinc/57/82/81/553578281.db2.gz MHCXUWHWPGYULV-WTYVLRPYSA-N 0 3 512.606 5.332 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734088 553578317 /nfs/dbraw/zinc/57/83/17/553578317.db2.gz WIMRTDFJDIUKND-RBTNQOKQSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734088 553578320 /nfs/dbraw/zinc/57/83/20/553578320.db2.gz WIMRTDFJDIUKND-RBTNQOKQSA-N 0 3 520.670 5.499 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020219844 553615830 /nfs/dbraw/zinc/61/58/30/553615830.db2.gz PMMBKPPLCGQTCX-RUZDIDTESA-N 0 3 504.627 5.659 50 30 KKEAHN CN1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)c(-c3cccs3)c2C1 ZINC000019852696 553624102 /nfs/dbraw/zinc/62/41/02/553624102.db2.gz XSVKVQZZHSGQPW-UHFFFAOYSA-N 0 3 505.694 5.212 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020357444 553642260 /nfs/dbraw/zinc/64/22/60/553642260.db2.gz KGRAIYFOPDDGTL-RBTNQOKQSA-N 0 3 520.670 5.355 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000020029354 553664073 /nfs/dbraw/zinc/66/40/73/553664073.db2.gz CLJQLOIEYOWRCG-LJAQVGFWSA-N 0 3 528.649 6.105 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020064843 553675538 /nfs/dbraw/zinc/67/55/38/553675538.db2.gz WTSPYYYZHUSJLG-VWLOTQADSA-N 0 3 533.496 6.257 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020064843 553675542 /nfs/dbraw/zinc/67/55/42/553675542.db2.gz WTSPYYYZHUSJLG-VWLOTQADSA-N 0 3 533.496 6.257 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020065793 553675742 /nfs/dbraw/zinc/67/57/42/553675742.db2.gz YBFFRRCJWNVIEY-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020080171 553678071 /nfs/dbraw/zinc/67/80/71/553678071.db2.gz JIIKPYZBYRTLIR-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020080171 553678073 /nfs/dbraw/zinc/67/80/73/553678073.db2.gz JIIKPYZBYRTLIR-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN C[NH+](C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000094303099 553695306 /nfs/dbraw/zinc/69/53/06/553695306.db2.gz HPLNQCPCUACXLM-PGUFJCEWSA-N 0 3 813.446 8.455 50 30 in-vivo KKEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000095909126 553714667 /nfs/dbraw/zinc/71/46/67/553714667.db2.gz WVECGOSHLCROMP-VXNXHJTFSA-N 0 3 520.010 5.212 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000024080676 553788422 /nfs/dbraw/zinc/78/84/22/553788422.db2.gz DOGWBUSRLPSMBW-GDLZYMKVSA-N 0 3 528.649 6.106 50 30 KKEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081184 553788749 /nfs/dbraw/zinc/78/87/49/553788749.db2.gz SKACISXSJOBTPT-HHHXNRCGSA-N 0 3 506.643 5.269 50 30 KKEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081184 553788750 /nfs/dbraw/zinc/78/87/50/553788750.db2.gz SKACISXSJOBTPT-HHHXNRCGSA-N 0 3 506.643 5.269 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000097951336 553808351 /nfs/dbraw/zinc/80/83/51/553808351.db2.gz MTJQYQFMQGLLCM-PMERELPUSA-N 0 3 548.724 8.654 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097966767 553910391 /nfs/dbraw/zinc/91/03/91/553910391.db2.gz HDDYYJJOXRNFNW-MUUNZHRXSA-N 0 3 543.620 5.402 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097967083 553913967 /nfs/dbraw/zinc/91/39/67/553913967.db2.gz SVTFKZDHZCSPKJ-HHHXNRCGSA-N 0 3 553.486 6.411 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000097967181 553914762 /nfs/dbraw/zinc/91/47/62/553914762.db2.gz IUXOETNYSHBMNB-YTTGMZPUSA-N 0 3 562.666 6.506 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)C4c2ccco2)cc1OC ZINC000097967897 553924884 /nfs/dbraw/zinc/92/48/84/553924884.db2.gz KFJAQLDXMIMFBS-GCZXQCHUSA-N 0 3 598.019 5.719 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)C4c2ccco2)cc1 ZINC000097968148 553928336 /nfs/dbraw/zinc/92/83/36/553928336.db2.gz AKUNBQLBGDDJON-SECJDEBPSA-N 0 3 567.993 5.710 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000097968397 553932012 /nfs/dbraw/zinc/93/20/12/553932012.db2.gz DYDOAZDLAJVSPX-WJOKGBTCSA-N 0 3 586.685 5.356 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097968474 553932796 /nfs/dbraw/zinc/93/27/96/553932796.db2.gz SYLMTKYCZYZGCU-VWLOTQADSA-N 0 3 543.502 5.857 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097968474 553932797 /nfs/dbraw/zinc/93/27/97/553932797.db2.gz SYLMTKYCZYZGCU-VWLOTQADSA-N 0 3 543.502 5.857 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097968998 553935515 /nfs/dbraw/zinc/93/55/15/553935515.db2.gz HWMFZFKWZUAYTD-SSEXGKCCSA-N 0 3 558.675 5.511 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097969059 553936221 /nfs/dbraw/zinc/93/62/21/553936221.db2.gz PDHXOLMCWYYZFT-LJAQVGFWSA-N 0 3 574.674 5.130 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000097970404 553953648 /nfs/dbraw/zinc/95/36/48/553953648.db2.gz MIIJUHFTIFTBKB-JIYROHSKSA-N 0 3 584.713 5.908 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970688 553957597 /nfs/dbraw/zinc/95/75/97/553957597.db2.gz GHPPAQVVACKCTE-WKRVVKTRSA-N 0 3 579.653 5.463 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000097970737 553957783 /nfs/dbraw/zinc/95/77/83/553957783.db2.gz WHUXPKYFSGGUGO-SSEXGKCCSA-N 0 3 558.675 5.598 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097971027 553960544 /nfs/dbraw/zinc/96/05/44/553960544.db2.gz YXUGHIYQJISXMF-MUUNZHRXSA-N 0 3 567.513 6.801 50 30 KKEAHN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097986426 554024074 /nfs/dbraw/zinc/02/40/74/554024074.db2.gz FIBLNXMZMDQSLZ-UHFFFAOYSA-N 0 3 557.698 6.075 50 30 KKEAHN CN(C)[C@H](CNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N)c1ccc(C(C)(C)C)cc1 ZINC000035671315 554062322 /nfs/dbraw/zinc/06/23/22/554062322.db2.gz JLVLDGYFPUHDJU-MUUNZHRXSA-N 0 3 529.084 7.458 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000098047210 554147934 /nfs/dbraw/zinc/14/79/34/554147934.db2.gz RXRQCRURCOIVGN-PMERELPUSA-N 0 3 542.676 5.681 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000098047210 554147937 /nfs/dbraw/zinc/14/79/37/554147937.db2.gz RXRQCRURCOIVGN-PMERELPUSA-N 0 3 542.676 5.681 50 30 KKEAHN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000098050308 554173549 /nfs/dbraw/zinc/17/35/49/554173549.db2.gz GUZOUOZSGFIKKW-UHFFFAOYSA-N 0 3 543.759 8.046 50 30 KKEAHN COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc32)cc(Cl)c1Cl ZINC000098208784 554177167 /nfs/dbraw/zinc/17/71/67/554177167.db2.gz PQVSLWANEOVWPO-UHFFFAOYSA-N 0 3 530.456 5.190 50 30 in-vitro KKEAHN C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](N[C@@H](C)c1ccccc1)C1=CCOC1=O ZINC000059102055 554378508 /nfs/dbraw/zinc/37/85/08/554378508.db2.gz JULIWOLIFLDVRD-OHTUVZBGSA-N 0 3 537.697 5.463 50 30 biogenic KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000100673203 554442202 /nfs/dbraw/zinc/44/22/02/554442202.db2.gz OIFLBNJOGCAXKT-SSEXGKCCSA-N 0 3 558.675 5.598 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000101304205 554713963 /nfs/dbraw/zinc/71/39/63/554713963.db2.gz WRYAGOKYPGUGFF-WGSHOSEUSA-N 0 3 533.548 5.057 50 30 KKEAHN COc1ccc([C@@H]2C/C(=N/CCc3ccc(OC)c(OC)c3)[C@](C)(O)CN2CCc2ccc(OC)c(OC)c2)cc1 ZINC000101392371 554756007 /nfs/dbraw/zinc/75/60/07/554756007.db2.gz ISFHCXVPJVRMQY-CZKXBAMNSA-N 0 3 562.707 5.154 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102170040 554891502 /nfs/dbraw/zinc/89/15/02/554891502.db2.gz BCENWSRQUXAOLB-ZHHPLPSFSA-N 0 3 505.442 5.402 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102494614 554940005 /nfs/dbraw/zinc/94/00/05/554940005.db2.gz OGQCYXFHHYIUDB-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102494696 554940212 /nfs/dbraw/zinc/94/02/12/554940212.db2.gz SNDNYGFXULUPKD-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102494696 554940215 /nfs/dbraw/zinc/94/02/15/554940215.db2.gz SNDNYGFXULUPKD-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102518255 554949009 /nfs/dbraw/zinc/94/90/09/554949009.db2.gz IWTASJNLLDFNIK-TXTDGAROSA-N 0 3 567.513 6.644 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102518255 554949013 /nfs/dbraw/zinc/94/90/13/554949013.db2.gz IWTASJNLLDFNIK-TXTDGAROSA-N 0 3 567.513 6.644 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102526455 554952141 /nfs/dbraw/zinc/95/21/41/554952141.db2.gz DOJTYAULDQRZPV-TXTDGAROSA-N 0 3 538.685 5.345 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102526455 554952143 /nfs/dbraw/zinc/95/21/43/554952143.db2.gz DOJTYAULDQRZPV-TXTDGAROSA-N 0 3 538.685 5.345 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102527310 554952543 /nfs/dbraw/zinc/95/25/43/554952543.db2.gz HVDMRBKJEGQOAC-UUALVTFQSA-N 0 3 553.486 6.254 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102530330 554953563 /nfs/dbraw/zinc/95/35/63/554953563.db2.gz NWMXWKGSCLIUFA-UUALVTFQSA-N 0 3 506.687 5.845 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102536159 554955694 /nfs/dbraw/zinc/95/56/94/554955694.db2.gz FXJGZBCPRHVGCB-SBXHHDGASA-N 0 3 529.475 5.310 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102864784 555094505 /nfs/dbraw/zinc/09/45/05/555094505.db2.gz JSHZJHDSWBXRCE-RWTZSVALSA-N 0 3 590.720 7.130 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102864784 555094508 /nfs/dbraw/zinc/09/45/08/555094508.db2.gz JSHZJHDSWBXRCE-RWTZSVALSA-N 0 3 590.720 7.130 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102876592 555106221 /nfs/dbraw/zinc/10/62/21/555106221.db2.gz QYWRDNGJQHVUHB-QMMFTLRZSA-N 0 3 542.676 6.340 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102877529 555106850 /nfs/dbraw/zinc/10/68/50/555106850.db2.gz JRNIUJCTILMGIO-QMMFTLRZSA-N 0 3 588.701 5.363 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102888906 555122501 /nfs/dbraw/zinc/12/25/01/555122501.db2.gz JOIOPYPBZDMKRD-AHPONGEQSA-N 0 3 562.751 8.806 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102930323 555156779 /nfs/dbraw/zinc/15/67/79/555156779.db2.gz OPGLNEIYZJWFGQ-AHPONGEQSA-N 0 3 554.731 6.635 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102930323 555156781 /nfs/dbraw/zinc/15/67/81/555156781.db2.gz OPGLNEIYZJWFGQ-AHPONGEQSA-N 0 3 554.731 6.635 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102931196 555158679 /nfs/dbraw/zinc/15/86/79/555158679.db2.gz OVXNLSXNLFGAPG-QMMFTLRZSA-N 0 3 540.704 6.245 50 30 KKEAHN O=C(N1CCN2CCC[C@@H]2C1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000103549721 555442755 /nfs/dbraw/zinc/44/27/55/555442755.db2.gz UPARLCATMBKQTO-POZPLHJXSA-N 0 3 604.257 5.166 50 30 KKEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000137571535 571450473 /nfs/dbraw/zinc/45/04/73/571450473.db2.gz WVECGOSHLCROMP-RBZQAINGSA-N 0 3 520.010 5.212 50 30 KKEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000137571535 571450474 /nfs/dbraw/zinc/45/04/74/571450474.db2.gz WVECGOSHLCROMP-RBZQAINGSA-N 0 3 520.010 5.212 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3Cl)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3Cl)N=C(N)N2)cc1C#N ZINC000150426299 571490565 /nfs/dbraw/zinc/49/05/65/571490565.db2.gz GJTJZLDIBJEEGG-CZNDPXEESA-N 0 3 878.659 6.923 50 30 KKEAHN CCOc1ccc([C@@H]2N=C(N)NC(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@H](c6ccc(OCC)cc6)N=C(N)N5)cc4C#N)c(C#N)c3)=N2)cc1 ZINC000150426846 571491208 /nfs/dbraw/zinc/49/12/08/571491208.db2.gz QZIVELCTIVYNQV-FZNHDDJXSA-N 0 3 828.985 5.107 50 30 KKEAHN Brc1ccc(/C=N/CC23C[C@H]4C[C@@H](C2)CC(C/N=C\c2ccc(Br)cc2)(C4)C3)cc1 ZINC000250052364 572258941 /nfs/dbraw/zinc/25/89/41/572258941.db2.gz JNEOYAFNPOAWAH-OVLDJUFPSA-N 0 3 528.332 7.336 50 30 KKEAHN C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000248190170 1071217799 /nfs/dbraw/zinc/21/77/99/1071217799.db2.gz KHTBQXMEHFNCNM-GQIPRRTBSA-N 0 3 512.694 6.726 50 30 KKEAHN COc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc32)c1Cl ZINC000257354925 1071235123 /nfs/dbraw/zinc/23/51/23/1071235123.db2.gz FQJJFZPWUDJHKM-UHFFFAOYSA-N 0 3 530.456 5.190 50 30 KKEAHN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002397722 552110657 /nfs/dbraw/zinc/11/06/57/552110657.db2.gz YNXVIOWMRZEARP-QHCPKHFHSA-N 0 3 531.538 5.326 50 30 KKEAHN CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000008214574 552984454 /nfs/dbraw/zinc/98/44/54/552984454.db2.gz GUTXTARXLVFHDK-UHFFFAOYSA-N 0 3 530.124 8.117 50 30 world KKEAHN CN(C)CCOc1ccccc1/C=N\N1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000008386062 552991555 /nfs/dbraw/zinc/99/15/55/552991555.db2.gz OKSZYIOFSXRHJB-YWHIUUFKSA-N 0 3 521.130 5.681 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000008817204 553152529 /nfs/dbraw/zinc/15/25/29/553152529.db2.gz JCULDSRVKFIILM-MHZLTWQESA-N 0 3 529.593 5.012 50 30 KKEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000008817399 553152608 /nfs/dbraw/zinc/15/26/08/553152608.db2.gz XMMOLXFKQIPVGP-HSZRJFAPSA-N 0 3 513.425 5.018 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(F)cc1 ZINC000009122168 553212048 /nfs/dbraw/zinc/21/20/48/553212048.db2.gz DGUNORLKOJDWLM-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(F)cc1 ZINC000009122168 553212051 /nfs/dbraw/zinc/21/20/51/553212051.db2.gz DGUNORLKOJDWLM-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009123651 553212287 /nfs/dbraw/zinc/21/22/87/553212287.db2.gz APDUUDKCSLSJID-MHZLTWQESA-N 0 3 506.687 5.857 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000009123668 553212367 /nfs/dbraw/zinc/21/23/67/553212367.db2.gz QWMACSNRFOZTCR-RUZDIDTESA-N 0 3 509.603 5.002 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009178015 553216578 /nfs/dbraw/zinc/21/65/78/553216578.db2.gz IMYHBFFPAWDBHJ-HHHXNRCGSA-N 0 3 506.687 6.001 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009178009 553216620 /nfs/dbraw/zinc/21/66/20/553216620.db2.gz IMYHBFFPAWDBHJ-MHZLTWQESA-N 0 3 506.687 6.001 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009271669 553231356 /nfs/dbraw/zinc/23/13/56/553231356.db2.gz OTHIOFGYFKKNRE-HHHXNRCGSA-N 0 3 524.658 5.111 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000009301917 553236213 /nfs/dbraw/zinc/23/62/13/553236213.db2.gz BWKNQUILICCDQP-LJAQVGFWSA-N 0 3 526.677 6.011 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009312479 553240474 /nfs/dbraw/zinc/24/04/74/553240474.db2.gz XHYDSTCFOPPTQR-JEPDFCTISA-N 0 3 520.670 5.198 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000016729146 553575558 /nfs/dbraw/zinc/57/55/58/553575558.db2.gz JYKCOCNPIIVTJD-AREMUKBSSA-N 0 3 504.558 5.157 50 30 KKEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016734040 553578270 /nfs/dbraw/zinc/57/82/70/553578270.db2.gz MHCXUWHWPGYULV-NGOKVRLYSA-N 0 3 512.606 5.332 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020230004 553617076 /nfs/dbraw/zinc/61/70/76/553617076.db2.gz IALRLIFEVOLVPA-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020230004 553617078 /nfs/dbraw/zinc/61/70/78/553617078.db2.gz IALRLIFEVOLVPA-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3cccc4ccccc43)CC2)c1CCC(C)C ZINC000019807933 553617756 /nfs/dbraw/zinc/61/77/56/553617756.db2.gz IMQUKLSZAVITPB-UHFFFAOYSA-N 0 3 501.678 6.732 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020233052 553618754 /nfs/dbraw/zinc/61/87/54/553618754.db2.gz WDNJGOGOTQGZDH-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938462 553637854 /nfs/dbraw/zinc/63/78/54/553637854.db2.gz MYWUOWDPVOUNCK-DCFHFQCYSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938462 553637857 /nfs/dbraw/zinc/63/78/57/553637857.db2.gz MYWUOWDPVOUNCK-DCFHFQCYSA-N 0 3 506.643 5.109 50 30 KKEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020391306 553645126 /nfs/dbraw/zinc/64/51/26/553645126.db2.gz UGBBVOKKASXUFE-AREMUKBSSA-N 0 3 505.014 5.449 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020082468 553681876 /nfs/dbraw/zinc/68/18/76/553681876.db2.gz BHYNVULDPJZXOS-VWLOTQADSA-N 0 3 533.496 6.257 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097951458 553808998 /nfs/dbraw/zinc/80/89/98/553808998.db2.gz ZYLJBWTYYLJGAN-HXUWFJFHSA-N 0 3 536.264 5.132 50 30 KKEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097951466 553809106 /nfs/dbraw/zinc/80/91/06/553809106.db2.gz AMSDJHIXVYHODZ-LJAQVGFWSA-N 0 3 544.648 5.121 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000097951635 553810293 /nfs/dbraw/zinc/81/02/93/553810293.db2.gz JISQAUMSNSVPNM-PMERELPUSA-N 0 3 540.704 6.402 50 30 KKEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097951730 553810848 /nfs/dbraw/zinc/81/08/48/553810848.db2.gz VOOTVXCEJTWUNX-GDLZYMKVSA-N 0 3 544.648 5.121 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000097952267 553814459 /nfs/dbraw/zinc/81/44/59/553814459.db2.gz AXQKZNBRLBSADJ-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097952579 553816986 /nfs/dbraw/zinc/81/69/86/553816986.db2.gz FWKVIIWRDWCVHX-GDLZYMKVSA-N 0 3 544.648 5.121 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000026532744 553819163 /nfs/dbraw/zinc/81/91/63/553819163.db2.gz AJROBCFLHOZOOV-MUUNZHRXSA-N 0 3 532.612 5.252 50 30 KKEAHN C=CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 ZINC000032507769 553868690 /nfs/dbraw/zinc/86/86/90/553868690.db2.gz ALEYUWBUASJBSD-XCZPVHLTSA-N 0 3 522.064 5.136 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Br)c1 ZINC000097967053 553913426 /nfs/dbraw/zinc/91/34/26/553913426.db2.gz KZBZYCNYVIPBJF-HHHXNRCGSA-N 0 3 563.492 5.867 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967469 553918927 /nfs/dbraw/zinc/91/89/27/553918927.db2.gz NMQJZRQLTASKJQ-JPQMRUPTSA-N 0 3 593.680 5.853 50 30 KKEAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000097968274 553930123 /nfs/dbraw/zinc/93/01/23/553930123.db2.gz NZSKJVMGSOCKBE-WLUKRMKQSA-N 0 3 572.412 6.355 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000097968398 553931921 /nfs/dbraw/zinc/93/19/21/553931921.db2.gz DYDOAZDLAJVSPX-HKBQPEDESA-N 0 3 586.685 5.356 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097969017 553935763 /nfs/dbraw/zinc/93/57/63/553935763.db2.gz RXHWHNDZUNTURO-ONOMSOESSA-N 0 3 550.696 5.508 50 30 KKEAHN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864672 554022097 /nfs/dbraw/zinc/02/20/97/554022097.db2.gz VAEZLCHCFUMAGF-IMFPYUTOSA-N 0 3 500.595 6.167 50 30 KKEAHN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CN1CCC(C(N)=O)(N3CCCCC3)CC1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000098042800 554122352 /nfs/dbraw/zinc/12/23/52/554122352.db2.gz VVFDMRBZKKBTRI-WJOKGBTCSA-N 0 3 638.640 5.942 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000098046585 554141037 /nfs/dbraw/zinc/14/10/37/554141037.db2.gz ARFGUICVEDKKHM-GDLZYMKVSA-N 0 3 540.616 5.550 50 30 KKEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126047 554645154 /nfs/dbraw/zinc/64/51/54/554645154.db2.gz KPONMRUJQNUCBT-SDHSZQHLSA-N 0 3 550.036 5.220 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000101125715 554645191 /nfs/dbraw/zinc/64/51/91/554645191.db2.gz WXFRTQLZBGAHCD-DNVJHFABSA-N 0 3 524.429 5.856 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000101310721 554718396 /nfs/dbraw/zinc/71/83/96/554718396.db2.gz QSKKQVVVTIYOEF-LJXVVYAUSA-N 0 3 537.967 5.701 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000102175135 554891744 /nfs/dbraw/zinc/89/17/44/554891744.db2.gz PSVPMYHBOMDWAZ-NXLSWJSLSA-N 0 3 519.469 5.710 50 30 KKEAHN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000102225177 554899567 /nfs/dbraw/zinc/89/95/67/554899567.db2.gz JAXIFZBJYBJWNA-OAQYLSRUSA-N 0 3 576.586 6.714 50 30 KKEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102369017 554915950 /nfs/dbraw/zinc/91/59/50/554915950.db2.gz YZBASRXFNLRIFC-UUALVTFQSA-N 0 3 500.595 5.249 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102511748 554946520 /nfs/dbraw/zinc/94/65/20/554946520.db2.gz ABTFSOFGNZBGBL-VEZPTTSMSA-N 0 3 558.675 5.355 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102527455 554952583 /nfs/dbraw/zinc/95/25/83/554952583.db2.gz WVFCFHYPMBELKA-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102547091 554959633 /nfs/dbraw/zinc/95/96/33/554959633.db2.gz RENVDOXSGFSTRX-VEZPTTSMSA-N 0 3 583.169 9.151 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000102655265 554998043 /nfs/dbraw/zinc/99/80/43/554998043.db2.gz DXCCMDCTRJHYEF-ZHJYXLETSA-N 0 3 550.696 5.207 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)cc1 ZINC000102703164 555013283 /nfs/dbraw/zinc/01/32/83/555013283.db2.gz AXVQULRASRQVEB-WGGXKBPPSA-N 0 3 512.650 5.646 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)cc1 ZINC000102703164 555013285 /nfs/dbraw/zinc/01/32/85/555013285.db2.gz AXVQULRASRQVEB-WGGXKBPPSA-N 0 3 512.650 5.646 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000102720503 555019934 /nfs/dbraw/zinc/01/99/34/555019934.db2.gz JKQNJIPIXUAZQH-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000102720503 555019936 /nfs/dbraw/zinc/01/99/36/555019936.db2.gz JKQNJIPIXUAZQH-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102724475 555021063 /nfs/dbraw/zinc/02/10/63/555021063.db2.gz DVNZLDICCDBMPD-VEZPTTSMSA-N 0 3 526.677 6.071 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(O)c1 ZINC000102734243 555024675 /nfs/dbraw/zinc/02/46/75/555024675.db2.gz AFQHMOOJMZYCEH-TXTDGAROSA-N 0 3 514.622 5.043 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102880098 555108954 /nfs/dbraw/zinc/10/89/54/555108954.db2.gz LMWPWTLBAUAACI-UUALVTFQSA-N 0 3 519.041 5.601 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102882139 555110435 /nfs/dbraw/zinc/11/04/35/555110435.db2.gz WKUIIWODISIDBP-QMMFTLRZSA-N 0 3 588.701 5.363 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102893302 555130564 /nfs/dbraw/zinc/13/05/64/555130564.db2.gz VZYUIMCQTCUOMX-VEZPTTSMSA-N 0 3 593.721 8.406 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102927850 555152686 /nfs/dbraw/zinc/15/26/86/555152686.db2.gz KIJCFVMQMWDDQQ-DFXXOVSGSA-N 0 3 543.620 5.246 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000102928495 555154036 /nfs/dbraw/zinc/15/40/36/555154036.db2.gz SMGOGZJQDZLEST-QPNXRCJGSA-N 0 3 548.724 8.498 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102931110 555158341 /nfs/dbraw/zinc/15/83/41/555158341.db2.gz WCTYNZAERYWKGW-MIOXIQPJSA-N 0 3 512.650 5.510 50 30 KKEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102933324 555160540 /nfs/dbraw/zinc/16/05/40/555160540.db2.gz CGUSSGNRMNYUGO-WMRKGWLDSA-N 0 3 520.670 5.343 50 30 KKEAHN CC(C)N(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435298 555417705 /nfs/dbraw/zinc/41/77/05/555417705.db2.gz YHXNOUXVXYQOQJ-WNCULLNHSA-N 0 3 566.561 7.630 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000136676665 571449680 /nfs/dbraw/zinc/44/96/80/571449680.db2.gz NZAJAIHYBJZJLJ-QSJUQBOOSA-N 0 3 574.762 9.054 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccccc3Cl)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3Cl)N=C(N)N2)cc1C#N ZINC000150426288 571490634 /nfs/dbraw/zinc/49/06/34/571490634.db2.gz AGAUWDLUJMBRTQ-CZNDPXEESA-N 0 3 809.769 5.616 50 30 KKEAHN CCOC(=O)c1c2c(sc1NC(=O)C(C#N)c1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000150476900 571511035 /nfs/dbraw/zinc/51/10/35/571511035.db2.gz FLPDOWVDTMXPFT-GDLZYMKVSA-N 0 3 670.839 6.904 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000169680893 571557187 /nfs/dbraw/zinc/55/71/87/571557187.db2.gz WAHSUWCBRVZLHN-VVFBEHOQSA-N 0 3 523.787 6.204 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000227163580 572151014 /nfs/dbraw/zinc/15/10/14/572151014.db2.gz HNYGVFNSMCPWFM-ZGIBFIJWSA-N 0 3 543.620 6.385 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000227163580 572151020 /nfs/dbraw/zinc/15/10/20/572151020.db2.gz HNYGVFNSMCPWFM-ZGIBFIJWSA-N 0 3 543.620 6.385 50 30 KKEAHN CC(C)N(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248033295 572252868 /nfs/dbraw/zinc/25/28/68/572252868.db2.gz YHXNOUXVXYQOQJ-HOFKKMOUSA-N 0 3 566.561 7.630 50 30 KKEAHN CN(C)CCOc1cccc(C=NN2CCN([C@@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)c1 ZINC000252615399 572268555 /nfs/dbraw/zinc/26/85/55/572268555.db2.gz JRWQSZYMLRVPHY-HHHXNRCGSA-N 0 3 521.130 5.681 50 30 KKEAHN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596113 1071283560 /nfs/dbraw/zinc/28/35/60/1071283560.db2.gz MLENNGHSIKYQRU-HONJXVLYSA-N 0 3 683.198 5.361 50 30 KKEAHN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002397723 552110683 /nfs/dbraw/zinc/11/06/83/552110683.db2.gz YNXVIOWMRZEARP-HSZRJFAPSA-N 0 3 531.538 5.326 50 30 KKEAHN C=CCN(C(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCN(CC)CC)c1ccccc1 ZINC000002961788 552233810 /nfs/dbraw/zinc/23/38/10/552233810.db2.gz DMCSIGZFIGEEOE-UHFFFAOYSA-N 0 3 506.697 5.264 50 30 KKEAHN O=C1N=C(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1Cc1cccc(C(F)(F)F)c1 ZINC000006142428 552543520 /nfs/dbraw/zinc/54/35/20/552543520.db2.gz CSBFAOUFRCUMCL-JDLKFOHLSA-N 0 3 511.447 6.148 50 30 KKEAHN Oc1nc(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc1Cc1cccc(C(F)(F)F)c1 ZINC000006142428 552543523 /nfs/dbraw/zinc/54/35/23/552543523.db2.gz CSBFAOUFRCUMCL-JDLKFOHLSA-N 0 3 511.447 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383607 552987113 /nfs/dbraw/zinc/98/71/13/552987113.db2.gz JNPOEWHETXFYER-UGDMGKLASA-N 0 3 570.686 5.518 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(c3ccccc3)CC2)c1CCN1CCN(c2ccccc2)CC1 ZINC000008426348 553018148 /nfs/dbraw/zinc/01/81/48/553018148.db2.gz BAXVYSOVBQVGAG-UHFFFAOYSA-N 0 3 555.730 5.359 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000008738468 553130726 /nfs/dbraw/zinc/13/07/26/553130726.db2.gz CFZYCUVHRRIMDV-MHZLTWQESA-N 0 3 529.593 5.012 50 30 KKEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000008738098 553130826 /nfs/dbraw/zinc/13/08/26/553130826.db2.gz AZVWCUBXCFLDEC-MUUNZHRXSA-N 0 3 514.622 5.113 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000008919396 553188762 /nfs/dbraw/zinc/18/87/62/553188762.db2.gz WWVYXVRCLFBQRL-MHZLTWQESA-N 0 3 502.586 5.243 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009123670 553212283 /nfs/dbraw/zinc/21/22/83/553212283.db2.gz DZEJHMKMVQBTDK-XMMPIXPASA-N 0 3 519.469 6.011 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009240893 553226243 /nfs/dbraw/zinc/22/62/43/553226243.db2.gz MVKJIAFWNISSOO-NPJIAGGLSA-N 0 3 533.496 6.100 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009240893 553226244 /nfs/dbraw/zinc/22/62/44/553226244.db2.gz MVKJIAFWNISSOO-NPJIAGGLSA-N 0 3 533.496 6.100 50 30 KKEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009244163 553227016 /nfs/dbraw/zinc/22/70/16/553227016.db2.gz ICBAARIKSIAFQI-MHZLTWQESA-N 0 3 500.595 5.406 50 30 KKEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009244164 553227135 /nfs/dbraw/zinc/22/71/35/553227135.db2.gz ICBAARIKSIAFQI-HHHXNRCGSA-N 0 3 500.595 5.406 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000009266112 553229873 /nfs/dbraw/zinc/22/98/73/553229873.db2.gz PUZXRQRUDJOUFK-GFTMIHTRSA-N 0 3 503.522 5.048 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000009312299 553240316 /nfs/dbraw/zinc/24/03/16/553240316.db2.gz CQZQRICXUAOGMF-DFXXOVSGSA-N 0 3 514.622 5.043 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000009312299 553240319 /nfs/dbraw/zinc/24/03/19/553240319.db2.gz CQZQRICXUAOGMF-DFXXOVSGSA-N 0 3 514.622 5.043 50 30 KKEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009312953 553240714 /nfs/dbraw/zinc/24/07/14/553240714.db2.gz PAVMNULEVWRBCP-KCWXNJEJSA-N 0 3 526.633 5.119 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016730913 553576948 /nfs/dbraw/zinc/57/69/48/553576948.db2.gz YOBASLXBHWFRFH-MHZLTWQESA-N 0 3 524.658 5.193 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000020193072 553606244 /nfs/dbraw/zinc/60/62/44/553606244.db2.gz JLVHLDZROHDKPM-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000020193072 553606247 /nfs/dbraw/zinc/60/62/47/553606247.db2.gz JLVHLDZROHDKPM-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000070687394 553606684 /nfs/dbraw/zinc/60/66/84/553606684.db2.gz YFSJFJGUSDZTSP-IUTHBXNNSA-N 0 3 535.128 5.574 50 30 biogenic KKEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000070687390 553606729 /nfs/dbraw/zinc/60/67/29/553606729.db2.gz YFSJFJGUSDZTSP-ZDEOWBEWSA-N 0 3 535.128 5.574 50 30 biogenic KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020231754 553617667 /nfs/dbraw/zinc/61/76/67/553617667.db2.gz PSOCYRXNZMDQQM-HSZRJFAPSA-N 0 3 515.448 5.156 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020231751 553617740 /nfs/dbraw/zinc/61/77/40/553617740.db2.gz PSOCYRXNZMDQQM-QHCPKHFHSA-N 0 3 515.448 5.156 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020232821 553618577 /nfs/dbraw/zinc/61/85/77/553618577.db2.gz JFGPXLGWIJFBKS-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020232821 553618581 /nfs/dbraw/zinc/61/85/81/553618581.db2.gz JFGPXLGWIJFBKS-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020263401 553629420 /nfs/dbraw/zinc/62/94/20/553629420.db2.gz KIMNRGKJQMGGCI-QHCPKHFHSA-N 0 3 515.448 5.158 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020290273 553634938 /nfs/dbraw/zinc/63/49/38/553634938.db2.gz XNBYBBZLBZLBOC-WTYVLRPYSA-N 0 3 536.669 5.118 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1C ZINC000019938383 553637709 /nfs/dbraw/zinc/63/77/09/553637709.db2.gz IZFJOIFYFYTPMJ-GDLZYMKVSA-N 0 3 526.633 5.279 50 30 KKEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020357928 553642534 /nfs/dbraw/zinc/64/25/34/553642534.db2.gz IKYQLONPKGFANT-DCFHFQCYSA-N 0 3 506.643 5.109 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccs1 ZINC000020101149 553686779 /nfs/dbraw/zinc/68/67/79/553686779.db2.gz YXRJCSYGRQZYFT-SANMLTNESA-N 0 3 504.652 5.556 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000020100742 553686847 /nfs/dbraw/zinc/68/68/47/553686847.db2.gz ASKCRNXQCRFQOH-LJAQVGFWSA-N 0 3 512.650 5.803 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000020100742 553686849 /nfs/dbraw/zinc/68/68/49/553686849.db2.gz ASKCRNXQCRFQOH-LJAQVGFWSA-N 0 3 512.650 5.803 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cc1ccccc1Cl ZINC000096021537 553717423 /nfs/dbraw/zinc/71/74/23/553717423.db2.gz SYVZTCSKZMLCCV-UHFFFAOYSA-N 0 3 582.151 7.823 50 30 KKEAHN N#Cc1cccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000096292494 553746502 /nfs/dbraw/zinc/74/65/02/553746502.db2.gz DIRSWRVKCMHOQR-HHHXNRCGSA-N 0 3 529.059 6.088 50 30 KKEAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)C(F)(F)C(F)F ZINC000023432878 553775992 /nfs/dbraw/zinc/77/59/92/553775992.db2.gz FTZOSXWQMVXULS-UHFFFAOYSA-N 0 3 516.461 5.390 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081421 553789098 /nfs/dbraw/zinc/78/90/98/553789098.db2.gz BYCZJOZITKBBHL-XMMPIXPASA-N 0 3 527.459 5.242 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081421 553789101 /nfs/dbraw/zinc/78/91/01/553789101.db2.gz BYCZJOZITKBBHL-XMMPIXPASA-N 0 3 527.459 5.242 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097953019 553818919 /nfs/dbraw/zinc/81/89/19/553818919.db2.gz YXTICQBOAYROHJ-PMERELPUSA-N 0 3 542.676 6.352 50 30 KKEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097953136 553819466 /nfs/dbraw/zinc/81/94/66/553819466.db2.gz XGABKDZZYUTXIU-GDLZYMKVSA-N 0 3 544.648 5.121 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097966823 553910721 /nfs/dbraw/zinc/91/07/21/553910721.db2.gz PPRAINZCUFFVNY-PBBNMVCDSA-N 0 3 550.696 5.508 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097966820 553910773 /nfs/dbraw/zinc/91/07/73/553910773.db2.gz PPRAINZCUFFVNY-KCWXNJEJSA-N 0 3 550.696 5.508 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000097966855 553911229 /nfs/dbraw/zinc/91/12/29/553911229.db2.gz AJSHHHNNAGKZHE-SSEXGKCCSA-N 0 3 542.676 5.893 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000097966855 553911230 /nfs/dbraw/zinc/91/12/30/553911230.db2.gz AJSHHHNNAGKZHE-SSEXGKCCSA-N 0 3 542.676 5.893 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097966951 553912282 /nfs/dbraw/zinc/91/22/82/553912282.db2.gz ZIEXDHHBHIUBOP-SSEXGKCCSA-N 0 3 558.675 5.511 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000097967140 553914399 /nfs/dbraw/zinc/91/43/99/553914399.db2.gz XLVLIFCDRNNMHA-MHZLTWQESA-N 0 3 563.492 5.867 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967708 553922254 /nfs/dbraw/zinc/92/22/54/553922254.db2.gz NBKQWHQSKVPCSI-SMSORMJASA-N 0 3 573.690 5.699 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)C4c2ccco2)cc1 ZINC000097968149 553928422 /nfs/dbraw/zinc/92/84/22/553928422.db2.gz AKUNBQLBGDDJON-GRDDVLMNSA-N 0 3 567.993 5.710 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097969018 553935873 /nfs/dbraw/zinc/93/58/73/553935873.db2.gz RXHWHNDZUNTURO-PBBNMVCDSA-N 0 3 550.696 5.508 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000097969105 553936652 /nfs/dbraw/zinc/93/66/52/553936652.db2.gz VTRUJDYLMVBSNK-GDLZYMKVSA-N 0 3 544.648 5.121 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097969463 553941004 /nfs/dbraw/zinc/94/10/04/553941004.db2.gz OLRSOERJFFSIBI-PMERELPUSA-N 0 3 588.701 5.520 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097969535 553941935 /nfs/dbraw/zinc/94/19/35/553941935.db2.gz YSHFYHIGSOXAGZ-PMERELPUSA-N 0 3 588.701 5.520 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000097969540 553942202 /nfs/dbraw/zinc/94/22/02/553942202.db2.gz NFOFENVBBACMQG-RUZDIDTESA-N 0 3 543.502 5.712 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000097969568 553942626 /nfs/dbraw/zinc/94/26/26/553942626.db2.gz CSVMEZQQRCCXHE-CRIKIIGQSA-N 0 3 574.762 9.054 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000097969880 553946462 /nfs/dbraw/zinc/94/64/62/553946462.db2.gz LYMOCUONLKHSBT-WKRVVKTRSA-N 0 3 570.686 5.518 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000097970532 553955501 /nfs/dbraw/zinc/95/55/01/553955501.db2.gz AUVFAPRQAWUISR-HKBQPEDESA-N 0 3 578.750 8.663 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097970951 553959961 /nfs/dbraw/zinc/95/99/61/553959961.db2.gz XJYLMCJNTDSATE-NDEPHWFRSA-N 0 3 543.620 5.402 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097971000 553960301 /nfs/dbraw/zinc/96/03/01/553960301.db2.gz QXWYIWSXXXSXJZ-YKGWIAGDSA-N 0 3 564.723 5.898 50 30 KKEAHN C=CCOc1cccc2c1cc(C(=O)NC1CCN(Cc3ccccc3)CC1)n2Cc1c(F)cccc1F ZINC000035927859 554101438 /nfs/dbraw/zinc/10/14/38/554101438.db2.gz OTYDMCNLHZXMGF-UHFFFAOYSA-N 0 3 515.604 5.927 50 30 KKEAHN Cc1ccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1 ZINC000098047850 554157080 /nfs/dbraw/zinc/15/70/80/554157080.db2.gz DGNQGIJPHPDWCJ-YTTGMZPUSA-N 0 3 562.666 6.506 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Br)cc1 ZINC000053319105 554335991 /nfs/dbraw/zinc/33/59/91/554335991.db2.gz KRCRHMSBJBMQRV-QFIPXVFZSA-N 0 3 527.415 5.124 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Br)cc1 ZINC000053319105 554335995 /nfs/dbraw/zinc/33/59/95/554335995.db2.gz KRCRHMSBJBMQRV-QFIPXVFZSA-N 0 3 527.415 5.124 50 30 KKEAHN CCOC(=O)C(C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[N+](=O)[O-] ZINC000100660855 554438611 /nfs/dbraw/zinc/43/86/11/554438611.db2.gz CZJGKIFOVQVZDU-AREMUKBSSA-N 0 3 555.756 7.628 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000100673205 554442166 /nfs/dbraw/zinc/44/21/66/554442166.db2.gz OIFLBNJOGCAXKT-PMERELPUSA-N 0 3 558.675 5.598 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100737001 554461336 /nfs/dbraw/zinc/46/13/36/554461336.db2.gz ZQAAXDLLOHXGDX-PMERELPUSA-N 0 3 540.660 6.272 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100737001 554461339 /nfs/dbraw/zinc/46/13/39/554461339.db2.gz ZQAAXDLLOHXGDX-PMERELPUSA-N 0 3 540.660 6.272 50 30 KKEAHN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000101273545 554701894 /nfs/dbraw/zinc/70/18/94/554701894.db2.gz WHICVGKEUWUGOU-VUVCMLNUSA-N 0 3 547.575 5.447 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102169723 554891276 /nfs/dbraw/zinc/89/12/76/554891276.db2.gz WFWHPHATXCOFMM-AYWGPLOBSA-N 0 3 505.442 5.402 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175417 554891855 /nfs/dbraw/zinc/89/18/55/554891855.db2.gz MLRSETGDZFJSLE-SBXHHDGASA-N 0 3 529.475 5.166 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000102175236 554891902 /nfs/dbraw/zinc/89/19/02/554891902.db2.gz CYIYAOCDOFKHNY-UUALVTFQSA-N 0 3 506.687 5.701 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175480 554892206 /nfs/dbraw/zinc/89/22/06/554892206.db2.gz SRDOJJOERRCHGH-VEZPTTSMSA-N 0 3 542.676 6.196 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102495712 554940617 /nfs/dbraw/zinc/94/06/17/554940617.db2.gz NFIQPPWQBRDXMC-YJMWBXFMSA-N 0 3 550.696 5.351 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102507011 554944857 /nfs/dbraw/zinc/94/48/57/554944857.db2.gz AJRIINFKTVJCCX-TXTDGAROSA-N 0 3 514.622 5.559 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102507011 554944859 /nfs/dbraw/zinc/94/48/59/554944859.db2.gz AJRIINFKTVJCCX-TXTDGAROSA-N 0 3 514.622 5.559 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000102533992 554955048 /nfs/dbraw/zinc/95/50/48/554955048.db2.gz OXLXPOADXUAESZ-ONQGDUAMSA-N 0 3 563.492 5.710 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000102538917 554956507 /nfs/dbraw/zinc/95/65/07/554956507.db2.gz JTUARUKFNABEPC-KFLIVHAJSA-N 0 3 562.666 6.350 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102543428 554958146 /nfs/dbraw/zinc/95/81/46/554958146.db2.gz YPCDBFQIZQSHBU-UUALVTFQSA-N 0 3 506.687 5.845 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccs1 ZINC000102711766 555016782 /nfs/dbraw/zinc/01/67/82/555016782.db2.gz DDJCNNLGWLYEDB-CJJGVWJISA-N 0 3 504.652 5.399 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102724469 555021084 /nfs/dbraw/zinc/02/10/84/555021084.db2.gz DVNZLDICCDBMPD-QMMFTLRZSA-N 0 3 526.677 6.071 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102733640 555024394 /nfs/dbraw/zinc/02/43/94/555024394.db2.gz PKJRHRMBHCDJDU-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CCN4C[C@H]3CC(C)C)[C@@H](CC(C)C)CN1CC2 ZINC000102781125 555065977 /nfs/dbraw/zinc/06/59/77/555065977.db2.gz ROCDXPADLYVOGR-OPCCUNADSA-N 0 3 630.874 7.149 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000102879291 555108493 /nfs/dbraw/zinc/10/84/93/555108493.db2.gz IPGDKDCXHZIEOB-FCLPXNLHSA-N 0 3 564.723 5.597 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102880620 555109467 /nfs/dbraw/zinc/10/94/67/555109467.db2.gz HWIVJZAKSPXJMJ-ZORLYMSLSA-N 0 3 572.702 5.745 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102880620 555109469 /nfs/dbraw/zinc/10/94/69/555109469.db2.gz HWIVJZAKSPXJMJ-ZORLYMSLSA-N 0 3 572.702 5.745 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102896816 555136846 /nfs/dbraw/zinc/13/68/46/555136846.db2.gz OZFCZMWGZTVHBU-WGGXKBPPSA-N 0 3 566.695 5.189 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925683 555149961 /nfs/dbraw/zinc/14/99/61/555149961.db2.gz SDIMZLRYNBVNSA-FCLPXNLHSA-N 0 3 540.660 5.353 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925683 555149963 /nfs/dbraw/zinc/14/99/63/555149963.db2.gz SDIMZLRYNBVNSA-FCLPXNLHSA-N 0 3 540.660 5.353 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102931869 555159456 /nfs/dbraw/zinc/15/94/56/555159456.db2.gz RMOKQKJGBQYNBJ-SBXHHDGASA-N 0 3 529.475 5.310 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102933423 555160466 /nfs/dbraw/zinc/16/04/66/555160466.db2.gz UGGQCHUUFZWWNH-MIOXIQPJSA-N 0 3 512.650 5.510 50 30 KKEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102933320 555160547 /nfs/dbraw/zinc/16/05/47/555160547.db2.gz CGUSSGNRMNYUGO-XKHRQMKWSA-N 0 3 520.670 5.343 50 30 KKEAHN CCCCCCCCCCCC(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000102999875 555199796 /nfs/dbraw/zinc/19/97/96/555199796.db2.gz AYVSAFKWORKBFJ-XIFFEERXSA-N 0 3 551.841 7.068 50 30 KKEAHN CCCCCCCCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000103000650 555200529 /nfs/dbraw/zinc/20/05/29/555200529.db2.gz ZVMGVBYVKNGIDN-UHFFFAOYSA-N 0 3 585.874 8.042 50 30 KKEAHN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CN(Cc3ccccc3)Cc3ccccc3)cc2)c1 ZINC000103083474 555262420 /nfs/dbraw/zinc/26/24/20/555262420.db2.gz FUBPOEAKAJPJRZ-ZBQOUOQASA-N 0 3 541.695 6.975 50 30 KKEAHN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150342956 571458789 /nfs/dbraw/zinc/45/87/89/571458789.db2.gz MECWEBCHRKVTNV-QQIWIMIASA-N 0 3 771.852 7.176 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3)N=C(N)N2)cc1C#N ZINC000150426968 571491468 /nfs/dbraw/zinc/49/14/68/571491468.db2.gz BVWGGTGCCJYKLU-LQJZCPKCSA-N 0 3 809.769 5.616 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000227068426 572149127 /nfs/dbraw/zinc/14/91/27/572149127.db2.gz JKDKXOHPUDDMIF-ZGIBFIJWSA-N 0 3 567.513 7.784 50 30 KKEAHN CN(C)c1ccc(C=NC2=C(N3CCN(C4=C(N=Cc5ccc(N(C)C)cc5)C(=O)CC(C)(C)C4)CC3)CC(C)(C)CC2=O)cc1 ZINC000252590835 572266687 /nfs/dbraw/zinc/26/66/87/572266687.db2.gz AVTSXQOYQSYOAN-UHFFFAOYSA-N 0 3 622.858 6.176 50 30 KKEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000252695329 572281894 /nfs/dbraw/zinc/28/18/94/572281894.db2.gz YFSJFJGUSDZTSP-WMXKERROSA-N 0 3 535.128 5.574 50 30 KKEAHN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596118 1071283894 /nfs/dbraw/zinc/28/38/94/1071283894.db2.gz MLENNGHSIKYQRU-IXURGBRSSA-N 0 3 683.198 5.361 50 30 KKEAHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000006094792 552534226 /nfs/dbraw/zinc/53/42/26/552534226.db2.gz AEKWZCPVNPQJTR-SANMLTNESA-N 0 3 520.614 5.459 50 30 KKEAHN CN(C)CCOc1cccc(/C=N\N2CCN([C@@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)c1 ZINC000008386059 552991582 /nfs/dbraw/zinc/99/15/82/552991582.db2.gz JRWQSZYMLRVPHY-KAMITORLSA-N 0 3 521.130 5.681 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000008919400 553188743 /nfs/dbraw/zinc/18/87/43/553188743.db2.gz WWVYXVRCLFBQRL-HHHXNRCGSA-N 0 3 502.586 5.243 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Br)c1 ZINC000008987384 553196564 /nfs/dbraw/zinc/19/65/64/553196564.db2.gz UKLNPICEFYUIKF-XMMPIXPASA-N 0 3 529.475 5.322 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009067537 553206413 /nfs/dbraw/zinc/20/64/13/553206413.db2.gz YHQHXGRGXFYFPV-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccs1 ZINC000009068515 553206604 /nfs/dbraw/zinc/20/66/04/553206604.db2.gz QGHIXJLMQFQVRN-CZNAVJSXSA-N 0 3 504.652 5.399 50 30 KKEAHN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccco1)c1ccccc1 ZINC000009187292 553217860 /nfs/dbraw/zinc/21/78/60/553217860.db2.gz CURKAMLTOJTWKL-FFUKGRFASA-N 0 3 517.549 5.438 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000009271278 553230704 /nfs/dbraw/zinc/23/07/04/553230704.db2.gz FSYUJGKKTNCOQO-XMMPIXPASA-N 0 3 519.469 5.867 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009301979 553236196 /nfs/dbraw/zinc/23/61/96/553236196.db2.gz MRZZGKUJIWVJJF-HHHXNRCGSA-N 0 3 524.658 5.111 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000009339485 553243445 /nfs/dbraw/zinc/24/34/45/553243445.db2.gz BWKNQUILICCDQP-GDLZYMKVSA-N 0 3 526.677 6.011 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009437199 553264808 /nfs/dbraw/zinc/26/48/08/553264808.db2.gz BOADGFWGUNIZNX-ONQGDUAMSA-N 0 3 502.586 5.168 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009437199 553264809 /nfs/dbraw/zinc/26/48/09/553264809.db2.gz BOADGFWGUNIZNX-ONQGDUAMSA-N 0 3 502.586 5.168 50 30 KKEAHN N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 ZINC000015861783 553537840 /nfs/dbraw/zinc/53/78/40/553537840.db2.gz BYVKAZHPMTXSQB-YMIGHSEASA-N 0 3 500.756 6.878 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000016734098 553578249 /nfs/dbraw/zinc/57/82/49/553578249.db2.gz GLEHLYVGHAVGQI-MMTVBGGISA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741556 553579770 /nfs/dbraw/zinc/57/97/70/553579770.db2.gz TXQLQLYXLZHTHP-MUUNZHRXSA-N 0 3 528.605 5.170 50 30 KKEAHN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020149637 553594637 /nfs/dbraw/zinc/59/46/37/553594637.db2.gz QVZHEOBJYCUSCB-UHFFFAOYSA-N 0 3 513.689 6.922 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020219843 553615832 /nfs/dbraw/zinc/61/58/32/553615832.db2.gz PMMBKPPLCGQTCX-VWLOTQADSA-N 0 3 504.627 5.659 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020233057 553618841 /nfs/dbraw/zinc/61/88/41/553618841.db2.gz WDNJGOGOTQGZDH-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020357445 553642275 /nfs/dbraw/zinc/64/22/75/553642275.db2.gz KGRAIYFOPDDGTL-PIKZIKFNSA-N 0 3 520.670 5.355 50 30 KKEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020357935 553642687 /nfs/dbraw/zinc/64/26/87/553642687.db2.gz IKYQLONPKGFANT-NFQMXDRXSA-N 0 3 506.643 5.109 50 30 KKEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020391302 553645091 /nfs/dbraw/zinc/64/50/91/553645091.db2.gz UGBBVOKKASXUFE-SANMLTNESA-N 0 3 505.014 5.449 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020518395 553668658 /nfs/dbraw/zinc/66/86/58/553668658.db2.gz YNNHJFSZFGATNL-PIIWDFAUSA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000020081313 553680294 /nfs/dbraw/zinc/68/02/94/553680294.db2.gz ZPYXQXVUVNTNMW-MUUNZHRXSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000020081313 553680296 /nfs/dbraw/zinc/68/02/96/553680296.db2.gz ZPYXQXVUVNTNMW-MUUNZHRXSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020101185 553687113 /nfs/dbraw/zinc/68/71/13/553687113.db2.gz HNXMXTSQQVVODE-MUUNZHRXSA-N 0 3 520.714 6.247 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020101185 553687117 /nfs/dbraw/zinc/68/71/17/553687117.db2.gz HNXMXTSQQVVODE-MUUNZHRXSA-N 0 3 520.714 6.247 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081226 553788768 /nfs/dbraw/zinc/78/87/68/553788768.db2.gz QBFFQUUAXRCCBJ-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081226 553788769 /nfs/dbraw/zinc/78/87/69/553788769.db2.gz QBFFQUUAXRCCBJ-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097951459 553809076 /nfs/dbraw/zinc/80/90/76/553809076.db2.gz ZYLJBWTYYLJGAN-FQEVSTJZSA-N 0 3 536.264 5.132 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097966822 553910677 /nfs/dbraw/zinc/91/06/77/553910677.db2.gz PPRAINZCUFFVNY-ONOMSOESSA-N 0 3 550.696 5.508 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097966821 553910823 /nfs/dbraw/zinc/91/08/23/553910823.db2.gz PPRAINZCUFFVNY-LGGPFLRQSA-N 0 3 550.696 5.508 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966870 553911088 /nfs/dbraw/zinc/91/10/88/553911088.db2.gz ATFYGAYHRBZQQA-MUUNZHRXSA-N 0 3 543.620 5.402 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097966884 553911563 /nfs/dbraw/zinc/91/15/63/553911563.db2.gz IHDSABODTUKACD-WJOKGBTCSA-N 0 3 572.702 5.901 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097966884 553911567 /nfs/dbraw/zinc/91/15/67/553911567.db2.gz IHDSABODTUKACD-WJOKGBTCSA-N 0 3 572.702 5.901 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000097966916 553911964 /nfs/dbraw/zinc/91/19/64/553911964.db2.gz KBLOTZLXUJBOEP-NDEPHWFRSA-N 0 3 577.519 6.257 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000097967149 553914528 /nfs/dbraw/zinc/91/45/28/553914528.db2.gz FMPYXSXIGCXCKC-HHHXNRCGSA-N 0 3 553.486 6.411 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000097967761 553922683 /nfs/dbraw/zinc/92/26/83/553922683.db2.gz GHIHHQINBWGUKF-LGGPFLRQSA-N 0 3 550.696 5.364 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1C ZINC000097969028 553935904 /nfs/dbraw/zinc/93/59/04/553935904.db2.gz XMMLLUUBWCFKML-VWLOTQADSA-N 0 3 543.502 5.857 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1C ZINC000097969028 553935906 /nfs/dbraw/zinc/93/59/06/553935906.db2.gz XMMLLUUBWCFKML-VWLOTQADSA-N 0 3 543.502 5.857 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097969060 553936230 /nfs/dbraw/zinc/93/62/30/553936230.db2.gz PDHXOLMCWYYZFT-GDLZYMKVSA-N 0 3 574.674 5.130 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969049 553936261 /nfs/dbraw/zinc/93/62/61/553936261.db2.gz CMTSRNOJPBJOCC-MUUNZHRXSA-N 0 3 543.620 5.402 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000097969106 553936564 /nfs/dbraw/zinc/93/65/64/553936564.db2.gz VTRUJDYLMVBSNK-LJAQVGFWSA-N 0 3 544.648 5.121 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097969447 553941193 /nfs/dbraw/zinc/94/11/93/553941193.db2.gz PIJFHDBTAVUWHL-HHHXNRCGSA-N 0 3 554.684 5.120 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000097969881 553946307 /nfs/dbraw/zinc/94/63/07/553946307.db2.gz LYMOCUONLKHSBT-UGDMGKLASA-N 0 3 570.686 5.518 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097971001 553960331 /nfs/dbraw/zinc/96/03/31/553960331.db2.gz QXWYIWSXXXSXJZ-RCRUUEGKSA-N 0 3 564.723 5.898 50 30 KKEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000097986460 554024372 /nfs/dbraw/zinc/02/43/72/554024372.db2.gz KPONMRUJQNUCBT-GVAUOCQISA-N 0 3 550.036 5.220 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000098047698 554154962 /nfs/dbraw/zinc/15/49/62/554154962.db2.gz WRRRKIDFCRLSLW-LJAQVGFWSA-N 0 3 563.094 6.238 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000098047698 554154964 /nfs/dbraw/zinc/15/49/64/554154964.db2.gz WRRRKIDFCRLSLW-LJAQVGFWSA-N 0 3 563.094 6.238 50 30 KKEAHN Cc1ccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1 ZINC000098047849 554157045 /nfs/dbraw/zinc/15/70/45/554157045.db2.gz DGNQGIJPHPDWCJ-JGCGQSQUSA-N 0 3 562.666 6.506 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Br)cc1 ZINC000053319106 554335834 /nfs/dbraw/zinc/33/58/34/554335834.db2.gz KRCRHMSBJBMQRV-JOCHJYFZSA-N 0 3 527.415 5.124 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Br)cc1 ZINC000053319106 554335838 /nfs/dbraw/zinc/33/58/38/554335838.db2.gz KRCRHMSBJBMQRV-JOCHJYFZSA-N 0 3 527.415 5.124 50 30 KKEAHN CC(C)(C)c1cc[n+](C(C(=O)c2ccc(OC(F)F)cc2OC(F)F)C(=S)[N-]Cc2ccc3c(c2)OCO3)cc1 ZINC000053388844 554348374 /nfs/dbraw/zinc/34/83/74/554348374.db2.gz QUYBAOSUAJVSNO-UHFFFAOYSA-O 0 3 579.592 5.932 50 30 KKEAHN CC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C[NH+]3CCCCC3)c2[O-])c([O-])c(C[NH+]2CCCCC2)c1 ZINC000060290870 554505019 /nfs/dbraw/zinc/50/50/19/554505019.db2.gz NTAKWENDVXVFPJ-DNJOOXRZSA-N 0 3 574.854 7.203 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000101125723 554645148 /nfs/dbraw/zinc/64/51/48/554645148.db2.gz WXFRTQLZBGAHCD-XPWALMASSA-N 0 3 524.429 5.856 50 30 KKEAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000102096934 554879710 /nfs/dbraw/zinc/87/97/10/554879710.db2.gz IUNKPUUJZYOVBE-RBJSKKJNSA-N 0 3 580.588 7.877 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102169192 554890877 /nfs/dbraw/zinc/89/08/77/554890877.db2.gz IABJSEVDOSJNIF-QMMFTLRZSA-N 0 3 542.676 6.196 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175185 554891621 /nfs/dbraw/zinc/89/16/21/554891621.db2.gz FVJDTSBCCYHANL-NXLSWJSLSA-N 0 3 529.475 5.166 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102498372 554941575 /nfs/dbraw/zinc/94/15/75/554941575.db2.gz QNBXSOUWAQOUPZ-VEZPTTSMSA-N 0 3 542.676 5.736 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102498372 554941577 /nfs/dbraw/zinc/94/15/77/554941577.db2.gz QNBXSOUWAQOUPZ-VEZPTTSMSA-N 0 3 542.676 5.736 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Br)c1 ZINC000102525119 554951632 /nfs/dbraw/zinc/95/16/32/554951632.db2.gz MJFKREJTFGCNFB-UUALVTFQSA-N 0 3 563.492 5.710 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102527210 554952528 /nfs/dbraw/zinc/95/25/28/554952528.db2.gz MOOBWTUHHYDUEU-UUALVTFQSA-N 0 3 502.586 5.087 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102536149 554955698 /nfs/dbraw/zinc/95/56/98/554955698.db2.gz FXJGZBCPRHVGCB-NXLSWJSLSA-N 0 3 529.475 5.310 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102537705 554956219 /nfs/dbraw/zinc/95/62/19/554956219.db2.gz JJQGPGPLFHDUDI-UUALVTFQSA-N 0 3 553.486 6.254 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000102622009 554987451 /nfs/dbraw/zinc/98/74/51/554987451.db2.gz HQPVGNPEQLIKFA-LJAQVGFWSA-N 0 3 544.648 5.203 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102725457 555021297 /nfs/dbraw/zinc/02/12/97/555021297.db2.gz DJFWCXFWWWDTIN-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102725457 555021299 /nfs/dbraw/zinc/02/12/99/555021299.db2.gz DJFWCXFWWWDTIN-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859198 555089713 /nfs/dbraw/zinc/08/97/13/555089713.db2.gz XQPGXINKRUBLAM-ZHJYXLETSA-N 0 3 550.696 5.351 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102864787 555094466 /nfs/dbraw/zinc/09/44/66/555094466.db2.gz JSHZJHDSWBXRCE-JHRPXHEESA-N 0 3 590.720 7.130 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102864787 555094470 /nfs/dbraw/zinc/09/44/70/555094470.db2.gz JSHZJHDSWBXRCE-JHRPXHEESA-N 0 3 590.720 7.130 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102875447 555105470 /nfs/dbraw/zinc/10/54/70/555105470.db2.gz QIZDWMHXOQUGKY-QMMFTLRZSA-N 0 3 542.676 5.736 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000102879292 555108368 /nfs/dbraw/zinc/10/83/68/555108368.db2.gz IPGDKDCXHZIEOB-TVKWNQJWSA-N 0 3 564.723 5.597 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000102893623 555131438 /nfs/dbraw/zinc/13/14/38/555131438.db2.gz HRJILUSBJGYUSW-VIDUVWHZSA-N 0 3 584.713 5.751 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102931197 555158629 /nfs/dbraw/zinc/15/86/29/555158629.db2.gz OVXNLSXNLFGAPG-VEZPTTSMSA-N 0 3 540.704 6.245 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3Cl)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3Cl)N=C(N)N2)cc1C#N ZINC000150426291 571490548 /nfs/dbraw/zinc/49/05/48/571490548.db2.gz GJTJZLDIBJEEGG-LQJZCPKCSA-N 0 3 878.659 6.923 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680766 571556956 /nfs/dbraw/zinc/55/69/56/571556956.db2.gz KELPGJRNJIWNQE-VVFBEHOQSA-N 0 3 523.787 6.204 50 30 KKEAHN O=C(/C=C\c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12 ZINC000334163546 572154787 /nfs/dbraw/zinc/15/47/87/572154787.db2.gz WMNGEFDRRJWTEA-SDXDJHTJSA-N 0 3 509.053 6.991 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000229968588 572175559 /nfs/dbraw/zinc/17/55/59/572175559.db2.gz ZEKGEUXQBBSNIS-DNVJHFABSA-N 0 3 534.981 5.111 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000245325597 572231928 /nfs/dbraw/zinc/23/19/28/572231928.db2.gz BGSCYCIUWSYCGQ-AYWVHJORSA-N 0 3 509.760 5.896 50 30 KKEAHN CN(C)CCOc1ccccc1C=NN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000252623128 572269849 /nfs/dbraw/zinc/26/98/49/572269849.db2.gz OKSZYIOFSXRHJB-AREMUKBSSA-N 0 3 521.130 5.681 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000000703219 551531045 /nfs/dbraw/zinc/53/10/45/551531045.db2.gz YGQUCWINLRGZHC-KCWXNJEJSA-N 0 3 550.696 5.364 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383610 552987124 /nfs/dbraw/zinc/98/71/24/552987124.db2.gz JNPOEWHETXFYER-JPZYQRIQSA-N 0 3 570.686 5.518 50 30 KKEAHN CN(C)CCOc1ccccc1/C=N\N1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000008386064 552991591 /nfs/dbraw/zinc/99/15/91/552991591.db2.gz OKSZYIOFSXRHJB-WBUIZVSVSA-N 0 3 521.130 5.681 50 30 KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000008431282 553022719 /nfs/dbraw/zinc/02/27/19/553022719.db2.gz KHTBQXMEHFNCNM-BTNCXKIJSA-N 0 3 512.694 6.726 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000009067998 553206654 /nfs/dbraw/zinc/20/66/54/553206654.db2.gz AFKJEEFKSAJYSM-MHZLTWQESA-N 0 3 506.687 5.857 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000009122119 553212109 /nfs/dbraw/zinc/21/21/09/553212109.db2.gz RHEPLZKMZNMZKV-MHZLTWQESA-N 0 3 508.659 5.493 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000009122119 553212111 /nfs/dbraw/zinc/21/21/11/553212111.db2.gz RHEPLZKMZNMZKV-MHZLTWQESA-N 0 3 508.659 5.493 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000009271277 553230800 /nfs/dbraw/zinc/23/08/00/553230800.db2.gz FSYUJGKKTNCOQO-DEOSSOPVSA-N 0 3 519.469 5.867 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731019 553576952 /nfs/dbraw/zinc/57/69/52/553576952.db2.gz TVEHBOBGQAUHIK-SANMLTNESA-N 0 3 512.622 5.323 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000016734101 553578232 /nfs/dbraw/zinc/57/82/32/553578232.db2.gz GLEHLYVGHAVGQI-WTYVLRPYSA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741555 553579702 /nfs/dbraw/zinc/57/97/02/553579702.db2.gz TXQLQLYXLZHTHP-NDEPHWFRSA-N 0 3 528.605 5.170 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016742167 553580155 /nfs/dbraw/zinc/58/01/55/553580155.db2.gz RPMLSVQTDRRVFP-MUUNZHRXSA-N 0 3 510.590 6.145 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020131474 553591683 /nfs/dbraw/zinc/59/16/83/553591683.db2.gz PQOMCGNAQRDPCK-HHHXNRCGSA-N 0 3 524.658 5.054 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020131474 553591685 /nfs/dbraw/zinc/59/16/85/553591685.db2.gz PQOMCGNAQRDPCK-HHHXNRCGSA-N 0 3 524.658 5.054 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000020229655 553616772 /nfs/dbraw/zinc/61/67/72/553616772.db2.gz POUWTWAAQRIHCM-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000020229655 553616774 /nfs/dbraw/zinc/61/67/74/553616774.db2.gz POUWTWAAQRIHCM-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN CN1CCc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c(C#N)c(-c3cccs3)c2C1 ZINC000019852668 553624051 /nfs/dbraw/zinc/62/40/51/553624051.db2.gz BHZFGTAPTFJDMP-UHFFFAOYSA-N 0 3 504.559 5.299 50 30 aggregator KKEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020357933 553642645 /nfs/dbraw/zinc/64/26/45/553642645.db2.gz IKYQLONPKGFANT-HRFSGMKKSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020518391 553668826 /nfs/dbraw/zinc/66/88/26/553668826.db2.gz YNNHJFSZFGATNL-WTYVLRPYSA-N 0 3 536.669 5.118 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020065795 553675696 /nfs/dbraw/zinc/67/56/96/553675696.db2.gz YBFFRRCJWNVIEY-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000020100745 553686803 /nfs/dbraw/zinc/68/68/03/553686803.db2.gz ASKCRNXQCRFQOH-GDLZYMKVSA-N 0 3 512.650 5.803 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000020100745 553686805 /nfs/dbraw/zinc/68/68/05/553686805.db2.gz ASKCRNXQCRFQOH-GDLZYMKVSA-N 0 3 512.650 5.803 50 30 KKEAHN CCOc1cc(/C=N/N2CCN([C@@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)ccc1OCCN(C)C ZINC000097944323 553769124 /nfs/dbraw/zinc/76/91/24/553769124.db2.gz AMRCWBAVGJPADL-IMDKMEDLSA-N 0 3 565.183 6.079 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000097951571 553809959 /nfs/dbraw/zinc/80/99/59/553809959.db2.gz ZHSREQFAHLSAKM-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097951588 553809974 /nfs/dbraw/zinc/80/99/74/553809974.db2.gz CFSOZMPAPLQMLT-SSEXGKCCSA-N 0 3 542.676 6.496 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097951722 553810902 /nfs/dbraw/zinc/81/09/02/553810902.db2.gz OXPVWAUNZUSFAL-SSEXGKCCSA-N 0 3 540.704 6.402 50 30 KKEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097953137 553819552 /nfs/dbraw/zinc/81/95/52/553819552.db2.gz XGABKDZZYUTXIU-LJAQVGFWSA-N 0 3 544.648 5.121 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954038 553821004 /nfs/dbraw/zinc/82/10/04/553821004.db2.gz PSQLVCJZVIULCP-RCRUUEGKSA-N 0 3 540.660 5.509 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954038 553821006 /nfs/dbraw/zinc/82/10/06/553821006.db2.gz PSQLVCJZVIULCP-RCRUUEGKSA-N 0 3 540.660 5.509 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097966933 553911969 /nfs/dbraw/zinc/91/19/69/553911969.db2.gz YTYTUWTXAFFOTO-GDLZYMKVSA-N 0 3 574.674 5.130 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000097967025 553913096 /nfs/dbraw/zinc/91/30/96/553913096.db2.gz HXQYBGIACPNNMD-XIFFEERXSA-N 0 3 576.693 6.896 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000097967055 553913527 /nfs/dbraw/zinc/91/35/27/553913527.db2.gz FGKSBUBNSJPCBJ-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000097967055 553913530 /nfs/dbraw/zinc/91/35/30/553913530.db2.gz FGKSBUBNSJPCBJ-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097967112 553913834 /nfs/dbraw/zinc/91/38/34/553913834.db2.gz CYOZLAVJWUDNRQ-HKBQPEDESA-N 0 3 556.703 6.742 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097967112 553913837 /nfs/dbraw/zinc/91/38/37/553913837.db2.gz CYOZLAVJWUDNRQ-HKBQPEDESA-N 0 3 556.703 6.742 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000097967627 553920996 /nfs/dbraw/zinc/92/09/96/553920996.db2.gz CZWMMBMJSQAATB-LJAQVGFWSA-N 0 3 566.695 5.202 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000097967763 553922819 /nfs/dbraw/zinc/92/28/19/553922819.db2.gz GHIHHQINBWGUKF-PBBNMVCDSA-N 0 3 550.696 5.364 50 30 KKEAHN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2Cl)cc1 ZINC000097967826 553923506 /nfs/dbraw/zinc/92/35/06/553923506.db2.gz QIHQCPTZBWCLEG-PSLDYYLHSA-N 0 3 578.032 6.117 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1OC ZINC000097968059 553927117 /nfs/dbraw/zinc/92/71/17/553927117.db2.gz SAETTWUXJQIOON-WPIKVXLYSA-N 0 3 563.574 5.065 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969050 553936252 /nfs/dbraw/zinc/93/62/52/553936252.db2.gz CMTSRNOJPBJOCC-NDEPHWFRSA-N 0 3 543.620 5.402 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097969505 553941617 /nfs/dbraw/zinc/94/16/17/553941617.db2.gz MSSADAXNOLJCJI-GDLZYMKVSA-N 0 3 574.674 5.130 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000097969510 553941824 /nfs/dbraw/zinc/94/18/24/553941824.db2.gz MSUIHJLXHPCUHQ-YKGWIAGDSA-N 0 3 564.723 5.754 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000097969849 553945889 /nfs/dbraw/zinc/94/58/89/553945889.db2.gz ZNQCJUQMDVAOIW-DFXYEROKSA-N 0 3 556.659 5.128 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000097969847 553945980 /nfs/dbraw/zinc/94/59/80/553945980.db2.gz ZNQCJUQMDVAOIW-JRPXNJEYSA-N 0 3 556.659 5.128 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097970998 553960293 /nfs/dbraw/zinc/96/02/93/553960293.db2.gz QXWYIWSXXXSXJZ-SMSORMJASA-N 0 3 564.723 5.898 50 30 KKEAHN C=CCC[C@@H](O)CN(CCCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842632 554081386 /nfs/dbraw/zinc/08/13/86/554081386.db2.gz INVIRZAIWDXPGK-GDLZYMKVSA-N 0 3 517.758 6.466 50 30 KKEAHN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CN1CCC(C(N)=O)(N3CCCCC3)CC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000098042799 554122390 /nfs/dbraw/zinc/12/23/90/554122390.db2.gz VVFDMRBZKKBTRI-HKBQPEDESA-N 0 3 638.640 5.942 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047111 554146683 /nfs/dbraw/zinc/14/66/83/554146683.db2.gz JPKNXHUPDSHHCG-SSEXGKCCSA-N 0 3 542.676 6.496 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047111 554146686 /nfs/dbraw/zinc/14/66/86/554146686.db2.gz JPKNXHUPDSHHCG-SSEXGKCCSA-N 0 3 542.676 6.496 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000098047209 554147997 /nfs/dbraw/zinc/14/79/97/554147997.db2.gz RXRQCRURCOIVGN-SSEXGKCCSA-N 0 3 542.676 5.681 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000098047209 554147999 /nfs/dbraw/zinc/14/79/99/554147999.db2.gz RXRQCRURCOIVGN-SSEXGKCCSA-N 0 3 542.676 5.681 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000100671795 554441592 /nfs/dbraw/zinc/44/15/92/554441592.db2.gz OUNMBFDRWVKVED-PMERELPUSA-N 0 3 540.660 6.272 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000100671795 554441596 /nfs/dbraw/zinc/44/15/96/554441596.db2.gz OUNMBFDRWVKVED-PMERELPUSA-N 0 3 540.660 6.272 50 30 KKEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000101297459 554712463 /nfs/dbraw/zinc/71/24/63/554712463.db2.gz MJCYBSMFQWUOLZ-MIOXIQPJSA-N 0 3 526.633 5.122 50 30 KKEAHN CCc1ccc([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000101360715 554742213 /nfs/dbraw/zinc/74/22/13/554742213.db2.gz FAVCTVBGNVRGBJ-SSEXGKCCSA-N 0 3 541.095 7.647 50 30 KKEAHN CC(C)(C)c1ccc([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCC2)cc1 ZINC000101360448 554742251 /nfs/dbraw/zinc/74/22/51/554742251.db2.gz XEIORFOULVOWAL-PMERELPUSA-N 0 3 555.122 7.992 50 30 KKEAHN CC(C)c1ccc([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000101360794 554742468 /nfs/dbraw/zinc/74/24/68/554742468.db2.gz MIRARXJTOYOLTK-WJOKGBTCSA-N 0 3 555.122 8.208 50 30 KKEAHN COc1ccc(CC/N=C2/C[C@@H](c3ccccc3)N(CCc3ccc(OC)c(OC)c3)C[C@@]2(C)O)cc1OC ZINC000101392366 554755954 /nfs/dbraw/zinc/75/59/54/554755954.db2.gz TYHNYIKMAKFKGA-KRJFJURLSA-N 0 3 532.681 5.145 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102168892 554890942 /nfs/dbraw/zinc/89/09/42/554890942.db2.gz QCINIONBMLTQJK-UUALVTFQSA-N 0 3 506.687 5.701 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102495723 554940593 /nfs/dbraw/zinc/94/05/93/554940593.db2.gz NFIQPPWQBRDXMC-MNOIWJKESA-N 0 3 550.696 5.351 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000102499628 554942175 /nfs/dbraw/zinc/94/21/75/554942175.db2.gz KGCPWXYAVWYENG-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000102499628 554942176 /nfs/dbraw/zinc/94/21/76/554942176.db2.gz KGCPWXYAVWYENG-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102502441 554943728 /nfs/dbraw/zinc/94/37/28/554943728.db2.gz RVEBPKCFPBDZOP-AHPONGEQSA-N 0 3 572.702 5.745 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102502441 554943731 /nfs/dbraw/zinc/94/37/31/554943731.db2.gz RVEBPKCFPBDZOP-AHPONGEQSA-N 0 3 572.702 5.745 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530235 554953629 /nfs/dbraw/zinc/95/36/29/554953629.db2.gz MUXOSYLJUKLMIM-ZORLYMSLSA-N 0 3 556.703 6.586 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530235 554953633 /nfs/dbraw/zinc/95/36/33/554953633.db2.gz MUXOSYLJUKLMIM-ZORLYMSLSA-N 0 3 556.703 6.586 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102543420 554958055 /nfs/dbraw/zinc/95/80/55/554958055.db2.gz YPCDBFQIZQSHBU-ONQGDUAMSA-N 0 3 506.687 5.845 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102543859 554958429 /nfs/dbraw/zinc/95/84/29/554958429.db2.gz UDWBAGJJVUCZLA-VEZPTTSMSA-N 0 3 558.675 5.442 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102543859 554958431 /nfs/dbraw/zinc/95/84/31/554958431.db2.gz UDWBAGJJVUCZLA-VEZPTTSMSA-N 0 3 558.675 5.442 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102561169 554967860 /nfs/dbraw/zinc/96/78/60/554967860.db2.gz RWAICWREIPEQFD-FCLPXNLHSA-N 0 3 573.690 5.542 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000102562608 554968681 /nfs/dbraw/zinc/96/86/81/554968681.db2.gz DXCCMDCTRJHYEF-MNOIWJKESA-N 0 3 550.696 5.207 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000102624762 554987996 /nfs/dbraw/zinc/98/79/96/554987996.db2.gz IDQQOLOULDLLQP-ZORLYMSLSA-N 0 3 586.685 5.199 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000102655262 554998053 /nfs/dbraw/zinc/99/80/53/554998053.db2.gz DXCCMDCTRJHYEF-VTVSLZSGSA-N 0 3 550.696 5.207 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102693134 555009159 /nfs/dbraw/zinc/00/91/59/555009159.db2.gz NCAATMMQNWLDHR-WGGXKBPPSA-N 0 3 527.665 5.013 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccs1 ZINC000102711768 555016839 /nfs/dbraw/zinc/01/68/39/555016839.db2.gz DDJCNNLGWLYEDB-CZNAVJSXSA-N 0 3 504.652 5.399 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccccc3F)cc2)c1 ZINC000102721704 555020500 /nfs/dbraw/zinc/02/05/00/555020500.db2.gz OSYBVVMLYBFPEP-ONQGDUAMSA-N 0 3 502.586 5.087 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102722721 555020733 /nfs/dbraw/zinc/02/07/33/555020733.db2.gz FPNVPYRNFMOTNS-VEZPTTSMSA-N 0 3 526.677 5.900 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102722721 555020734 /nfs/dbraw/zinc/02/07/34/555020734.db2.gz FPNVPYRNFMOTNS-VEZPTTSMSA-N 0 3 526.677 5.900 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)o1 ZINC000102730713 555023477 /nfs/dbraw/zinc/02/34/77/555023477.db2.gz BQRZOHHKVKBODL-ONQGDUAMSA-N 0 3 502.611 5.239 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859193 555089815 /nfs/dbraw/zinc/08/98/15/555089815.db2.gz XQPGXINKRUBLAM-VTVSLZSGSA-N 0 3 550.696 5.351 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102875442 555105554 /nfs/dbraw/zinc/10/55/54/555105554.db2.gz QIZDWMHXOQUGKY-VEZPTTSMSA-N 0 3 542.676 5.736 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000102879289 555108524 /nfs/dbraw/zinc/10/85/24/555108524.db2.gz IPGDKDCXHZIEOB-QOISPNJLSA-N 0 3 564.723 5.597 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000102880095 555108921 /nfs/dbraw/zinc/10/89/21/555108921.db2.gz LMWPWTLBAUAACI-ONQGDUAMSA-N 0 3 519.041 5.601 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896554 555136622 /nfs/dbraw/zinc/13/66/22/555136622.db2.gz NFRFIHANKJLNQM-GYBOJBDRSA-N 0 3 579.653 5.306 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925689 555149967 /nfs/dbraw/zinc/14/99/67/555149967.db2.gz SDIMZLRYNBVNSA-YELMDPSYSA-N 0 3 540.660 5.353 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925689 555149970 /nfs/dbraw/zinc/14/99/70/555149970.db2.gz SDIMZLRYNBVNSA-YELMDPSYSA-N 0 3 540.660 5.353 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102931107 555158278 /nfs/dbraw/zinc/15/82/78/555158278.db2.gz WCTYNZAERYWKGW-WGGXKBPPSA-N 0 3 512.650 5.510 50 30 KKEAHN CCCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C ZINC000102995729 555195203 /nfs/dbraw/zinc/19/52/03/555195203.db2.gz TUPAJMHCFDBFKY-UHFFFAOYSA-N 0 3 585.855 6.320 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000102996060 555195490 /nfs/dbraw/zinc/19/54/90/555195490.db2.gz KBIGMKAAQCFSKS-SSEXGKCCSA-N 0 3 509.760 5.816 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@H]1C ZINC000102996146 555195720 /nfs/dbraw/zinc/19/57/20/555195720.db2.gz WAHSUWCBRVZLHN-NJHZRGNWSA-N 0 3 523.787 6.204 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000102996154 555195793 /nfs/dbraw/zinc/19/57/93/555195793.db2.gz BGSCYCIUWSYCGQ-NGQVCNFZSA-N 0 3 509.760 5.896 50 30 KKEAHN CCCCCCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000102999645 555199467 /nfs/dbraw/zinc/19/94/67/555199467.db2.gz BUPMZYSZLDNJFT-UHFFFAOYSA-N 0 3 571.847 7.570 50 30 KKEAHN C=CCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000101307814 571361293 /nfs/dbraw/zinc/36/12/93/571361293.db2.gz VKCOTEQNVXYKJP-ZULBXXEESA-N 0 3 532.640 5.965 50 30 KKEAHN COc1ccc([C@H]2C/C(=N/CCc3ccc(OC)c(OC)c3)[C@@](C)(O)CN2CCc2ccc(OC)c(OC)c2)cc1 ZINC000111092218 571432032 /nfs/dbraw/zinc/43/20/32/571432032.db2.gz ISFHCXVPJVRMQY-AQOMXRNBSA-N 0 3 562.707 5.154 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3Cl)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3Cl)N=C(N)N2)cc1C#N ZINC000150426296 571490528 /nfs/dbraw/zinc/49/05/28/571490528.db2.gz GJTJZLDIBJEEGG-CZFRINIUSA-N 0 3 878.659 6.923 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@H]1C ZINC000248117465 572254142 /nfs/dbraw/zinc/25/41/42/572254142.db2.gz WAHSUWCBRVZLHN-OOWIMERYSA-N 0 3 523.787 6.204 50 30 KKEAHN CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C ZINC000003916214 552421930 /nfs/dbraw/zinc/42/19/30/552421930.db2.gz JWNPDZNEKVCWMY-VQHVLOKHSA-N 0 3 557.054 5.932 50 30 fda KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008738049 553130639 /nfs/dbraw/zinc/13/06/39/553130639.db2.gz KIBNZFIJWJWQMH-DEOSSOPVSA-N 0 3 519.469 5.867 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000008996842 553197479 /nfs/dbraw/zinc/19/74/79/553197479.db2.gz XZXSQIVDBLDINZ-HHHXNRCGSA-N 0 3 519.041 5.757 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000009008722 553199244 /nfs/dbraw/zinc/19/92/44/553199244.db2.gz JYZQWNDMJHDQTJ-QHCPKHFHSA-N 0 3 515.448 5.075 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009274415 553232466 /nfs/dbraw/zinc/23/24/66/553232466.db2.gz TYQOHJHRBWWCCE-DFXXOVSGSA-N 0 3 520.714 6.091 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009274415 553232467 /nfs/dbraw/zinc/23/24/67/553232467.db2.gz TYQOHJHRBWWCCE-DFXXOVSGSA-N 0 3 520.714 6.091 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000009301888 553236090 /nfs/dbraw/zinc/23/60/90/553236090.db2.gz KMFBRSLGWWAKHS-MHZLTWQESA-N 0 3 519.041 5.757 50 30 KKEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009311939 553239929 /nfs/dbraw/zinc/23/99/29/553239929.db2.gz PAVMNULEVWRBCP-PBBNMVCDSA-N 0 3 526.633 5.119 50 30 KKEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000013552100 553470695 /nfs/dbraw/zinc/47/06/95/553470695.db2.gz IAEOHJOUYNMTMR-NDEPHWFRSA-N 0 3 514.622 5.113 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016733473 553578083 /nfs/dbraw/zinc/57/80/83/553578083.db2.gz RMNUFMWEEXCCFD-QFIPXVFZSA-N 0 3 525.860 5.966 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016733473 553578085 /nfs/dbraw/zinc/57/80/85/553578085.db2.gz RMNUFMWEEXCCFD-QFIPXVFZSA-N 0 3 525.860 5.966 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020130100 553591332 /nfs/dbraw/zinc/59/13/32/553591332.db2.gz HOHLABLIEHGWCF-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1CCC#N ZINC000020150185 553595167 /nfs/dbraw/zinc/59/51/67/553595167.db2.gz JDPDSAFXTNRTCY-UHFFFAOYSA-N 0 3 508.629 6.016 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000020193122 553606262 /nfs/dbraw/zinc/60/62/62/553606262.db2.gz NCVXAIIWDCSYLD-LJAQVGFWSA-N 0 3 512.650 5.803 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000020193122 553606264 /nfs/dbraw/zinc/60/62/64/553606264.db2.gz NCVXAIIWDCSYLD-LJAQVGFWSA-N 0 3 512.650 5.803 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)o1 ZINC000020230855 553617552 /nfs/dbraw/zinc/61/75/52/553617552.db2.gz GBDZZZCLBHWHQN-HHHXNRCGSA-N 0 3 502.611 5.396 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020357442 553642141 /nfs/dbraw/zinc/64/21/41/553642141.db2.gz KGRAIYFOPDDGTL-KMRXNPHXSA-N 0 3 520.670 5.355 50 30 KKEAHN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020392335 553645382 /nfs/dbraw/zinc/64/53/82/553645382.db2.gz MCMBNWKERJVLAA-UHFFFAOYSA-N 0 3 527.716 7.312 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020057941 553671462 /nfs/dbraw/zinc/67/14/62/553671462.db2.gz MHGLXONIBVJMBX-HHHXNRCGSA-N 0 3 508.659 5.349 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020057941 553671463 /nfs/dbraw/zinc/67/14/63/553671463.db2.gz MHGLXONIBVJMBX-HHHXNRCGSA-N 0 3 508.659 5.349 50 30 KKEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 ZINC000020609744 553678426 /nfs/dbraw/zinc/67/84/26/553678426.db2.gz IETVWEAXJASMJR-AIJDTMONSA-N 0 3 519.129 6.361 50 30 biogenic KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000020081495 553680639 /nfs/dbraw/zinc/68/06/39/553680639.db2.gz ITMOAXXAMSCISY-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000020081495 553680642 /nfs/dbraw/zinc/68/06/42/553680642.db2.gz ITMOAXXAMSCISY-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020081460 553680697 /nfs/dbraw/zinc/68/06/97/553680697.db2.gz VFBRRMSRZRNELH-HHHXNRCGSA-N 0 3 524.658 5.054 50 30 KKEAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(-c4ccsc4)c1C#N)CN(C)CC3)CCC2 ZINC000097940203 553763704 /nfs/dbraw/zinc/76/37/04/553763704.db2.gz HHEVXONYNPFMCJ-UHFFFAOYSA-N 0 3 538.720 5.127 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080761 553788324 /nfs/dbraw/zinc/78/83/24/553788324.db2.gz IOEGZGDCTYAIRA-QHCPKHFHSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080761 553788328 /nfs/dbraw/zinc/78/83/28/553788328.db2.gz IOEGZGDCTYAIRA-QHCPKHFHSA-N 0 3 515.448 5.076 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024080673 553788395 /nfs/dbraw/zinc/78/83/95/553788395.db2.gz GHXBTAVFANGKLU-QHCPKHFHSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024080785 553788789 /nfs/dbraw/zinc/78/87/89/553788789.db2.gz GLHGRKFKJLCFEI-NDEPHWFRSA-N 0 3 514.622 5.716 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024080782 553788803 /nfs/dbraw/zinc/78/88/03/553788803.db2.gz GLHGRKFKJLCFEI-MUUNZHRXSA-N 0 3 514.622 5.716 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000024334100 553790504 /nfs/dbraw/zinc/79/05/04/553790504.db2.gz RRJMXPFBWBFDDW-HHHXNRCGSA-N 0 3 500.595 5.326 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000026841432 553821580 /nfs/dbraw/zinc/82/15/80/553821580.db2.gz WRRKPSFUKFCCLC-NDEPHWFRSA-N 0 3 512.606 5.492 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000097966797 553910398 /nfs/dbraw/zinc/91/03/98/553910398.db2.gz CKMXFYUKODHSII-HHHXNRCGSA-N 0 3 553.486 6.411 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000097966915 553911912 /nfs/dbraw/zinc/91/19/12/553911912.db2.gz KBLOTZLXUJBOEP-MUUNZHRXSA-N 0 3 577.519 6.257 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000097966923 553911962 /nfs/dbraw/zinc/91/19/62/553911962.db2.gz MHESWYYNMGQGCU-MHZLTWQESA-N 0 3 563.492 5.867 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097967000 553912763 /nfs/dbraw/zinc/91/27/63/553912763.db2.gz AUVIIXVRGQVNCQ-NDEPHWFRSA-N 0 3 567.513 6.801 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097967000 553912764 /nfs/dbraw/zinc/91/27/64/553912764.db2.gz AUVIIXVRGQVNCQ-NDEPHWFRSA-N 0 3 567.513 6.801 50 30 KKEAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000097968273 553929898 /nfs/dbraw/zinc/92/98/98/553929898.db2.gz NZSKJVMGSOCKBE-LACFKQCHSA-N 0 3 572.412 6.355 50 30 KKEAHN O=C(Cc1nc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2[nH]c1=O)c1ccc(C2CCCCC2)cc1 ZINC000033356151 553939579 /nfs/dbraw/zinc/93/95/79/553939579.db2.gz WDVAREIBCANKNQ-SWKFRHMKSA-N 0 3 540.708 5.956 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000097970403 553953604 /nfs/dbraw/zinc/95/36/04/553953604.db2.gz MIIJUHFTIFTBKB-UDNBHOFDSA-N 0 3 584.713 5.908 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000097970405 553953736 /nfs/dbraw/zinc/95/37/36/553953736.db2.gz MIIJUHFTIFTBKB-HEIROHQZSA-N 0 3 584.713 5.908 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000098047519 554152180 /nfs/dbraw/zinc/15/21/80/554152180.db2.gz OZWVQMMDMSUHEI-QFIPXVFZSA-N 0 3 535.866 5.421 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000098047519 554152183 /nfs/dbraw/zinc/15/21/83/554152183.db2.gz OZWVQMMDMSUHEI-QFIPXVFZSA-N 0 3 535.866 5.421 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000100671793 554441558 /nfs/dbraw/zinc/44/15/58/554441558.db2.gz OUNMBFDRWVKVED-SSEXGKCCSA-N 0 3 540.660 6.272 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000100671793 554441560 /nfs/dbraw/zinc/44/15/60/554441560.db2.gz OUNMBFDRWVKVED-SSEXGKCCSA-N 0 3 540.660 6.272 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672288 554442034 /nfs/dbraw/zinc/44/20/34/554442034.db2.gz ZHHVXQIUWAJXQW-PMERELPUSA-N 0 3 542.676 6.496 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672288 554442035 /nfs/dbraw/zinc/44/20/35/554442035.db2.gz ZHHVXQIUWAJXQW-PMERELPUSA-N 0 3 542.676 6.496 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100996237 554551073 /nfs/dbraw/zinc/55/10/73/554551073.db2.gz HNYGVFNSMCPWFM-NLDZOOGBSA-N 0 3 543.620 6.385 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000101310723 554718465 /nfs/dbraw/zinc/71/84/65/554718465.db2.gz QSKKQVVVTIYOEF-PSVUBMJASA-N 0 3 537.967 5.701 50 30 KKEAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101328831 554729973 /nfs/dbraw/zinc/72/99/73/554729973.db2.gz FFPOVNUQNUBRQW-LJXVVYAUSA-N 0 3 537.967 5.701 50 30 KKEAHN CC(C)(C)c1ccc([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000101360376 554742209 /nfs/dbraw/zinc/74/22/09/554742209.db2.gz FUCQKEKXXWNFSI-WJOKGBTCSA-N 0 3 569.149 8.382 50 30 KKEAHN CC(C)CN(C[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000102096960 554879757 /nfs/dbraw/zinc/87/97/57/554879757.db2.gz RUIYJHFRUHGXNR-RPLLCQBOSA-N 0 3 580.588 7.877 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000102168858 554890609 /nfs/dbraw/zinc/89/06/09/554890609.db2.gz QPYTWUZWLBURIH-SBXHHDGASA-N 0 3 529.475 5.166 50 30 KKEAHN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102369012 554915946 /nfs/dbraw/zinc/91/59/46/554915946.db2.gz YZBASRXFNLRIFC-ONQGDUAMSA-N 0 3 500.595 5.249 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102489194 554938880 /nfs/dbraw/zinc/93/88/80/554938880.db2.gz GKPOCIVHTMBXHD-VEZPTTSMSA-N 0 3 558.675 5.355 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102489194 554938881 /nfs/dbraw/zinc/93/88/81/554938881.db2.gz GKPOCIVHTMBXHD-VEZPTTSMSA-N 0 3 558.675 5.355 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000102490932 554939106 /nfs/dbraw/zinc/93/91/06/554939106.db2.gz MPILBNJUMMJQJD-ONQGDUAMSA-N 0 3 553.486 6.254 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102495131 554940352 /nfs/dbraw/zinc/94/03/52/554940352.db2.gz XWXZAMJUPXYSJM-NPJIAGGLSA-N 0 3 533.496 6.244 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102495131 554940354 /nfs/dbraw/zinc/94/03/54/554940354.db2.gz XWXZAMJUPXYSJM-NPJIAGGLSA-N 0 3 533.496 6.244 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000102499634 554942295 /nfs/dbraw/zinc/94/22/95/554942295.db2.gz KGCPWXYAVWYENG-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000102499634 554942297 /nfs/dbraw/zinc/94/22/97/554942297.db2.gz KGCPWXYAVWYENG-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000102506983 554944993 /nfs/dbraw/zinc/94/49/93/554944993.db2.gz IAUAUWIUARIGDX-UUALVTFQSA-N 0 3 563.492 5.710 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102511808 554946539 /nfs/dbraw/zinc/94/65/39/554946539.db2.gz CPIBWQVHGZSFER-QMMFTLRZSA-N 0 3 558.675 5.355 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1Cl ZINC000102527305 554952566 /nfs/dbraw/zinc/95/25/66/554952566.db2.gz HVDMRBKJEGQOAC-ONQGDUAMSA-N 0 3 553.486 6.254 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102537698 554956254 /nfs/dbraw/zinc/95/62/54/554956254.db2.gz JJQGPGPLFHDUDI-ONQGDUAMSA-N 0 3 553.486 6.254 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102553441 554963208 /nfs/dbraw/zinc/96/32/08/554963208.db2.gz XINQQCBPBZFJNY-ZAOVDLIJSA-N 0 3 593.680 5.696 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102655708 554998348 /nfs/dbraw/zinc/99/83/48/554998348.db2.gz RWAICWREIPEQFD-YELMDPSYSA-N 0 3 573.690 5.542 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102690597 555008180 /nfs/dbraw/zinc/00/81/80/555008180.db2.gz FJTBBTNRKFZTHO-UUALVTFQSA-N 0 3 519.041 5.601 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102703167 555013420 /nfs/dbraw/zinc/01/34/20/555013420.db2.gz AXVQULRASRQVEB-MIOXIQPJSA-N 0 3 512.650 5.646 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102703167 555013421 /nfs/dbraw/zinc/01/34/21/555013421.db2.gz AXVQULRASRQVEB-MIOXIQPJSA-N 0 3 512.650 5.646 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000102860476 555090599 /nfs/dbraw/zinc/09/05/99/555090599.db2.gz SUCLBWVEMPNHOA-UUALVTFQSA-N 0 3 502.586 5.087 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1C ZINC000102861447 555091646 /nfs/dbraw/zinc/09/16/46/555091646.db2.gz RXLCZQNPPOIHKP-IUKMQXEJSA-N 0 3 543.502 5.700 50 30 KKEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000102862277 555092271 /nfs/dbraw/zinc/09/22/71/555092271.db2.gz WVECGOSHLCROMP-WXFUMESZSA-N 0 3 520.010 5.212 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102862604 555092491 /nfs/dbraw/zinc/09/24/91/555092491.db2.gz MQCOVEGLJKDFPT-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102877527 555107011 /nfs/dbraw/zinc/10/70/11/555107011.db2.gz JRNIUJCTILMGIO-VEZPTTSMSA-N 0 3 588.701 5.363 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccs1 ZINC000102878941 555108117 /nfs/dbraw/zinc/10/81/17/555108117.db2.gz YUWNJVDFDNXSJJ-CZNAVJSXSA-N 0 3 504.652 5.399 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000102887550 555119583 /nfs/dbraw/zinc/11/95/83/555119583.db2.gz MUPNEXMLSDCSTK-VDBNUPDGSA-N 0 3 570.686 5.361 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1C ZINC000102931867 555159480 /nfs/dbraw/zinc/15/94/80/555159480.db2.gz RMOKQKJGBQYNBJ-NXLSWJSLSA-N 0 3 529.475 5.310 50 30 KKEAHN CCCCCCCCC(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000102996020 555195405 /nfs/dbraw/zinc/19/54/05/555195405.db2.gz IOYBYRDGTTVLID-PMERELPUSA-N 0 3 509.760 5.897 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000102996162 555195827 /nfs/dbraw/zinc/19/58/27/555195827.db2.gz KELPGJRNJIWNQE-NJHZRGNWSA-N 0 3 523.787 6.204 50 30 KKEAHN CCOC(=O)c1c2cc(Oc3nccc(Nc4ccccc4)c3C#N)ccc2n(-c2ccc(OC)cc2)c1CN(CC)CC ZINC000103609631 555455251 /nfs/dbraw/zinc/45/52/51/555455251.db2.gz JUXCZRVSGCAZOK-UHFFFAOYSA-N 0 3 589.696 7.460 50 30 KKEAHN COc1ccc(CC/N=C2/C[C@H](c3ccccc3)N(CCc3ccc(OC)c(OC)c3)C[C@@]2(C)O)cc1OC ZINC000111092227 571432025 /nfs/dbraw/zinc/43/20/25/571432025.db2.gz TYHNYIKMAKFKGA-IQIGRDRVSA-N 0 3 532.681 5.145 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc([NH+]=CN(C)C)[n-]c4=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150352179 571462364 /nfs/dbraw/zinc/46/23/64/571462364.db2.gz YRQAXTCBMPFGAN-UJASEYITSA-N 0 3 824.920 7.316 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3cccc(Cl)c3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3cccc(Cl)c3)N=C(N)N2)cc1C#N ZINC000150426867 571491167 /nfs/dbraw/zinc/49/11/67/571491167.db2.gz ZTKQTKYHAZBQQF-CZNDPXEESA-N 0 3 809.769 5.616 50 30 KKEAHN CCOC(=O)c1c2cc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)ccc2n(-c2ccc(Br)cc2)c1CN(CC)CC ZINC000159751248 571530514 /nfs/dbraw/zinc/53/05/14/571530514.db2.gz KHUPMQVYCPZPJH-UHFFFAOYSA-N 0 3 652.593 8.523 50 30 KKEAHN O=C(N1CCN2CCC[C@@H]2C1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000229919022 572169657 /nfs/dbraw/zinc/16/96/57/572169657.db2.gz UPARLCATMBKQTO-BCMRRPTOSA-N 0 3 604.257 5.166 50 30 KKEAHN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2c3c(c(OC)c4c2CCN(C)C4)OCO3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596472 1071283588 /nfs/dbraw/zinc/28/35/88/1071283588.db2.gz VLGWVBZUDGGYMY-PXHCOSFKSA-N 0 3 765.212 5.022 50 30 KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000008431284 1071311113 /nfs/dbraw/zinc/31/11/13/1071311113.db2.gz KHTBQXMEHFNCNM-LKQCQMFKSA-N 0 3 512.694 6.726 50 30 KKEAHN CCOC(=O)C(C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[N+](=O)[O-] ZINC000002518897 552126740 /nfs/dbraw/zinc/12/67/40/552126740.db2.gz CZJGKIFOVQVZDU-SANMLTNESA-N 0 3 555.756 7.628 50 30 KKEAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(-c4ccsc4)c1C#N)CN(C)CC3)CCCC2 ZINC000008451118 553060400 /nfs/dbraw/zinc/06/04/00/553060400.db2.gz VTTWKMNUSXIJNH-UHFFFAOYSA-N 0 3 552.747 5.517 50 30 KKEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980304 553196048 /nfs/dbraw/zinc/19/60/48/553196048.db2.gz JNFNZFNHCKBDOA-JOCHJYFZSA-N 0 3 523.559 5.458 50 30 KKEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000008996334 553197221 /nfs/dbraw/zinc/19/72/21/553197221.db2.gz IYNKPAUQZKNDSZ-LJAQVGFWSA-N 0 3 526.633 5.279 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000008996947 553197462 /nfs/dbraw/zinc/19/74/62/553197462.db2.gz MRUNBSZOORKYJQ-LJAQVGFWSA-N 0 3 526.677 6.011 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009123043 553212314 /nfs/dbraw/zinc/21/23/14/553212314.db2.gz LRDAHYZHZUUOFL-MHZLTWQESA-N 0 3 529.593 5.012 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009123652 553212388 /nfs/dbraw/zinc/21/23/88/553212388.db2.gz APDUUDKCSLSJID-HHHXNRCGSA-N 0 3 506.687 5.857 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009312477 553240351 /nfs/dbraw/zinc/24/03/51/553240351.db2.gz XHYDSTCFOPPTQR-WZEFDDPJSA-N 0 3 520.670 5.198 50 30 KKEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000013552103 553470699 /nfs/dbraw/zinc/47/06/99/553470699.db2.gz IAEOHJOUYNMTMR-MUUNZHRXSA-N 0 3 514.622 5.113 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731644 553577323 /nfs/dbraw/zinc/57/73/23/553577323.db2.gz CEENBFPMSDEMHQ-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731644 553577324 /nfs/dbraw/zinc/57/73/24/553577324.db2.gz CEENBFPMSDEMHQ-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020130669 553591384 /nfs/dbraw/zinc/59/13/84/553591384.db2.gz DKWGRDPKKOOTRC-LJAQVGFWSA-N 0 3 512.650 5.666 50 30 KKEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000017863072 553600215 /nfs/dbraw/zinc/60/02/15/553600215.db2.gz WVECGOSHLCROMP-SMIHKQSGSA-N 0 3 520.010 5.212 50 30 KKEAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018045345 553602131 /nfs/dbraw/zinc/60/21/31/553602131.db2.gz GZCWSEBHFBQBQX-FCEKVYKBSA-N 0 3 511.578 5.187 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020228365 553616368 /nfs/dbraw/zinc/61/63/68/553616368.db2.gz ANRMHFRNHJIBQU-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000020229588 553616737 /nfs/dbraw/zinc/61/67/37/553616737.db2.gz ASDMTGJLTMUNNO-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000020229588 553616739 /nfs/dbraw/zinc/61/67/39/553616739.db2.gz ASDMTGJLTMUNNO-NDEPHWFRSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000020229653 553616805 /nfs/dbraw/zinc/61/68/05/553616805.db2.gz POUWTWAAQRIHCM-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000020229653 553616808 /nfs/dbraw/zinc/61/68/08/553616808.db2.gz POUWTWAAQRIHCM-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020232026 553617661 /nfs/dbraw/zinc/61/76/61/553617661.db2.gz NDQSCDDXDKXELG-NDEPHWFRSA-N 0 3 514.622 5.113 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020394537 553645414 /nfs/dbraw/zinc/64/54/14/553645414.db2.gz VLGGALVVOCOREY-PIIWDFAUSA-N 0 3 536.669 5.118 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020064641 553674961 /nfs/dbraw/zinc/67/49/61/553674961.db2.gz NFALVVLLDRSVLX-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccs1 ZINC000020065368 553675375 /nfs/dbraw/zinc/67/53/75/553675375.db2.gz QKWLJBVDQKSNNY-AREMUKBSSA-N 0 3 504.652 5.556 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020101816 553687188 /nfs/dbraw/zinc/68/71/88/553687188.db2.gz ZXISZMMEERQURO-MUUNZHRXSA-N 0 3 538.685 5.357 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020101816 553687189 /nfs/dbraw/zinc/68/71/89/553687189.db2.gz ZXISZMMEERQURO-MUUNZHRXSA-N 0 3 538.685 5.357 50 30 KKEAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(-c4cccs4)c1C#N)CN(C)CC3)CCC2 ZINC000097940192 553763858 /nfs/dbraw/zinc/76/38/58/553763858.db2.gz GALLZXWUSLNBMX-UHFFFAOYSA-N 0 3 538.720 5.127 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024081204 553788792 /nfs/dbraw/zinc/78/87/92/553788792.db2.gz ZUYITJWKAKQKCU-LJAQVGFWSA-N 0 3 528.649 6.106 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024115945 553789067 /nfs/dbraw/zinc/78/90/67/553789067.db2.gz QNNDGHMSXOXADG-DEOSSOPVSA-N 0 3 527.459 5.242 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024115945 553789070 /nfs/dbraw/zinc/78/90/70/553789070.db2.gz QNNDGHMSXOXADG-DEOSSOPVSA-N 0 3 527.459 5.242 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116152 553789183 /nfs/dbraw/zinc/78/91/83/553789183.db2.gz BCFYXXORRBQKAM-MHZLTWQESA-N 0 3 504.671 5.777 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116152 553789185 /nfs/dbraw/zinc/78/91/85/553789185.db2.gz BCFYXXORRBQKAM-MHZLTWQESA-N 0 3 504.671 5.777 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000026532737 553819138 /nfs/dbraw/zinc/81/91/38/553819138.db2.gz AJROBCFLHOZOOV-NDEPHWFRSA-N 0 3 532.612 5.252 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)c(OC)c2)cc1 ZINC000097962051 553882556 /nfs/dbraw/zinc/88/25/56/553882556.db2.gz YCRAHEMLDDKWMR-FRJOBGHKSA-N 0 3 603.639 5.481 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000097966817 553910713 /nfs/dbraw/zinc/91/07/13/553910713.db2.gz LZNUQVWNVJKOCK-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000097966817 553910716 /nfs/dbraw/zinc/91/07/16/553910716.db2.gz LZNUQVWNVJKOCK-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097966818 553910745 /nfs/dbraw/zinc/91/07/45/553910745.db2.gz LZNUQVWNVJKOCK-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097966818 553910748 /nfs/dbraw/zinc/91/07/48/553910748.db2.gz LZNUQVWNVJKOCK-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966868 553911180 /nfs/dbraw/zinc/91/11/80/553911180.db2.gz NCKYEHVTQUULJY-UUWRZZSWSA-N 0 3 590.720 7.286 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966868 553911185 /nfs/dbraw/zinc/91/11/85/553911185.db2.gz NCKYEHVTQUULJY-UUWRZZSWSA-N 0 3 590.720 7.286 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1C ZINC000097969029 553935789 /nfs/dbraw/zinc/93/57/89/553935789.db2.gz XMMLLUUBWCFKML-RUZDIDTESA-N 0 3 543.502 5.857 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1C ZINC000097969029 553935793 /nfs/dbraw/zinc/93/57/93/553935793.db2.gz XMMLLUUBWCFKML-RUZDIDTESA-N 0 3 543.502 5.857 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097969079 553936608 /nfs/dbraw/zinc/93/66/08/553936608.db2.gz OLMRGPQZZKKAIJ-UMSFTDKQSA-N 0 3 590.720 7.286 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097969079 553936609 /nfs/dbraw/zinc/93/66/09/553936609.db2.gz OLMRGPQZZKKAIJ-UMSFTDKQSA-N 0 3 590.720 7.286 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097969462 553941224 /nfs/dbraw/zinc/94/12/24/553941224.db2.gz OLRSOERJFFSIBI-SSEXGKCCSA-N 0 3 588.701 5.520 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097969534 553941947 /nfs/dbraw/zinc/94/19/47/553941947.db2.gz YSHFYHIGSOXAGZ-SSEXGKCCSA-N 0 3 588.701 5.520 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000097969848 553945843 /nfs/dbraw/zinc/94/58/43/553945843.db2.gz ZNQCJUQMDVAOIW-IIMAJNMQSA-N 0 3 556.659 5.128 50 30 KKEAHN CCc1ccc([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCC2)cc1 ZINC000035671280 554062371 /nfs/dbraw/zinc/06/23/71/554062371.db2.gz ILOOMXJLTUXVKQ-GDLZYMKVSA-N 0 3 527.068 7.257 50 30 KKEAHN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000035671558 554062522 /nfs/dbraw/zinc/06/25/22/554062522.db2.gz SDJUXOZUJWLEKU-DEOSSOPVSA-N 0 3 505.043 6.756 50 30 KKEAHN C=CCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2S1(=O)=O ZINC000098046221 554137025 /nfs/dbraw/zinc/13/70/25/554137025.db2.gz CCAGCFOQAFQXHA-UHFFFAOYSA-N 0 3 542.657 5.271 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000098047518 554152270 /nfs/dbraw/zinc/15/22/70/554152270.db2.gz OZWVQMMDMSUHEI-JOCHJYFZSA-N 0 3 535.866 5.421 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000098047518 554152272 /nfs/dbraw/zinc/15/22/72/554152272.db2.gz OZWVQMMDMSUHEI-JOCHJYFZSA-N 0 3 535.866 5.421 50 30 KKEAHN C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H](N[C@H](C)c1ccccc1)C1=CCOC1=O ZINC000059102059 554378427 /nfs/dbraw/zinc/37/84/27/554378427.db2.gz JULIWOLIFLDVRD-LXPOWWCJSA-N 0 3 537.697 5.463 50 30 biogenic KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175190 554891988 /nfs/dbraw/zinc/89/19/88/554891988.db2.gz FVJDTSBCCYHANL-SBXHHDGASA-N 0 3 529.475 5.166 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102494261 554939983 /nfs/dbraw/zinc/93/99/83/554939983.db2.gz HHQXFIRPTGKPHP-TXTDGAROSA-N 0 3 520.714 6.235 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102494261 554939987 /nfs/dbraw/zinc/93/99/87/554939987.db2.gz HHQXFIRPTGKPHP-TXTDGAROSA-N 0 3 520.714 6.235 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102494604 554940083 /nfs/dbraw/zinc/94/00/83/554940083.db2.gz OGQCYXFHHYIUDB-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102495125 554940197 /nfs/dbraw/zinc/94/01/97/554940197.db2.gz XWXZAMJUPXYSJM-IUKMQXEJSA-N 0 3 533.496 6.244 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102495125 554940199 /nfs/dbraw/zinc/94/01/99/554940199.db2.gz XWXZAMJUPXYSJM-IUKMQXEJSA-N 0 3 533.496 6.244 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102500680 554942922 /nfs/dbraw/zinc/94/29/22/554942922.db2.gz GZXUFWSRNIJOSB-JHRPXHEESA-N 0 3 590.720 7.130 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102500680 554942925 /nfs/dbraw/zinc/94/29/25/554942925.db2.gz GZXUFWSRNIJOSB-JHRPXHEESA-N 0 3 590.720 7.130 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102505404 554944520 /nfs/dbraw/zinc/94/45/20/554944520.db2.gz PCCWSPKRLKRDLF-ONQGDUAMSA-N 0 3 500.595 5.169 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000102508979 554945713 /nfs/dbraw/zinc/94/57/13/554945713.db2.gz GNPCLJMWOBLQAC-SBXHHDGASA-N 0 3 529.475 5.310 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102511756 554946464 /nfs/dbraw/zinc/94/64/64/554946464.db2.gz ABTFSOFGNZBGBL-QMMFTLRZSA-N 0 3 558.675 5.355 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102540284 554957380 /nfs/dbraw/zinc/95/73/80/554957380.db2.gz WTAKFKPURSGWNP-DFXXOVSGSA-N 0 3 514.622 5.559 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102540284 554957382 /nfs/dbraw/zinc/95/73/82/554957382.db2.gz WTAKFKPURSGWNP-DFXXOVSGSA-N 0 3 514.622 5.559 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000102622007 554987471 /nfs/dbraw/zinc/98/74/71/554987471.db2.gz HQPVGNPEQLIKFA-GDLZYMKVSA-N 0 3 544.648 5.203 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102642233 554990999 /nfs/dbraw/zinc/99/09/99/554990999.db2.gz NFIQPPWQBRDXMC-VTVSLZSGSA-N 0 3 550.696 5.351 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102642235 554991048 /nfs/dbraw/zinc/99/10/48/554991048.db2.gz NFIQPPWQBRDXMC-ZHJYXLETSA-N 0 3 550.696 5.351 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102652792 554996873 /nfs/dbraw/zinc/99/68/73/554996873.db2.gz XINQQCBPBZFJNY-VIDUVWHZSA-N 0 3 593.680 5.696 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102655706 554998334 /nfs/dbraw/zinc/99/83/34/554998334.db2.gz RWAICWREIPEQFD-TVKWNQJWSA-N 0 3 573.690 5.542 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(F)cc1 ZINC000102693914 555009150 /nfs/dbraw/zinc/00/91/50/555009150.db2.gz NINHXDKFWHLAJU-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(F)cc1 ZINC000102693914 555009151 /nfs/dbraw/zinc/00/91/51/555009151.db2.gz NINHXDKFWHLAJU-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102700413 555012864 /nfs/dbraw/zinc/01/28/64/555012864.db2.gz NYPCHYYKOQRSJG-MIOXIQPJSA-N 0 3 526.677 5.855 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102705500 555014307 /nfs/dbraw/zinc/01/43/07/555014307.db2.gz XZMXKBFWCPDJQC-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102733642 555024469 /nfs/dbraw/zinc/02/44/69/555024469.db2.gz PKJRHRMBHCDJDU-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(O)c1 ZINC000102734241 555024690 /nfs/dbraw/zinc/02/46/90/555024690.db2.gz AFQHMOOJMZYCEH-DFXXOVSGSA-N 0 3 514.622 5.043 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102858450 555089049 /nfs/dbraw/zinc/08/90/49/555089049.db2.gz DXJGYFXIUONNTJ-QMMFTLRZSA-N 0 3 558.675 5.355 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000102862256 555092328 /nfs/dbraw/zinc/09/23/28/555092328.db2.gz ZUISLRHBEHGXKF-DNVJHFABSA-N 0 3 534.981 5.111 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102862600 555092517 /nfs/dbraw/zinc/09/25/17/555092517.db2.gz MQCOVEGLJKDFPT-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000102879293 555108509 /nfs/dbraw/zinc/10/85/09/555108509.db2.gz IPGDKDCXHZIEOB-YELMDPSYSA-N 0 3 564.723 5.597 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102888907 555122453 /nfs/dbraw/zinc/12/24/53/555122453.db2.gz JOIOPYPBZDMKRD-ZORLYMSLSA-N 0 3 562.751 8.806 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102894885 555133243 /nfs/dbraw/zinc/13/32/43/555133243.db2.gz TVJVWIZUIMBIGY-WGGXKBPPSA-N 0 3 512.650 5.681 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000102926958 555151636 /nfs/dbraw/zinc/15/16/36/555151636.db2.gz JWXKYQSGGBSRNZ-DFXXOVSGSA-N 0 3 567.513 6.644 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102928135 555153226 /nfs/dbraw/zinc/15/32/26/555153226.db2.gz IVGQNBKUWRCEAL-UUALVTFQSA-N 0 3 524.658 5.042 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102930326 555156737 /nfs/dbraw/zinc/15/67/37/555156737.db2.gz OPGLNEIYZJWFGQ-ZORLYMSLSA-N 0 3 554.731 6.635 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102930326 555156740 /nfs/dbraw/zinc/15/67/40/555156740.db2.gz OPGLNEIYZJWFGQ-ZORLYMSLSA-N 0 3 554.731 6.635 50 30 KKEAHN CCCCCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000102999887 555199780 /nfs/dbraw/zinc/19/97/80/555199780.db2.gz FYXGDAQPWFLZIW-JGCGQSQUSA-N 0 3 537.814 6.677 50 30 KKEAHN CCCCCCCCCCCCNC(=O)c1cccc2oc3c(C)c(=O)c(N)c(C(=O)NCCCN(C)C)c-3nc21 ZINC000103005141 555203238 /nfs/dbraw/zinc/20/32/38/555203238.db2.gz VNXKJMDTHYNLBY-UHFFFAOYSA-N 0 3 565.759 5.516 50 30 KKEAHN CC(C)N(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435300 555417709 /nfs/dbraw/zinc/41/77/09/555417709.db2.gz YHXNOUXVXYQOQJ-YIXXDRMTSA-N 0 3 566.561 7.630 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(NC(C)=O)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150352404 571462449 /nfs/dbraw/zinc/46/24/49/571462449.db2.gz YFUQEQDYBKCNTE-CMFYRTQUSA-N 0 3 785.879 7.485 50 30 KKEAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226873315 572144747 /nfs/dbraw/zinc/14/47/47/572144747.db2.gz GZCWSEBHFBQBQX-UPRLRBBYSA-N 0 3 511.578 5.187 50 30 KKEAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226873315 572144749 /nfs/dbraw/zinc/14/47/49/572144749.db2.gz GZCWSEBHFBQBQX-UPRLRBBYSA-N 0 3 511.578 5.187 50 30 KKEAHN CCOc1ccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(CCN4CCCCC4)c4ccccc4n32)cc1 ZINC000334163288 572154419 /nfs/dbraw/zinc/15/44/19/572154419.db2.gz NNJPQCGASAPRQX-JZJYNLBNSA-N 0 3 518.661 6.737 50 30 KKEAHN O=C(N1CCN2CCC[C@@H]2C1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000229919009 572169741 /nfs/dbraw/zinc/16/97/41/572169741.db2.gz UPARLCATMBKQTO-HDBBIHSSSA-N 0 3 604.257 5.166 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000229968034 572174517 /nfs/dbraw/zinc/17/45/17/572174517.db2.gz WXFRTQLZBGAHCD-YTFSRNRJSA-N 0 3 524.429 5.856 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000229968594 572175425 /nfs/dbraw/zinc/17/54/25/572175425.db2.gz ZEKGEUXQBBSNIS-YTFSRNRJSA-N 0 3 534.981 5.111 50 30 KKEAHN CC(C)N(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248033300 572252817 /nfs/dbraw/zinc/25/28/17/572252817.db2.gz YHXNOUXVXYQOQJ-KCWPFWIISA-N 0 3 566.561 7.630 50 30 KKEAHN CCOc1cc(C=NN2CCN([C@@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)ccc1OCCN(C)C ZINC000252589685 572266456 /nfs/dbraw/zinc/26/64/56/572266456.db2.gz AMRCWBAVGJPADL-HHHXNRCGSA-N 0 3 565.183 6.079 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000008904285 553183473 /nfs/dbraw/zinc/18/34/73/553183473.db2.gz PCJNAVOPEDOKRW-MHZLTWQESA-N 0 3 502.586 5.243 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000008905453 553183697 /nfs/dbraw/zinc/18/36/97/553183697.db2.gz WRTOHGKFCKWTSI-AYWGPLOBSA-N 0 3 515.448 5.001 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009041987 553202439 /nfs/dbraw/zinc/20/24/39/553202439.db2.gz KATBLFBQKURWFP-NDEPHWFRSA-N 0 3 520.714 6.392 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009041987 553202442 /nfs/dbraw/zinc/20/24/42/553202442.db2.gz KATBLFBQKURWFP-NDEPHWFRSA-N 0 3 520.714 6.392 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009173517 553215914 /nfs/dbraw/zinc/21/59/14/553215914.db2.gz MPMXGXXNXOAOJA-MUUNZHRXSA-N 0 3 538.685 5.501 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009173517 553215916 /nfs/dbraw/zinc/21/59/16/553215916.db2.gz MPMXGXXNXOAOJA-MUUNZHRXSA-N 0 3 538.685 5.501 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009233365 553224395 /nfs/dbraw/zinc/22/43/95/553224395.db2.gz TYQOHJHRBWWCCE-TXTDGAROSA-N 0 3 520.714 6.091 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009233365 553224397 /nfs/dbraw/zinc/22/43/97/553224397.db2.gz TYQOHJHRBWWCCE-TXTDGAROSA-N 0 3 520.714 6.091 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009270910 553230573 /nfs/dbraw/zinc/23/05/73/553230573.db2.gz HYOQMWCBCQECSE-HHHXNRCGSA-N 0 3 529.593 5.012 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000009302015 553236233 /nfs/dbraw/zinc/23/62/33/553236233.db2.gz IUTJXWSQDSZZBB-NRFANRHFSA-N 0 3 521.839 5.031 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000009334106 553243081 /nfs/dbraw/zinc/24/30/81/553243081.db2.gz NHYWXYVMEDJRET-HHHXNRCGSA-N 0 3 529.593 5.012 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(O)c1 ZINC000013552891 553470954 /nfs/dbraw/zinc/47/09/54/553470954.db2.gz XAIGWPSSHGMZQA-NDEPHWFRSA-N 0 3 514.622 5.200 50 30 KKEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016734033 553578258 /nfs/dbraw/zinc/57/82/58/553578258.db2.gz MHCXUWHWPGYULV-PIIWDFAUSA-N 0 3 512.606 5.332 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020228370 553616411 /nfs/dbraw/zinc/61/64/11/553616411.db2.gz ANRMHFRNHJIBQU-GDLZYMKVSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020229651 553616790 /nfs/dbraw/zinc/61/67/90/553616790.db2.gz XNBBQQNHRLTXCI-MUUNZHRXSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020229651 553616792 /nfs/dbraw/zinc/61/67/92/553616792.db2.gz XNBBQQNHRLTXCI-MUUNZHRXSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020230006 553617089 /nfs/dbraw/zinc/61/70/89/553617089.db2.gz IALRLIFEVOLVPA-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020230006 553617092 /nfs/dbraw/zinc/61/70/92/553617092.db2.gz IALRLIFEVOLVPA-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccccc1F ZINC000020231017 553617452 /nfs/dbraw/zinc/61/74/52/553617452.db2.gz JUDIKNDVMDOQDB-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020324721 553638505 /nfs/dbraw/zinc/63/85/05/553638505.db2.gz SZSFSZKBCVEDTH-LYZGTLIUSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020324715 553638546 /nfs/dbraw/zinc/63/85/46/553638546.db2.gz SZSFSZKBCVEDTH-PIKZIKFNSA-N 0 3 520.670 5.499 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020394558 553645390 /nfs/dbraw/zinc/64/53/90/553645390.db2.gz JIVATQVYRMMPCL-MHZLTWQESA-N 0 3 502.586 5.325 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020394558 553645391 /nfs/dbraw/zinc/64/53/91/553645391.db2.gz JIVATQVYRMMPCL-MHZLTWQESA-N 0 3 502.586 5.325 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020057125 553671082 /nfs/dbraw/zinc/67/10/82/553671082.db2.gz SUMTVFBJLNSVMG-NDEPHWFRSA-N 0 3 514.622 5.716 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020057125 553671085 /nfs/dbraw/zinc/67/10/85/553671085.db2.gz SUMTVFBJLNSVMG-NDEPHWFRSA-N 0 3 514.622 5.716 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020065763 553675678 /nfs/dbraw/zinc/67/56/78/553675678.db2.gz AAXBXHZDSPFUNY-NDEPHWFRSA-N 0 3 520.714 6.247 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020065763 553675681 /nfs/dbraw/zinc/67/56/81/553675681.db2.gz AAXBXHZDSPFUNY-NDEPHWFRSA-N 0 3 520.714 6.247 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080629 553788379 /nfs/dbraw/zinc/78/83/79/553788379.db2.gz NCSDADLZUZEZET-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080629 553788381 /nfs/dbraw/zinc/78/83/81/553788381.db2.gz NCSDADLZUZEZET-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024080905 553788752 /nfs/dbraw/zinc/78/87/52/553788752.db2.gz CVOYOGGXAPMWNE-HHHXNRCGSA-N 0 3 506.687 6.001 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024080905 553788753 /nfs/dbraw/zinc/78/87/53/553788753.db2.gz CVOYOGGXAPMWNE-HHHXNRCGSA-N 0 3 506.687 6.001 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024081201 553788755 /nfs/dbraw/zinc/78/87/55/553788755.db2.gz ZUYITJWKAKQKCU-GDLZYMKVSA-N 0 3 528.649 6.106 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000024334106 553790570 /nfs/dbraw/zinc/79/05/70/553790570.db2.gz RRJMXPFBWBFDDW-MHZLTWQESA-N 0 3 500.595 5.326 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097951589 553809945 /nfs/dbraw/zinc/80/99/45/553809945.db2.gz CFSOZMPAPLQMLT-PMERELPUSA-N 0 3 542.676 6.496 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000097951634 553810251 /nfs/dbraw/zinc/81/02/51/553810251.db2.gz JISQAUMSNSVPNM-SSEXGKCCSA-N 0 3 540.704 6.402 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000097951654 553810647 /nfs/dbraw/zinc/81/06/47/553810647.db2.gz SDAHOZCDVXVMJW-PMERELPUSA-N 0 3 542.676 6.352 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954035 553820962 /nfs/dbraw/zinc/82/09/62/553820962.db2.gz PSQLVCJZVIULCP-SMSORMJASA-N 0 3 540.660 5.509 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954035 553820966 /nfs/dbraw/zinc/82/09/66/553820966.db2.gz PSQLVCJZVIULCP-SMSORMJASA-N 0 3 540.660 5.509 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954037 553820987 /nfs/dbraw/zinc/82/09/87/553820987.db2.gz PSQLVCJZVIULCP-YKGWIAGDSA-N 0 3 540.660 5.509 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954037 553820990 /nfs/dbraw/zinc/82/09/90/553820990.db2.gz PSQLVCJZVIULCP-YKGWIAGDSA-N 0 3 540.660 5.509 50 30 KKEAHN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccccc1)N1CCCCC1 ZINC000032624551 553870511 /nfs/dbraw/zinc/87/05/11/553870511.db2.gz NPQGZSQNYFSZOI-MUUNZHRXSA-N 0 3 513.041 7.085 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000097966796 553910319 /nfs/dbraw/zinc/91/03/19/553910319.db2.gz CKMXFYUKODHSII-MHZLTWQESA-N 0 3 553.486 6.411 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097966779 553910324 /nfs/dbraw/zinc/91/03/24/553910324.db2.gz DSLQPSVZQXDPCA-PMERELPUSA-N 0 3 558.675 5.511 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097966779 553910327 /nfs/dbraw/zinc/91/03/27/553910327.db2.gz DSLQPSVZQXDPCA-PMERELPUSA-N 0 3 558.675 5.511 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097966778 553910360 /nfs/dbraw/zinc/91/03/60/553910360.db2.gz DSLQPSVZQXDPCA-SSEXGKCCSA-N 0 3 558.675 5.511 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097966778 553910364 /nfs/dbraw/zinc/91/03/64/553910364.db2.gz DSLQPSVZQXDPCA-SSEXGKCCSA-N 0 3 558.675 5.511 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966871 553911170 /nfs/dbraw/zinc/91/11/70/553911170.db2.gz ATFYGAYHRBZQQA-NDEPHWFRSA-N 0 3 543.620 5.402 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000097967141 553914441 /nfs/dbraw/zinc/91/44/41/553914441.db2.gz XLVLIFCDRNNMHA-HHHXNRCGSA-N 0 3 563.492 5.867 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097967169 553914697 /nfs/dbraw/zinc/91/46/97/553914697.db2.gz NOFYXFBKCKRHOM-HHHXNRCGSA-N 0 3 553.486 6.411 50 30 KKEAHN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2Cl)cc1 ZINC000097967825 553923461 /nfs/dbraw/zinc/92/34/61/553923461.db2.gz QIHQCPTZBWCLEG-NPJNASAPSA-N 0 3 578.032 6.117 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1OC ZINC000097968058 553927078 /nfs/dbraw/zinc/92/70/78/553927078.db2.gz SAETTWUXJQIOON-FTLBEKPUSA-N 0 3 563.574 5.065 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(CO/N=C\c4ccccc4)nn3cnc1O2 ZINC000097968286 553929863 /nfs/dbraw/zinc/92/98/63/553929863.db2.gz AKNMBDAHQFZXLP-YWXNFOLHSA-N 0 3 548.006 6.108 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097969078 553936569 /nfs/dbraw/zinc/93/65/69/553936569.db2.gz OLMRGPQZZKKAIJ-UUWRZZSWSA-N 0 3 590.720 7.286 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097969078 553936572 /nfs/dbraw/zinc/93/65/72/553936572.db2.gz OLMRGPQZZKKAIJ-UUWRZZSWSA-N 0 3 590.720 7.286 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000097969430 553940785 /nfs/dbraw/zinc/94/07/85/553940785.db2.gz ZKSIFRDGMSHPRD-PMERELPUSA-N 0 3 542.676 5.893 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097969522 553941922 /nfs/dbraw/zinc/94/19/22/553941922.db2.gz PDYGNIITUIKPGV-WJOKGBTCSA-N 0 3 572.702 5.901 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097969522 553941923 /nfs/dbraw/zinc/94/19/23/553941923.db2.gz PDYGNIITUIKPGV-WJOKGBTCSA-N 0 3 572.702 5.901 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000097969541 553942160 /nfs/dbraw/zinc/94/21/60/553942160.db2.gz NFOFENVBBACMQG-VWLOTQADSA-N 0 3 543.502 5.712 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097971028 553960614 /nfs/dbraw/zinc/96/06/14/553960614.db2.gz YXUGHIYQJISXMF-NDEPHWFRSA-N 0 3 567.513 6.801 50 30 KKEAHN Brc1ccc(/C=N/CCC23CC4CC(C2)CC(CC/N=C/c2ccc(Br)cc2)(C4)C3)cc1 ZINC000097984579 554017483 /nfs/dbraw/zinc/01/74/83/554017483.db2.gz QCKQVWLMQKZYME-QCPYDNSOSA-N 0 3 556.386 8.116 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000035939917 554101772 /nfs/dbraw/zinc/10/17/72/554101772.db2.gz MSSADAXNOLJCJI-LJAQVGFWSA-N 0 3 574.674 5.130 50 30 KKEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000101297461 554712504 /nfs/dbraw/zinc/71/25/04/554712504.db2.gz MJCYBSMFQWUOLZ-WGGXKBPPSA-N 0 3 526.633 5.122 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000102168853 554890567 /nfs/dbraw/zinc/89/05/67/554890567.db2.gz QPYTWUZWLBURIH-NXLSWJSLSA-N 0 3 529.475 5.166 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102489203 554938810 /nfs/dbraw/zinc/93/88/10/554938810.db2.gz GKPOCIVHTMBXHD-QMMFTLRZSA-N 0 3 558.675 5.355 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102489203 554938812 /nfs/dbraw/zinc/93/88/12/554938812.db2.gz GKPOCIVHTMBXHD-QMMFTLRZSA-N 0 3 558.675 5.355 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102497119 554941082 /nfs/dbraw/zinc/94/10/82/554941082.db2.gz HYMXCTWQPDHVMC-TXTDGAROSA-N 0 3 538.685 5.201 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102497119 554941083 /nfs/dbraw/zinc/94/10/83/554941083.db2.gz HYMXCTWQPDHVMC-TXTDGAROSA-N 0 3 538.685 5.201 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102518248 554949030 /nfs/dbraw/zinc/94/90/30/554949030.db2.gz IWTASJNLLDFNIK-DFXXOVSGSA-N 0 3 567.513 6.644 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102518248 554949033 /nfs/dbraw/zinc/94/90/33/554949033.db2.gz IWTASJNLLDFNIK-DFXXOVSGSA-N 0 3 567.513 6.644 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000102656184 554999117 /nfs/dbraw/zinc/99/91/17/554999117.db2.gz QZLJJNYFFKRSNZ-WGGXKBPPSA-N 0 3 566.695 5.045 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102693918 555009198 /nfs/dbraw/zinc/00/91/98/555009198.db2.gz NINHXDKFWHLAJU-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102693918 555009200 /nfs/dbraw/zinc/00/92/00/555009200.db2.gz NINHXDKFWHLAJU-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102697407 555011953 /nfs/dbraw/zinc/01/19/53/555011953.db2.gz WUMRYPWAFNNUHR-TXTDGAROSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102697407 555011955 /nfs/dbraw/zinc/01/19/55/555011955.db2.gz WUMRYPWAFNNUHR-TXTDGAROSA-N 0 3 533.068 5.991 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102702928 555013353 /nfs/dbraw/zinc/01/33/53/555013353.db2.gz HPVUYUKPCLGYLB-NPJIAGGLSA-N 0 3 543.502 5.700 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102713367 555017735 /nfs/dbraw/zinc/01/77/35/555017735.db2.gz HNYGVFNSMCPWFM-MPFGFTFXSA-N 0 3 543.620 6.385 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102861449 555091540 /nfs/dbraw/zinc/09/15/40/555091540.db2.gz RXLCZQNPPOIHKP-NPJIAGGLSA-N 0 3 543.502 5.700 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102874219 555104355 /nfs/dbraw/zinc/10/43/55/555104355.db2.gz IVRXSFSCEVLVFC-QMMFTLRZSA-N 0 3 526.677 5.900 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102874219 555104357 /nfs/dbraw/zinc/10/43/57/555104357.db2.gz IVRXSFSCEVLVFC-QMMFTLRZSA-N 0 3 526.677 5.900 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000102887556 555119603 /nfs/dbraw/zinc/11/96/03/555119603.db2.gz MUPNEXMLSDCSTK-GYBOJBDRSA-N 0 3 570.686 5.361 50 30 KKEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102891770 555127794 /nfs/dbraw/zinc/12/77/94/555127794.db2.gz HMIWYYSJCAGKNK-CJJGVWJISA-N 0 3 505.014 5.292 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102927846 555152645 /nfs/dbraw/zinc/15/26/45/555152645.db2.gz SAKSRYGNRWYQOQ-UUALVTFQSA-N 0 3 500.595 5.169 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102927853 555152659 /nfs/dbraw/zinc/15/26/59/555152659.db2.gz KIJCFVMQMWDDQQ-TXTDGAROSA-N 0 3 543.620 5.246 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102927844 555152700 /nfs/dbraw/zinc/15/27/00/555152700.db2.gz SAKSRYGNRWYQOQ-ONQGDUAMSA-N 0 3 500.595 5.169 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000102930522 555157347 /nfs/dbraw/zinc/15/73/47/555157347.db2.gz BLOKKMKNHISNHE-UUALVTFQSA-N 0 3 508.659 5.336 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000102930522 555157350 /nfs/dbraw/zinc/15/73/50/555157350.db2.gz BLOKKMKNHISNHE-UUALVTFQSA-N 0 3 508.659 5.336 50 30 KKEAHN COc1ccc([C@H]2C/C(=N/CCc3ccc(OC)c(OC)c3)[C@](C)(O)CN2CCc2ccc(OC)c(OC)c2)cc1 ZINC000111092222 571431980 /nfs/dbraw/zinc/43/19/80/571431980.db2.gz ISFHCXVPJVRMQY-BWZFVGCASA-N 0 3 562.707 5.154 50 30 KKEAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000137931036 571450847 /nfs/dbraw/zinc/45/08/47/571450847.db2.gz RVQGPYWMGTXOPQ-RBZQAINGSA-N 0 3 504.011 5.512 50 30 KKEAHN CCOC(=O)c1c2cc(Oc3nccc(Nc4ccc(OC)cc4)c3C#N)ccc2n(-c2ccc(Br)cc2)c1CN(CC)CC ZINC000150471922 571509834 /nfs/dbraw/zinc/50/98/34/571509834.db2.gz MPVZLZFXSCBRHM-UHFFFAOYSA-N 0 3 668.592 8.223 50 30 KKEAHN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NN=C2NC(=O)C(C(C)C)S2)cc1Cl ZINC000252639699 572272280 /nfs/dbraw/zinc/27/22/80/572272280.db2.gz YMWNIHGZLVVQFU-JOCHJYFZSA-N 0 3 516.044 5.147 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383614 552987102 /nfs/dbraw/zinc/98/71/02/552987102.db2.gz JNPOEWHETXFYER-UVDDSOTQSA-N 0 3 570.686 5.518 50 30 KKEAHN CC(C)OP(=O)(OC(C)C)[C@H](C(C)C)N(C)C(=N)NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(C(F)(F)F)C(F)(F)F)O1 ZINC000008445378 553054266 /nfs/dbraw/zinc/05/42/66/553054266.db2.gz IZJWLHBRJGIBGU-CYBMUJFWSA-N 0 3 661.425 6.605 50 30 KKEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000008738097 553130648 /nfs/dbraw/zinc/13/06/48/553130648.db2.gz AZVWCUBXCFLDEC-NDEPHWFRSA-N 0 3 514.622 5.113 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000008738440 553130718 /nfs/dbraw/zinc/13/07/18/553130718.db2.gz CXQBUGAFUQKEPR-HHHXNRCGSA-N 0 3 519.041 5.757 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000008817171 553152536 /nfs/dbraw/zinc/15/25/36/553152536.db2.gz FXQQXRWDYWWCFY-MHZLTWQESA-N 0 3 506.687 6.001 50 30 KKEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000008817227 553152567 /nfs/dbraw/zinc/15/25/67/553152567.db2.gz QRFGWJVPPAWHIN-AREMUKBSSA-N 0 3 500.643 5.008 50 30 KKEAHN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3NC(C)(C)/C2=N\Cc2ccccc2)S1 ZINC000008965443 553194998 /nfs/dbraw/zinc/19/49/98/553194998.db2.gz XBUKIXLKQHBSQV-QYQHSDTDSA-N 0 3 510.637 5.247 50 30 KKEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000008996335 553197195 /nfs/dbraw/zinc/19/71/95/553197195.db2.gz IYNKPAUQZKNDSZ-GDLZYMKVSA-N 0 3 526.633 5.279 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000008996948 553197518 /nfs/dbraw/zinc/19/75/18/553197518.db2.gz MRUNBSZOORKYJQ-GDLZYMKVSA-N 0 3 526.677 6.011 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000008997036 553197771 /nfs/dbraw/zinc/19/77/71/553197771.db2.gz ZVLBHWAKDGRWJF-LJAQVGFWSA-N 0 3 527.665 5.170 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000009041765 553202446 /nfs/dbraw/zinc/20/24/46/553202446.db2.gz SKEUQOUNZHIONP-RUZDIDTESA-N 0 3 509.603 5.002 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000009041761 553202488 /nfs/dbraw/zinc/20/24/88/553202488.db2.gz SKEUQOUNZHIONP-VWLOTQADSA-N 0 3 509.603 5.002 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000009044743 553203373 /nfs/dbraw/zinc/20/33/73/553203373.db2.gz QWMACSNRFOZTCR-VWLOTQADSA-N 0 3 509.603 5.002 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009232521 553223815 /nfs/dbraw/zinc/22/38/15/553223815.db2.gz OGJVQMBJJSQDLE-ONQGDUAMSA-N 0 3 508.659 5.192 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009232521 553223817 /nfs/dbraw/zinc/22/38/17/553223817.db2.gz OGJVQMBJJSQDLE-ONQGDUAMSA-N 0 3 508.659 5.192 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000009232516 553223853 /nfs/dbraw/zinc/22/38/53/553223853.db2.gz OGJVQMBJJSQDLE-UUALVTFQSA-N 0 3 508.659 5.192 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009232516 553223854 /nfs/dbraw/zinc/22/38/54/553223854.db2.gz OGJVQMBJJSQDLE-UUALVTFQSA-N 0 3 508.659 5.192 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009244347 553227311 /nfs/dbraw/zinc/22/73/11/553227311.db2.gz HQIZFPRSQUOYNJ-HSZRJFAPSA-N 0 3 505.442 5.558 50 30 KKEAHN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000009270704 553230587 /nfs/dbraw/zinc/23/05/87/553230587.db2.gz NEOJXYKRCCDMCR-QHCPKHFHSA-N 0 3 515.448 5.075 50 30 KKEAHN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000009270704 553230590 /nfs/dbraw/zinc/23/05/90/553230590.db2.gz NEOJXYKRCCDMCR-QHCPKHFHSA-N 0 3 515.448 5.075 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009312480 553240454 /nfs/dbraw/zinc/24/04/54/553240454.db2.gz XHYDSTCFOPPTQR-WMRKGWLDSA-N 0 3 520.670 5.198 50 30 KKEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009313062 553240894 /nfs/dbraw/zinc/24/08/94/553240894.db2.gz IURHMKDFFVVRDN-NDEPHWFRSA-N 0 3 514.622 5.113 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000009340008 553243829 /nfs/dbraw/zinc/24/38/29/553243829.db2.gz NHYWXYVMEDJRET-MHZLTWQESA-N 0 3 529.593 5.012 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009460749 553266970 /nfs/dbraw/zinc/26/69/70/553266970.db2.gz ITCKMDHIOCYARI-HSZRJFAPSA-N 0 3 505.442 5.558 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccccc3F)cc2)c1 ZINC000013569755 553473615 /nfs/dbraw/zinc/47/36/15/553473615.db2.gz HBLYFDGMWVSUCY-MHZLTWQESA-N 0 3 502.586 5.243 50 30 KKEAHN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccc(OC)c(C)c2OC)CC1 ZINC000015003796 553525126 /nfs/dbraw/zinc/52/51/26/553525126.db2.gz JFTAAARHTSCRPZ-UHFFFAOYSA-N 0 3 513.107 6.115 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000016729149 553575561 /nfs/dbraw/zinc/57/55/61/553575561.db2.gz JYKCOCNPIIVTJD-SANMLTNESA-N 0 3 504.558 5.157 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020130902 553591450 /nfs/dbraw/zinc/59/14/50/553591450.db2.gz IXRHDEMGWQUJKR-MUUNZHRXSA-N 0 3 514.622 5.716 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020130902 553591453 /nfs/dbraw/zinc/59/14/53/553591453.db2.gz IXRHDEMGWQUJKR-MUUNZHRXSA-N 0 3 514.622 5.716 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1CCC(C)C ZINC000020149991 553594994 /nfs/dbraw/zinc/59/49/94/553594994.db2.gz CBCOZRKJHMWMTK-UHFFFAOYSA-N 0 3 527.716 7.168 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000020230382 553617131 /nfs/dbraw/zinc/61/71/31/553617131.db2.gz FLYYBJCUFLZPNQ-PMERELPUSA-N 0 3 526.677 6.227 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000020230386 553617137 /nfs/dbraw/zinc/61/71/37/553617137.db2.gz FLYYBJCUFLZPNQ-SSEXGKCCSA-N 0 3 526.677 6.227 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020290276 553635027 /nfs/dbraw/zinc/63/50/27/553635027.db2.gz XNBYBBZLBZLBOC-NGOKVRLYSA-N 0 3 536.669 5.118 50 30 KKEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020324701 553638550 /nfs/dbraw/zinc/63/85/50/553638550.db2.gz SZSFSZKBCVEDTH-KMRXNPHXSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020394534 553645258 /nfs/dbraw/zinc/64/52/58/553645258.db2.gz VLGGALVVOCOREY-NGOKVRLYSA-N 0 3 536.669 5.118 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000020029353 553664099 /nfs/dbraw/zinc/66/40/99/553664099.db2.gz CLJQLOIEYOWRCG-GDLZYMKVSA-N 0 3 528.649 6.105 50 30 KKEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 ZINC000020609742 553678376 /nfs/dbraw/zinc/67/83/76/553678376.db2.gz IETVWEAXJASMJR-QNLYJVETSA-N 0 3 519.129 6.361 50 30 biogenic KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000024080679 553788410 /nfs/dbraw/zinc/78/84/10/553788410.db2.gz DOGWBUSRLPSMBW-LJAQVGFWSA-N 0 3 528.649 6.106 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024081105 553788757 /nfs/dbraw/zinc/78/87/57/553788757.db2.gz BRLLFGKJWZKNMW-MHZLTWQESA-N 0 3 504.671 5.777 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024081105 553788758 /nfs/dbraw/zinc/78/87/58/553788758.db2.gz BRLLFGKJWZKNMW-MHZLTWQESA-N 0 3 504.671 5.777 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024080988 553788794 /nfs/dbraw/zinc/78/87/94/553788794.db2.gz WTNBJSOZIKWUKK-LJAQVGFWSA-N 0 3 528.649 6.106 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024080988 553788795 /nfs/dbraw/zinc/78/87/95/553788795.db2.gz WTNBJSOZIKWUKK-LJAQVGFWSA-N 0 3 528.649 6.106 50 30 KKEAHN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1OC ZINC000097965913 553906191 /nfs/dbraw/zinc/90/61/91/553906191.db2.gz OYHUGIJBBMUHPP-PYSWJWCMSA-N 0 3 577.601 5.455 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097966932 553911882 /nfs/dbraw/zinc/91/18/82/553911882.db2.gz YTYTUWTXAFFOTO-LJAQVGFWSA-N 0 3 574.674 5.130 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000097966924 553911929 /nfs/dbraw/zinc/91/19/29/553911929.db2.gz MHESWYYNMGQGCU-HHHXNRCGSA-N 0 3 563.492 5.867 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967470 553918883 /nfs/dbraw/zinc/91/88/83/553918883.db2.gz NMQJZRQLTASKJQ-UDNBHOFDSA-N 0 3 593.680 5.853 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000097967762 553922828 /nfs/dbraw/zinc/92/28/28/553922828.db2.gz GHIHHQINBWGUKF-ONOMSOESSA-N 0 3 550.696 5.364 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)C4c2ccco2)cc1OC ZINC000097967898 553924872 /nfs/dbraw/zinc/92/48/72/553924872.db2.gz KFJAQLDXMIMFBS-ZAPICVQLSA-N 0 3 598.019 5.719 50 30 KKEAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(-c4cccs4)c1C#N)CN(C)CC3)CCCC2 ZINC000033353778 553927072 /nfs/dbraw/zinc/92/70/72/553927072.db2.gz GLBIRVVZGXTCIJ-UHFFFAOYSA-N 0 3 552.747 5.517 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000097969023 553935913 /nfs/dbraw/zinc/93/59/13/553935913.db2.gz UXGOVXUKIIZJHL-MUUNZHRXSA-N 0 3 577.519 6.257 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000097969429 553940797 /nfs/dbraw/zinc/94/07/97/553940797.db2.gz ZKSIFRDGMSHPRD-SSEXGKCCSA-N 0 3 542.676 5.893 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000097969567 553942217 /nfs/dbraw/zinc/94/22/17/553942217.db2.gz CSVMEZQQRCCXHE-GSFXXTHYSA-N 0 3 574.762 9.054 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000097971008 553960303 /nfs/dbraw/zinc/96/03/03/553960303.db2.gz CRQAANBNMAUONN-WJOKGBTCSA-N 0 3 554.731 6.792 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000097971008 553960304 /nfs/dbraw/zinc/96/03/04/553960304.db2.gz CRQAANBNMAUONN-WJOKGBTCSA-N 0 3 554.731 6.792 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097973665 553968472 /nfs/dbraw/zinc/96/84/72/553968472.db2.gz WNWUMIPFLOKTEZ-UAQIPLLRSA-N 0 3 801.878 6.801 50 30 KKEAHN CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864673 554022036 /nfs/dbraw/zinc/02/20/36/554022036.db2.gz VAEZLCHCFUMAGF-PLXITOTLSA-N 0 3 500.595 6.167 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000098047692 554154485 /nfs/dbraw/zinc/15/44/85/554154485.db2.gz UKCOVRSVGCBAJO-QFIPXVFZSA-N 0 3 535.866 5.421 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000098047692 554154487 /nfs/dbraw/zinc/15/44/87/554154487.db2.gz UKCOVRSVGCBAJO-QFIPXVFZSA-N 0 3 535.866 5.421 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100736998 554461137 /nfs/dbraw/zinc/46/11/37/554461137.db2.gz ZQAAXDLLOHXGDX-SSEXGKCCSA-N 0 3 540.660 6.272 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100736998 554461142 /nfs/dbraw/zinc/46/11/42/554461142.db2.gz ZQAAXDLLOHXGDX-SSEXGKCCSA-N 0 3 540.660 6.272 50 30 KKEAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101249678 554693794 /nfs/dbraw/zinc/69/37/94/554693794.db2.gz GZCWSEBHFBQBQX-IARZGTGTSA-N 0 3 511.578 5.187 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101267054 554699567 /nfs/dbraw/zinc/69/95/67/554699567.db2.gz AKNMBDAHQFZXLP-SPFJJUEISA-N 0 3 548.006 6.108 50 30 KKEAHN COc1ccc([C@@H]2C/C(=N/CCc3ccc(OC)c(OC)c3)[C@@](C)(O)CN2CCc2ccc(OC)c(OC)c2)cc1 ZINC000101392368 554755951 /nfs/dbraw/zinc/75/59/51/554755951.db2.gz ISFHCXVPJVRMQY-MBJPJXRYSA-N 0 3 562.707 5.154 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000102175230 554891963 /nfs/dbraw/zinc/89/19/63/554891963.db2.gz CYIYAOCDOFKHNY-ONQGDUAMSA-N 0 3 506.687 5.701 50 30 KKEAHN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102409679 554923028 /nfs/dbraw/zinc/92/30/28/554923028.db2.gz UMDHSRFLKJGIQI-UHFFFAOYSA-N 0 3 569.797 8.482 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102500671 554942879 /nfs/dbraw/zinc/94/28/79/554942879.db2.gz GZXUFWSRNIJOSB-RWTZSVALSA-N 0 3 590.720 7.130 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102500671 554942880 /nfs/dbraw/zinc/94/28/80/554942880.db2.gz GZXUFWSRNIJOSB-RWTZSVALSA-N 0 3 590.720 7.130 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000102535164 554955302 /nfs/dbraw/zinc/95/53/02/554955302.db2.gz UYFLOITXMIDYSW-UUALVTFQSA-N 0 3 553.486 6.254 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000102542654 554958195 /nfs/dbraw/zinc/95/81/95/554958195.db2.gz ZMGKTKZJBNOEIR-WGGXKBPPSA-N 0 3 512.650 5.646 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000102542654 554958197 /nfs/dbraw/zinc/95/81/97/554958197.db2.gz ZMGKTKZJBNOEIR-WGGXKBPPSA-N 0 3 512.650 5.646 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102690591 555008143 /nfs/dbraw/zinc/00/81/43/555008143.db2.gz FJTBBTNRKFZTHO-ONQGDUAMSA-N 0 3 519.041 5.601 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102713441 555017653 /nfs/dbraw/zinc/01/76/53/555017653.db2.gz ZYYGSVVNZPPEMD-UUALVTFQSA-N 0 3 502.586 5.087 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccccc1F ZINC000102715559 555018595 /nfs/dbraw/zinc/01/85/95/555018595.db2.gz PBMWPXRUNITLFM-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)o1 ZINC000102730711 555023526 /nfs/dbraw/zinc/02/35/26/555023526.db2.gz BQRZOHHKVKBODL-UUALVTFQSA-N 0 3 502.611 5.239 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102863072 555092923 /nfs/dbraw/zinc/09/29/23/555092923.db2.gz SREFVLCPULPRIF-DFXXOVSGSA-N 0 3 543.620 5.246 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102874217 555104390 /nfs/dbraw/zinc/10/43/90/555104390.db2.gz IVRXSFSCEVLVFC-VEZPTTSMSA-N 0 3 526.677 5.900 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102874217 555104391 /nfs/dbraw/zinc/10/43/91/555104391.db2.gz IVRXSFSCEVLVFC-VEZPTTSMSA-N 0 3 526.677 5.900 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896560 555136670 /nfs/dbraw/zinc/13/66/70/555136670.db2.gz NFRFIHANKJLNQM-VDBNUPDGSA-N 0 3 579.653 5.306 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102896818 555136945 /nfs/dbraw/zinc/13/69/45/555136945.db2.gz OZFCZMWGZTVHBU-MIOXIQPJSA-N 0 3 566.695 5.189 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102933421 555160572 /nfs/dbraw/zinc/16/05/72/555160572.db2.gz UGGQCHUUFZWWNH-WGGXKBPPSA-N 0 3 512.650 5.510 50 30 KKEAHN O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000103246777 555343583 /nfs/dbraw/zinc/34/35/83/555343583.db2.gz HJXRCNJUIYKYRS-UHFFFAOYSA-N 0 3 612.521 6.264 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000136676607 571449665 /nfs/dbraw/zinc/44/96/65/571449665.db2.gz NZAJAIHYBJZJLJ-FCCLLSDDSA-N 0 3 574.762 9.054 50 30 KKEAHN O=C(OCC(F)(F)F)c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000136997725 571449889 /nfs/dbraw/zinc/44/98/89/571449889.db2.gz CIPSFAVLHKASEX-UHFFFAOYSA-N 0 3 619.524 7.591 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150353434 571462786 /nfs/dbraw/zinc/46/27/86/571462786.db2.gz TXZRTLKYXTXDQF-PBRWWWDFSA-N 0 3 799.906 7.812 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3cccc(Cl)c3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3cccc(Cl)c3)N=C(N)N2)cc1C#N ZINC000150426855 571491139 /nfs/dbraw/zinc/49/11/39/571491139.db2.gz ZTKQTKYHAZBQQF-LQJZCPKCSA-N 0 3 809.769 5.616 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3cccc(Cl)c3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3cccc(Cl)c3)N=C(N)N2)cc1C#N ZINC000150426860 571491150 /nfs/dbraw/zinc/49/11/50/571491150.db2.gz ZTKQTKYHAZBQQF-CZFRINIUSA-N 0 3 809.769 5.616 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3)N=C(N)N2)cc1C#N ZINC000150426984 571491339 /nfs/dbraw/zinc/49/13/39/571491339.db2.gz BVWGGTGCCJYKLU-CZNDPXEESA-N 0 3 809.769 5.616 50 30 KKEAHN CCOC(=O)c1c2c(sc1NC(=O)C(C#N)c1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000150476896 571511021 /nfs/dbraw/zinc/51/10/21/571511021.db2.gz FLPDOWVDTMXPFT-LJAQVGFWSA-N 0 3 670.839 6.904 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000169688921 571558485 /nfs/dbraw/zinc/55/84/85/571558485.db2.gz ZUISLRHBEHGXKF-RJGXRXQPSA-N 0 3 534.981 5.111 50 30 KKEAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000170620721 571562639 /nfs/dbraw/zinc/56/26/39/571562639.db2.gz KPONMRUJQNUCBT-ISJGIBHGSA-N 0 3 550.036 5.220 50 30 KKEAHN CC(C)CN(C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249732 572257101 /nfs/dbraw/zinc/25/71/01/572257101.db2.gz RUIYJHFRUHGXNR-SQHAQQRYSA-N 0 3 580.588 7.877 50 30 KKEAHN CN(C)CCOc1cccc(/C=N\N2CCN([C@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)c1 ZINC000008386060 552991565 /nfs/dbraw/zinc/99/15/65/552991565.db2.gz JRWQSZYMLRVPHY-IPTVOOGLSA-N 0 3 521.130 5.681 50 30 KKEAHN O=C(Oc1c(Br)cc(Br)cc1/C=N/c1ccc(N2CCNCC2)cc1)c1ccccc1Br ZINC000008386370 552992023 /nfs/dbraw/zinc/99/20/23/552992023.db2.gz QOOYEEJJPWTJTC-WKULSOCRSA-N 0 3 622.155 6.354 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000008818036 553153378 /nfs/dbraw/zinc/15/33/78/553153378.db2.gz FXQQXRWDYWWCFY-HHHXNRCGSA-N 0 3 506.687 6.001 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000008903215 553182745 /nfs/dbraw/zinc/18/27/45/553182745.db2.gz ZWJYMYLFFOQPLO-DEOSSOPVSA-N 0 3 529.475 5.322 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000008902294 553182784 /nfs/dbraw/zinc/18/27/84/553182784.db2.gz CTXZKNLSJGXQFU-IUKMQXEJSA-N 0 3 504.627 5.502 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000008997037 553197727 /nfs/dbraw/zinc/19/77/27/553197727.db2.gz ZVLBHWAKDGRWJF-GDLZYMKVSA-N 0 3 527.665 5.170 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000009045207 553203359 /nfs/dbraw/zinc/20/33/59/553203359.db2.gz XLEHWOBBEISREA-LJAQVGFWSA-N 0 3 528.649 5.962 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009046319 553203788 /nfs/dbraw/zinc/20/37/88/553203788.db2.gz UPYTYYRQPGEMTG-QMMFTLRZSA-N 0 3 526.677 5.900 50 30 KKEAHN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccco1)c1ccccc1 ZINC000009187293 553217891 /nfs/dbraw/zinc/21/78/91/553217891.db2.gz CURKAMLTOJTWKL-QYZUTXGSSA-N 0 3 517.549 5.438 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009243630 553226776 /nfs/dbraw/zinc/22/67/76/553226776.db2.gz XHEKQTBLFZMCSN-GDLZYMKVSA-N 0 3 512.650 5.837 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000013562989 553472001 /nfs/dbraw/zinc/47/20/01/553472001.db2.gz XVWLRNGMHZZSKC-HHHXNRCGSA-N 0 3 500.595 5.326 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000016804835 553582668 /nfs/dbraw/zinc/58/26/68/553582668.db2.gz ARBOAZJMHZNDGR-GDLZYMKVSA-N 0 3 526.633 5.882 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219697 553615477 /nfs/dbraw/zinc/61/54/77/553615477.db2.gz YDTPSRSLBUMMPD-GDLZYMKVSA-N 0 3 528.649 5.373 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219697 553615478 /nfs/dbraw/zinc/61/54/78/553615478.db2.gz YDTPSRSLBUMMPD-GDLZYMKVSA-N 0 3 528.649 5.373 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000020229648 553616673 /nfs/dbraw/zinc/61/66/73/553616673.db2.gz XNBBQQNHRLTXCI-NDEPHWFRSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000020229648 553616674 /nfs/dbraw/zinc/61/66/74/553616674.db2.gz XNBBQQNHRLTXCI-NDEPHWFRSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccs1 ZINC000020231196 553617518 /nfs/dbraw/zinc/61/75/18/553617518.db2.gz FRGMSUVGTRCGAW-SANMLTNESA-N 0 3 504.652 5.556 50 30 KKEAHN CN1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)c(-c3ccsc3)c2C1 ZINC000019852702 553624149 /nfs/dbraw/zinc/62/41/49/553624149.db2.gz IOMXRXNKNDXXON-UHFFFAOYSA-N 0 3 505.694 5.212 50 30 KKEAHN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000020271076 553630573 /nfs/dbraw/zinc/63/05/73/553630573.db2.gz HSAHFRRLTZCQLM-UHFFFAOYSA-N 0 3 513.107 6.197 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020308031 553635958 /nfs/dbraw/zinc/63/59/58/553635958.db2.gz QLEDBOHHCLIPTB-XMMPIXPASA-N 0 3 501.023 5.058 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020308031 553635961 /nfs/dbraw/zinc/63/59/61/553635961.db2.gz QLEDBOHHCLIPTB-XMMPIXPASA-N 0 3 501.023 5.058 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020308029 553636080 /nfs/dbraw/zinc/63/60/80/553636080.db2.gz QLEDBOHHCLIPTB-DEOSSOPVSA-N 0 3 501.023 5.058 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020308029 553636084 /nfs/dbraw/zinc/63/60/84/553636084.db2.gz QLEDBOHHCLIPTB-DEOSSOPVSA-N 0 3 501.023 5.058 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938453 553637842 /nfs/dbraw/zinc/63/78/42/553637842.db2.gz QRRWHQRIIGJUFJ-ONOMSOESSA-N 0 3 526.633 5.722 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938453 553637843 /nfs/dbraw/zinc/63/78/43/553637843.db2.gz QRRWHQRIIGJUFJ-ONOMSOESSA-N 0 3 526.633 5.722 50 30 KKEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020323994 553638202 /nfs/dbraw/zinc/63/82/02/553638202.db2.gz HUFNZDCZPTYODW-CCLHPLFOSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020324708 553638540 /nfs/dbraw/zinc/63/85/40/553638540.db2.gz SZSFSZKBCVEDTH-RBTNQOKQSA-N 0 3 520.670 5.499 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020393716 553645273 /nfs/dbraw/zinc/64/52/73/553645273.db2.gz PZJKVNCLGUWPGI-HSZRJFAPSA-N 0 3 505.442 5.701 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020081457 553680701 /nfs/dbraw/zinc/68/07/01/553680701.db2.gz VFBRRMSRZRNELH-MHZLTWQESA-N 0 3 524.658 5.054 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000020102975 553687657 /nfs/dbraw/zinc/68/76/57/553687657.db2.gz WXPDNEINFVUVKP-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080617 553788429 /nfs/dbraw/zinc/78/84/29/553788429.db2.gz YPEFDTUNOPYXDO-HSZRJFAPSA-N 0 3 515.448 5.076 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024081108 553788763 /nfs/dbraw/zinc/78/87/63/553788763.db2.gz BRLLFGKJWZKNMW-HHHXNRCGSA-N 0 3 504.671 5.777 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024081108 553788764 /nfs/dbraw/zinc/78/87/64/553788764.db2.gz BRLLFGKJWZKNMW-HHHXNRCGSA-N 0 3 504.671 5.777 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024115951 553789089 /nfs/dbraw/zinc/78/90/89/553789089.db2.gz QNNDGHMSXOXADG-XMMPIXPASA-N 0 3 527.459 5.242 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024115951 553789093 /nfs/dbraw/zinc/78/90/93/553789093.db2.gz QNNDGHMSXOXADG-XMMPIXPASA-N 0 3 527.459 5.242 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000097951653 553810510 /nfs/dbraw/zinc/81/05/10/553810510.db2.gz SDAHOZCDVXVMJW-SSEXGKCCSA-N 0 3 542.676 6.352 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000097952155 553813462 /nfs/dbraw/zinc/81/34/62/553813462.db2.gz HNYGVFNSMCPWFM-NHKHRBQYSA-N 0 3 543.620 6.385 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000097952466 553816066 /nfs/dbraw/zinc/81/60/66/553816066.db2.gz QHFVXBMLQOYEHQ-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000097952465 553816069 /nfs/dbraw/zinc/81/60/69/553816069.db2.gz QHFVXBMLQOYEHQ-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097966949 553912276 /nfs/dbraw/zinc/91/22/76/553912276.db2.gz AQSWVTXNAPCWGS-SSEXGKCCSA-N 0 3 558.675 5.511 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000097967026 553913146 /nfs/dbraw/zinc/91/31/46/553913146.db2.gz HXQYBGIACPNNMD-MGBGTMOVSA-N 0 3 576.693 6.896 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Br)c1 ZINC000097967052 553913503 /nfs/dbraw/zinc/91/35/03/553913503.db2.gz KZBZYCNYVIPBJF-MHZLTWQESA-N 0 3 563.492 5.867 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097967168 553914806 /nfs/dbraw/zinc/91/48/06/553914806.db2.gz NOFYXFBKCKRHOM-MHZLTWQESA-N 0 3 553.486 6.411 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000097967229 553915304 /nfs/dbraw/zinc/91/53/04/553915304.db2.gz OEMNEIBEDHJJEO-SSEXGKCCSA-N 0 3 558.675 5.598 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000097967229 553915306 /nfs/dbraw/zinc/91/53/06/553915306.db2.gz OEMNEIBEDHJJEO-SSEXGKCCSA-N 0 3 558.675 5.598 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967711 553922332 /nfs/dbraw/zinc/92/23/32/553922332.db2.gz NBKQWHQSKVPCSI-RCRUUEGKSA-N 0 3 573.690 5.699 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097968475 553932799 /nfs/dbraw/zinc/93/27/99/553932799.db2.gz SYLMTKYCZYZGCU-RUZDIDTESA-N 0 3 543.502 5.857 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097968475 553932800 /nfs/dbraw/zinc/93/28/00/553932800.db2.gz SYLMTKYCZYZGCU-RUZDIDTESA-N 0 3 543.502 5.857 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097969015 553935936 /nfs/dbraw/zinc/93/59/36/553935936.db2.gz RXHWHNDZUNTURO-KCWXNJEJSA-N 0 3 550.696 5.508 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970685 553957514 /nfs/dbraw/zinc/95/75/14/553957514.db2.gz GHPPAQVVACKCTE-UVDDSOTQSA-N 0 3 579.653 5.463 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097971009 553960306 /nfs/dbraw/zinc/96/03/06/553960306.db2.gz CRQAANBNMAUONN-HKBQPEDESA-N 0 3 554.731 6.792 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097971009 553960307 /nfs/dbraw/zinc/96/03/07/553960307.db2.gz CRQAANBNMAUONN-HKBQPEDESA-N 0 3 554.731 6.792 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097973635 553968326 /nfs/dbraw/zinc/96/83/26/553968326.db2.gz MECWEBCHRKVTNV-RLWDVSNXSA-N 0 3 771.852 7.176 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097974526 553968543 /nfs/dbraw/zinc/96/85/43/553968543.db2.gz UVUOJOLPNDCIHL-XKZJCBTISA-N 0 3 760.825 6.136 50 30 KKEAHN CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864675 554022080 /nfs/dbraw/zinc/02/20/80/554022080.db2.gz VAEZLCHCFUMAGF-NLAXLNGZSA-N 0 3 500.595 6.167 50 30 KKEAHN CN(C)[C@@H](CNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N)c1ccc(C(C)(C)C)cc1 ZINC000035671317 554062361 /nfs/dbraw/zinc/06/23/61/554062361.db2.gz JLVLDGYFPUHDJU-NDEPHWFRSA-N 0 3 529.084 7.458 50 30 KKEAHN C=CCC[C@H](O)CN(CCCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842633 554081338 /nfs/dbraw/zinc/08/13/38/554081338.db2.gz INVIRZAIWDXPGK-LJAQVGFWSA-N 0 3 517.758 6.466 50 30 KKEAHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncc(C#N)c2Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000098209625 554177122 /nfs/dbraw/zinc/17/71/22/554177122.db2.gz YCLIWTLPTXAGPQ-UHFFFAOYSA-N 0 3 530.456 5.190 50 30 in-vitro KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21 ZINC000100144917 554230327 /nfs/dbraw/zinc/23/03/27/554230327.db2.gz IQMKPBFOEWWDIQ-BZXROKRSSA-N 0 3 594.625 7.205 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cc1ccccc1 ZINC000059641019 554416842 /nfs/dbraw/zinc/41/68/42/554416842.db2.gz XCWFZTLPZAUNTK-UHFFFAOYSA-N 0 3 547.706 7.170 50 30 KKEAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000101125935 554645221 /nfs/dbraw/zinc/64/52/21/554645221.db2.gz RVQGPYWMGTXOPQ-SMIHKQSGSA-N 0 3 504.011 5.512 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000101304200 554713957 /nfs/dbraw/zinc/71/39/57/554713957.db2.gz WRYAGOKYPGUGFF-ILETTZGHSA-N 0 3 533.548 5.057 50 30 KKEAHN C=CCn1cc(C(=O)NCCCN(CCCC)Cc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000101417753 554766444 /nfs/dbraw/zinc/76/64/44/554766444.db2.gz TXJHGNHUIJUVFS-UHFFFAOYSA-N 0 3 592.806 5.174 50 30 KKEAHN CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000102096937 554879770 /nfs/dbraw/zinc/87/97/70/554879770.db2.gz IUNKPUUJZYOVBE-UFHPHHKVSA-N 0 3 580.588 7.877 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102168883 554890668 /nfs/dbraw/zinc/89/06/68/554890668.db2.gz QCINIONBMLTQJK-ONQGDUAMSA-N 0 3 506.687 5.701 50 30 KKEAHN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000102410192 554923364 /nfs/dbraw/zinc/92/33/64/554923364.db2.gz QAPNYHBINDYFKN-UHFFFAOYSA-N 0 3 567.781 8.463 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102561162 554967837 /nfs/dbraw/zinc/96/78/37/554967837.db2.gz RWAICWREIPEQFD-QOISPNJLSA-N 0 3 573.690 5.542 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102697129 555011911 /nfs/dbraw/zinc/01/19/11/555011911.db2.gz VDCRYPIRFCOPKV-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102700419 555012907 /nfs/dbraw/zinc/01/29/07/555012907.db2.gz NYPCHYYKOQRSJG-WGGXKBPPSA-N 0 3 526.677 5.855 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000102862251 555092145 /nfs/dbraw/zinc/09/21/45/555092145.db2.gz ZUISLRHBEHGXKF-YTFSRNRJSA-N 0 3 534.981 5.111 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102863073 555092926 /nfs/dbraw/zinc/09/29/26/555092926.db2.gz SREFVLCPULPRIF-TXTDGAROSA-N 0 3 543.620 5.246 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102868554 555097924 /nfs/dbraw/zinc/09/79/24/555097924.db2.gz JKDKXOHPUDDMIF-NHKHRBQYSA-N 0 3 567.513 7.784 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102881220 555109795 /nfs/dbraw/zinc/10/97/95/555109795.db2.gz TXJVYEKXZXKWBV-TXTDGAROSA-N 0 3 520.714 6.091 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102881220 555109798 /nfs/dbraw/zinc/10/97/98/555109798.db2.gz TXJVYEKXZXKWBV-TXTDGAROSA-N 0 3 520.714 6.091 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102882136 555110437 /nfs/dbraw/zinc/11/04/37/555110437.db2.gz WKUIIWODISIDBP-VEZPTTSMSA-N 0 3 588.701 5.363 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102894050 555131974 /nfs/dbraw/zinc/13/19/74/555131974.db2.gz OOJUSOSFNQABBB-ZORLYMSLSA-N 0 3 578.750 8.506 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896556 555136653 /nfs/dbraw/zinc/13/66/53/555136653.db2.gz NFRFIHANKJLNQM-QZDFLZESSA-N 0 3 579.653 5.306 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102930373 555157000 /nfs/dbraw/zinc/15/70/00/555157000.db2.gz DTPSIPVUOZKTLF-QOISPNJLSA-N 0 3 564.723 5.741 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000143275383 571456379 /nfs/dbraw/zinc/45/63/79/571456379.db2.gz ZUISLRHBEHGXKF-XPWALMASSA-N 0 3 534.981 5.111 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150348984 571461378 /nfs/dbraw/zinc/46/13/78/571461378.db2.gz WNWUMIPFLOKTEZ-MNVCMFJRSA-N 0 3 801.878 6.801 50 30 KKEAHN CCOc1ccc([C@H]2N=C(N)NC(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@@H](c6ccc(OCC)cc6)N=C(N)N5)cc4C#N)c(C#N)c3)=N2)cc1 ZINC000150426836 571491172 /nfs/dbraw/zinc/49/11/72/571491172.db2.gz QZIVELCTIVYNQV-BCRBLDSWSA-N 0 3 828.985 5.107 50 30 KKEAHN CC(C)CN(C[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249399 572257161 /nfs/dbraw/zinc/25/71/61/572257161.db2.gz RUIYJHFRUHGXNR-IGKIAQTJSA-N 0 3 580.588 7.877 50 30 KKEAHN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000252428223 572260461 /nfs/dbraw/zinc/26/04/61/572260461.db2.gz VAEZLCHCFUMAGF-JRTXCKPNSA-N 0 3 500.595 6.167 50 30 KKEAHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)N(C/C=C/c2ccccc2)C1 ZINC000299789419 1071049311 /nfs/dbraw/zinc/04/93/11/1071049311.db2.gz ZXFXMSZQLSESPK-BMVJRHACSA-N 0 3 567.730 5.099 50 30 KKEAHN C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccnc2ccccc21 ZINC000245237562 1071254125 /nfs/dbraw/zinc/25/41/25/1071254125.db2.gz NPMIODMZVRTOMZ-QNPATHGVSA-N 0 3 555.143 7.975 50 30 KKEAHN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2c3c(c(OC)c4c2CCN(C)C4)OCO3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596473 1071283855 /nfs/dbraw/zinc/28/38/55/1071283855.db2.gz VLGWVBZUDGGYMY-VTIRTNGLSA-N 0 3 765.212 5.022 50 30 KKEAHN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)C(C(C)C)S2)cc1Cl ZINC000002060075 551741990 /nfs/dbraw/zinc/74/19/90/551741990.db2.gz YMWNIHGZLVVQFU-BTSCWMHGSA-N 0 3 516.044 5.147 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000008738439 553130801 /nfs/dbraw/zinc/13/08/01/553130801.db2.gz CXQBUGAFUQKEPR-MHZLTWQESA-N 0 3 519.041 5.757 50 30 KKEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000008818107 553153374 /nfs/dbraw/zinc/15/33/74/553153374.db2.gz XMMOLXFKQIPVGP-QHCPKHFHSA-N 0 3 513.425 5.018 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000008922448 553190354 /nfs/dbraw/zinc/19/03/54/553190354.db2.gz BNKMIUICSYRHSS-HHHXNRCGSA-N 0 3 500.595 5.326 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000008996220 553197254 /nfs/dbraw/zinc/19/72/54/553197254.db2.gz YRLVPKFETQGISU-MHZLTWQESA-N 0 3 502.586 5.243 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000009045210 553203267 /nfs/dbraw/zinc/20/32/67/553203267.db2.gz XLEHWOBBEISREA-GDLZYMKVSA-N 0 3 528.649 5.962 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000009068002 553206638 /nfs/dbraw/zinc/20/66/38/553206638.db2.gz AFKJEEFKSAJYSM-HHHXNRCGSA-N 0 3 506.687 5.857 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccs1 ZINC000009240679 553226119 /nfs/dbraw/zinc/22/61/19/553226119.db2.gz QGHIXJLMQFQVRN-CJJGVWJISA-N 0 3 504.652 5.399 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009240896 553226309 /nfs/dbraw/zinc/22/63/09/553226309.db2.gz MVKJIAFWNISSOO-IUKMQXEJSA-N 0 3 533.496 6.100 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009240896 553226312 /nfs/dbraw/zinc/22/63/12/553226312.db2.gz MVKJIAFWNISSOO-IUKMQXEJSA-N 0 3 533.496 6.100 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009243620 553226919 /nfs/dbraw/zinc/22/69/19/553226919.db2.gz XHEKQTBLFZMCSN-LJAQVGFWSA-N 0 3 512.650 5.837 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009301978 553236183 /nfs/dbraw/zinc/23/61/83/553236183.db2.gz MRZZGKUJIWVJJF-MHZLTWQESA-N 0 3 524.658 5.111 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000009312149 553240084 /nfs/dbraw/zinc/24/00/84/553240084.db2.gz WODUIAFRVXGJRR-QHCPKHFHSA-N 0 3 515.448 5.075 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000009312150 553240120 /nfs/dbraw/zinc/24/01/20/553240120.db2.gz WODUIAFRVXGJRR-HSZRJFAPSA-N 0 3 515.448 5.075 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009438869 553264795 /nfs/dbraw/zinc/26/47/95/553264795.db2.gz ITCKMDHIOCYARI-QHCPKHFHSA-N 0 3 505.442 5.558 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020130898 553591360 /nfs/dbraw/zinc/59/13/60/553591360.db2.gz IXRHDEMGWQUJKR-NDEPHWFRSA-N 0 3 514.622 5.716 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020130898 553591363 /nfs/dbraw/zinc/59/13/63/553591363.db2.gz IXRHDEMGWQUJKR-NDEPHWFRSA-N 0 3 514.622 5.716 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)cc1 ZINC000020193127 553606127 /nfs/dbraw/zinc/60/61/27/553606127.db2.gz NCVXAIIWDCSYLD-GDLZYMKVSA-N 0 3 512.650 5.803 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)cc1 ZINC000020193127 553606130 /nfs/dbraw/zinc/60/61/30/553606130.db2.gz NCVXAIIWDCSYLD-GDLZYMKVSA-N 0 3 512.650 5.803 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020290279 553634904 /nfs/dbraw/zinc/63/49/04/553634904.db2.gz XNBYBBZLBZLBOC-PIIWDFAUSA-N 0 3 536.669 5.118 50 30 KKEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020324000 553638210 /nfs/dbraw/zinc/63/82/10/553638210.db2.gz HUFNZDCZPTYODW-HRFSGMKKSA-N 0 3 506.643 5.109 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020357446 553642281 /nfs/dbraw/zinc/64/22/81/553642281.db2.gz KGRAIYFOPDDGTL-LYZGTLIUSA-N 0 3 520.670 5.355 50 30 KKEAHN COC(=O)c1csc(CN2C[C@@H](c3ccc(C#N)cc3)[C@]3(C2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N3C)c1 ZINC000072319860 553647447 /nfs/dbraw/zinc/64/74/47/553647447.db2.gz KXCYDMXTQWOBSX-WNCULLNHSA-N 0 3 569.470 5.150 50 30 in-vitro KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccs1 ZINC000020065367 553675305 /nfs/dbraw/zinc/67/53/05/553675305.db2.gz QKWLJBVDQKSNNY-SANMLTNESA-N 0 3 504.652 5.556 50 30 KKEAHN CN1CCc2nc(SCC(=O)Nc3ccccc3OC(F)(F)F)c(C#N)c(-c3ccsc3)c2C1 ZINC000020065199 553675343 /nfs/dbraw/zinc/67/53/43/553675343.db2.gz RVYXRXODCXGZNL-UHFFFAOYSA-N 0 3 504.559 5.299 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020064845 553675365 /nfs/dbraw/zinc/67/53/65/553675365.db2.gz WTSPYYYZHUSJLG-RUZDIDTESA-N 0 3 533.496 6.257 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020064845 553675369 /nfs/dbraw/zinc/67/53/69/553675369.db2.gz WTSPYYYZHUSJLG-RUZDIDTESA-N 0 3 533.496 6.257 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000020081310 553680212 /nfs/dbraw/zinc/68/02/12/553680212.db2.gz ZPYXQXVUVNTNMW-NDEPHWFRSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000020081310 553680214 /nfs/dbraw/zinc/68/02/14/553680214.db2.gz ZPYXQXVUVNTNMW-NDEPHWFRSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000020081759 553680724 /nfs/dbraw/zinc/68/07/24/553680724.db2.gz MYUSLYCFSMBHGU-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000020081759 553680726 /nfs/dbraw/zinc/68/07/26/553680726.db2.gz MYUSLYCFSMBHGU-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020082209 553680980 /nfs/dbraw/zinc/68/09/80/553680980.db2.gz KYCXJKNZBBNZLU-LJAQVGFWSA-N 0 3 512.650 5.666 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020101182 553687050 /nfs/dbraw/zinc/68/70/50/553687050.db2.gz HNXMXTSQQVVODE-NDEPHWFRSA-N 0 3 520.714 6.247 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020101182 553687052 /nfs/dbraw/zinc/68/70/52/553687052.db2.gz HNXMXTSQQVVODE-NDEPHWFRSA-N 0 3 520.714 6.247 50 30 KKEAHN N#Cc1cccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000096292493 553746455 /nfs/dbraw/zinc/74/64/55/553746455.db2.gz DIRSWRVKCMHOQR-MHZLTWQESA-N 0 3 529.059 6.088 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080620 553788527 /nfs/dbraw/zinc/78/85/27/553788527.db2.gz YPEFDTUNOPYXDO-QHCPKHFHSA-N 0 3 515.448 5.076 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116157 553789121 /nfs/dbraw/zinc/78/91/21/553789121.db2.gz BCFYXXORRBQKAM-HHHXNRCGSA-N 0 3 504.671 5.777 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116157 553789124 /nfs/dbraw/zinc/78/91/24/553789124.db2.gz BCFYXXORRBQKAM-HHHXNRCGSA-N 0 3 504.671 5.777 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097953018 553818914 /nfs/dbraw/zinc/81/89/14/553818914.db2.gz YXTICQBOAYROHJ-SSEXGKCCSA-N 0 3 542.676 6.352 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954036 553821055 /nfs/dbraw/zinc/82/10/55/553821055.db2.gz PSQLVCJZVIULCP-CHJDUVSTSA-N 0 3 540.660 5.509 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000097954036 553821056 /nfs/dbraw/zinc/82/10/56/553821056.db2.gz PSQLVCJZVIULCP-CHJDUVSTSA-N 0 3 540.660 5.509 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967710 553922282 /nfs/dbraw/zinc/92/22/82/553922282.db2.gz NBKQWHQSKVPCSI-YKGWIAGDSA-N 0 3 573.690 5.699 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000097969846 553946026 /nfs/dbraw/zinc/94/60/26/553946026.db2.gz ZNQCJUQMDVAOIW-URAOTHONSA-N 0 3 556.659 5.128 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000097970402 553953796 /nfs/dbraw/zinc/95/37/96/553953796.db2.gz MIIJUHFTIFTBKB-JPQMRUPTSA-N 0 3 584.713 5.908 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970687 553957462 /nfs/dbraw/zinc/95/74/62/553957462.db2.gz GHPPAQVVACKCTE-JPZYQRIQSA-N 0 3 579.653 5.463 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097974370 553968493 /nfs/dbraw/zinc/96/84/93/553968493.db2.gz ZGJUDTLSWZPIDW-MVFNBKNKSA-N 0 3 730.799 6.511 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097973641 553968526 /nfs/dbraw/zinc/96/85/26/553968526.db2.gz CNFKJHKDSRXNFL-UTXREMQHSA-N 0 3 789.842 7.124 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(Br)c1 ZINC000053319135 554336280 /nfs/dbraw/zinc/33/62/80/554336280.db2.gz QLGIUKWEGBSAQJ-JOCHJYFZSA-N 0 3 527.415 5.124 50 30 KKEAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101328834 554729969 /nfs/dbraw/zinc/72/99/69/554729969.db2.gz FFPOVNUQNUBRQW-PSVUBMJASA-N 0 3 537.967 5.701 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102170034 554891140 /nfs/dbraw/zinc/89/11/40/554891140.db2.gz BCENWSRQUXAOLB-AYWGPLOBSA-N 0 3 505.442 5.402 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000102175140 554891674 /nfs/dbraw/zinc/89/16/74/554891674.db2.gz PSVPMYHBOMDWAZ-SBXHHDGASA-N 0 3 519.469 5.710 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102488436 554938830 /nfs/dbraw/zinc/93/88/30/554938830.db2.gz QSSORWTUZKAMGG-DFXXOVSGSA-N 0 3 543.620 5.246 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102498381 554941537 /nfs/dbraw/zinc/94/15/37/554941537.db2.gz QNBXSOUWAQOUPZ-QMMFTLRZSA-N 0 3 542.676 5.736 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102498381 554941539 /nfs/dbraw/zinc/94/15/39/554941539.db2.gz QNBXSOUWAQOUPZ-QMMFTLRZSA-N 0 3 542.676 5.736 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000102506974 554944843 /nfs/dbraw/zinc/94/48/43/554944843.db2.gz IAUAUWIUARIGDX-ONQGDUAMSA-N 0 3 563.492 5.710 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000102520002 554949382 /nfs/dbraw/zinc/94/93/82/554949382.db2.gz QGOHNTPJBJJKHG-CFQDGGCTSA-N 0 3 576.693 6.740 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)C1c1ccccc1[N+](=O)[O-] ZINC000102521364 554949709 /nfs/dbraw/zinc/94/97/09/554949709.db2.gz LCEABNNGCDGOOQ-QMMFTLRZSA-N 0 3 627.620 9.260 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102525623 554951829 /nfs/dbraw/zinc/95/18/29/554951829.db2.gz QLRPWAUDTVALBC-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102525623 554951832 /nfs/dbraw/zinc/95/18/32/554951832.db2.gz QLRPWAUDTVALBC-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000102538910 554956538 /nfs/dbraw/zinc/95/65/38/554956538.db2.gz JTUARUKFNABEPC-SZYGQJGOSA-N 0 3 562.666 6.350 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102547099 554959606 /nfs/dbraw/zinc/95/96/06/554959606.db2.gz RENVDOXSGFSTRX-QMMFTLRZSA-N 0 3 583.169 9.151 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102652789 554996814 /nfs/dbraw/zinc/99/68/14/554996814.db2.gz XINQQCBPBZFJNY-ZCCBWQDPSA-N 0 3 593.680 5.696 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102690666 555008270 /nfs/dbraw/zinc/00/82/70/555008270.db2.gz ZOEQREZWROBEOD-DFXXOVSGSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102690666 555008273 /nfs/dbraw/zinc/00/82/73/555008273.db2.gz ZOEQREZWROBEOD-DFXXOVSGSA-N 0 3 533.068 5.991 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102695825 555011101 /nfs/dbraw/zinc/01/11/01/555011101.db2.gz GKECRODLVFRABR-UUALVTFQSA-N 0 3 519.041 5.601 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102697126 555011935 /nfs/dbraw/zinc/01/19/35/555011935.db2.gz VDCRYPIRFCOPKV-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102703232 555013316 /nfs/dbraw/zinc/01/33/16/555013316.db2.gz YEMCPKHBKDMODX-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000102732161 555024039 /nfs/dbraw/zinc/02/40/39/555024039.db2.gz HNGHQQQEYCRKRQ-TXTDGAROSA-N 0 3 514.622 5.043 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000102732161 555024040 /nfs/dbraw/zinc/02/40/40/555024040.db2.gz HNGHQQQEYCRKRQ-TXTDGAROSA-N 0 3 514.622 5.043 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000102878292 555107531 /nfs/dbraw/zinc/10/75/31/555107531.db2.gz NMSQRINPWNGCEN-DFXXOVSGSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000102878292 555107533 /nfs/dbraw/zinc/10/75/33/555107533.db2.gz NMSQRINPWNGCEN-DFXXOVSGSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccs1 ZINC000102878939 555108129 /nfs/dbraw/zinc/10/81/29/555108129.db2.gz YUWNJVDFDNXSJJ-CJJGVWJISA-N 0 3 504.652 5.399 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102883331 555111703 /nfs/dbraw/zinc/11/17/03/555111703.db2.gz MXBJBVVZHLTTRH-MIOXIQPJSA-N 0 3 526.677 5.855 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000102887554 555119556 /nfs/dbraw/zinc/11/95/56/555119556.db2.gz MUPNEXMLSDCSTK-FFMCZVIESA-N 0 3 570.686 5.361 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000102893620 555131363 /nfs/dbraw/zinc/13/13/63/555131363.db2.gz HRJILUSBJGYUSW-ZCCBWQDPSA-N 0 3 584.713 5.751 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102928133 555153168 /nfs/dbraw/zinc/15/31/68/555153168.db2.gz IVGQNBKUWRCEAL-ONQGDUAMSA-N 0 3 524.658 5.042 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102930376 555157037 /nfs/dbraw/zinc/15/70/37/555157037.db2.gz DTPSIPVUOZKTLF-FCLPXNLHSA-N 0 3 564.723 5.741 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102930380 555157054 /nfs/dbraw/zinc/15/70/54/555157054.db2.gz DTPSIPVUOZKTLF-YELMDPSYSA-N 0 3 564.723 5.741 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000102996057 555195499 /nfs/dbraw/zinc/19/54/99/555195499.db2.gz KBIGMKAAQCFSKS-PMERELPUSA-N 0 3 509.760 5.816 50 30 KKEAHN CCCCCCCCCCCC(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000102999877 555199770 /nfs/dbraw/zinc/19/97/70/555199770.db2.gz AYVSAFKWORKBFJ-MGBGTMOVSA-N 0 3 551.841 7.068 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)c(Cl)c3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)c(Cl)c3)N=C(N)N2)cc1C#N ZINC000150425827 571490093 /nfs/dbraw/zinc/49/00/93/571490093.db2.gz JAPHFTXDOPPGAH-CZNDPXEESA-N 0 3 878.659 6.923 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000169681592 571557556 /nfs/dbraw/zinc/55/75/56/571557556.db2.gz BGSCYCIUWSYCGQ-QABMSTFYSA-N 0 3 509.760 5.896 50 30 KKEAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000170620712 571562677 /nfs/dbraw/zinc/56/26/77/571562677.db2.gz RVQGPYWMGTXOPQ-WXFUMESZSA-N 0 3 504.011 5.512 50 30 KKEAHN CCOc1cc(C=NN2CCN([C@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)ccc1OCCN(C)C ZINC000252589686 572266500 /nfs/dbraw/zinc/26/65/00/572266500.db2.gz AMRCWBAVGJPADL-MHZLTWQESA-N 0 3 565.183 6.079 50 30 KKEAHN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NN=C2NC(=O)C(C(C)C)S2)cc1Cl ZINC000252639700 572272268 /nfs/dbraw/zinc/27/22/68/572272268.db2.gz YMWNIHGZLVVQFU-QFIPXVFZSA-N 0 3 516.044 5.147 50 30 KKEAHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)N(Cc2ccccc2)C1 ZINC000299763435 1071048788 /nfs/dbraw/zinc/04/87/88/1071048788.db2.gz VMJIDKBPCGWKHD-DGPALRBDSA-N 0 3 578.679 5.352 50 30 KKEAHN CN(C)c1ccc(/C=N/C2=C(N3CCN(C4=C(/N=C/c5ccc(N(C)C)cc5)C(=O)CC(C)(C)C4)CC3)CC(C)(C)CC2=O)cc1 ZINC000008431195 553022699 /nfs/dbraw/zinc/02/26/99/553022699.db2.gz AVTSXQOYQSYOAN-YXTVXKGXSA-N 0 3 622.858 6.176 50 30 KKEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000008817226 553152626 /nfs/dbraw/zinc/15/26/26/553152626.db2.gz QRFGWJVPPAWHIN-SANMLTNESA-N 0 3 500.643 5.008 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000009065384 553205931 /nfs/dbraw/zinc/20/59/31/553205931.db2.gz BJHQCUOWCUHJRY-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009135689 553213439 /nfs/dbraw/zinc/21/34/39/553213439.db2.gz KATBLFBQKURWFP-MUUNZHRXSA-N 0 3 520.714 6.392 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009135689 553213440 /nfs/dbraw/zinc/21/34/40/553213440.db2.gz KATBLFBQKURWFP-MUUNZHRXSA-N 0 3 520.714 6.392 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000009270989 553230419 /nfs/dbraw/zinc/23/04/19/553230419.db2.gz YDZXAQGOQLULMY-XMMPIXPASA-N 0 3 529.475 5.322 50 30 KKEAHN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000009270705 553230542 /nfs/dbraw/zinc/23/05/42/553230542.db2.gz NEOJXYKRCCDMCR-HSZRJFAPSA-N 0 3 515.448 5.075 50 30 KKEAHN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000009270705 553230543 /nfs/dbraw/zinc/23/05/43/553230543.db2.gz NEOJXYKRCCDMCR-HSZRJFAPSA-N 0 3 515.448 5.075 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000009271335 553230700 /nfs/dbraw/zinc/23/07/00/553230700.db2.gz NDVARFVTTNBHJQ-NRFANRHFSA-N 0 3 521.839 5.031 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009271668 553231230 /nfs/dbraw/zinc/23/12/30/553231230.db2.gz OTHIOFGYFKKNRE-MHZLTWQESA-N 0 3 524.658 5.111 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000009301889 553236237 /nfs/dbraw/zinc/23/62/37/553236237.db2.gz KMFBRSLGWWAKHS-HHHXNRCGSA-N 0 3 519.041 5.757 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000013562991 553472027 /nfs/dbraw/zinc/47/20/27/553472027.db2.gz XVWLRNGMHZZSKC-MHZLTWQESA-N 0 3 500.595 5.326 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000016734104 553578246 /nfs/dbraw/zinc/57/82/46/553578246.db2.gz GLEHLYVGHAVGQI-NGOKVRLYSA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000020229590 553616816 /nfs/dbraw/zinc/61/68/16/553616816.db2.gz ASDMTGJLTMUNNO-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000020229590 553616817 /nfs/dbraw/zinc/61/68/17/553616817.db2.gz ASDMTGJLTMUNNO-MUUNZHRXSA-N 0 3 533.068 6.148 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230100 553617144 /nfs/dbraw/zinc/61/71/44/553617144.db2.gz KQUITVZBGFOQLS-XMMPIXPASA-N 0 3 501.023 5.058 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230100 553617148 /nfs/dbraw/zinc/61/71/48/553617148.db2.gz KQUITVZBGFOQLS-XMMPIXPASA-N 0 3 501.023 5.058 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccs1 ZINC000020231200 553617442 /nfs/dbraw/zinc/61/74/42/553617442.db2.gz FRGMSUVGTRCGAW-AREMUKBSSA-N 0 3 504.652 5.556 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020231108 553617543 /nfs/dbraw/zinc/61/75/43/553617543.db2.gz RSJMXSOULHMWDP-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020231108 553617546 /nfs/dbraw/zinc/61/75/46/553617546.db2.gz RSJMXSOULHMWDP-NDEPHWFRSA-N 0 3 516.613 5.633 50 30 KKEAHN CN1CCc2nc(SCC(=O)Nc3ccccc3OC(F)(F)F)c(C#N)c(-c3cccs3)c2C1 ZINC000019852671 553624133 /nfs/dbraw/zinc/62/41/33/553624133.db2.gz GJLFLVPYTIWFLF-UHFFFAOYSA-N 0 3 504.559 5.299 50 30 KKEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020323988 553638237 /nfs/dbraw/zinc/63/82/37/553638237.db2.gz HUFNZDCZPTYODW-DCFHFQCYSA-N 0 3 506.643 5.109 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020393713 553645368 /nfs/dbraw/zinc/64/53/68/553645368.db2.gz PZJKVNCLGUWPGI-QHCPKHFHSA-N 0 3 505.442 5.701 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020518389 553668810 /nfs/dbraw/zinc/66/88/10/553668810.db2.gz YNNHJFSZFGATNL-MMTVBGGISA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020065765 553675649 /nfs/dbraw/zinc/67/56/49/553675649.db2.gz AAXBXHZDSPFUNY-MUUNZHRXSA-N 0 3 520.714 6.247 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020065765 553675651 /nfs/dbraw/zinc/67/56/51/553675651.db2.gz AAXBXHZDSPFUNY-MUUNZHRXSA-N 0 3 520.714 6.247 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020080167 553678089 /nfs/dbraw/zinc/67/80/89/553678089.db2.gz JIIKPYZBYRTLIR-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020080167 553678091 /nfs/dbraw/zinc/67/80/91/553678091.db2.gz JIIKPYZBYRTLIR-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 ZINC000020609746 553678384 /nfs/dbraw/zinc/67/83/84/553678384.db2.gz IETVWEAXJASMJR-LRAHCTDQSA-N 0 3 519.129 6.361 50 30 biogenic KKEAHN CCOc1cc(/C=N/N2CCN([C@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)ccc1OCCN(C)C ZINC000097944324 553769379 /nfs/dbraw/zinc/76/93/79/553769379.db2.gz AMRCWBAVGJPADL-WEZIBTLSSA-N 0 3 565.183 6.079 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024080670 553788516 /nfs/dbraw/zinc/78/85/16/553788516.db2.gz GHXBTAVFANGKLU-HSZRJFAPSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024080985 553788811 /nfs/dbraw/zinc/78/88/11/553788811.db2.gz WTNBJSOZIKWUKK-GDLZYMKVSA-N 0 3 528.649 6.106 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000024080985 553788812 /nfs/dbraw/zinc/78/88/12/553788812.db2.gz WTNBJSOZIKWUKK-GDLZYMKVSA-N 0 3 528.649 6.106 50 30 KKEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000024116240 553789020 /nfs/dbraw/zinc/78/90/20/553789020.db2.gz BFCQSMJGXRPFGN-HHHXNRCGSA-N 0 3 504.627 5.045 50 30 KKEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000024116240 553789022 /nfs/dbraw/zinc/78/90/22/553789022.db2.gz BFCQSMJGXRPFGN-HHHXNRCGSA-N 0 3 504.627 5.045 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000024081443 553789114 /nfs/dbraw/zinc/78/91/14/553789114.db2.gz WYWOLRCTHXECBE-GDLZYMKVSA-N 0 3 526.633 5.882 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081418 553789177 /nfs/dbraw/zinc/78/91/77/553789177.db2.gz BYCZJOZITKBBHL-DEOSSOPVSA-N 0 3 527.459 5.242 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081418 553789179 /nfs/dbraw/zinc/78/91/79/553789179.db2.gz BYCZJOZITKBBHL-DEOSSOPVSA-N 0 3 527.459 5.242 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097967111 553913882 /nfs/dbraw/zinc/91/38/82/553913882.db2.gz CYOZLAVJWUDNRQ-WJOKGBTCSA-N 0 3 556.703 6.742 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097967111 553913886 /nfs/dbraw/zinc/91/38/86/553913886.db2.gz CYOZLAVJWUDNRQ-WJOKGBTCSA-N 0 3 556.703 6.742 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967709 553922236 /nfs/dbraw/zinc/92/22/36/553922236.db2.gz NBKQWHQSKVPCSI-CHJDUVSTSA-N 0 3 573.690 5.699 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097968999 553935593 /nfs/dbraw/zinc/93/55/93/553935593.db2.gz HWMFZFKWZUAYTD-PMERELPUSA-N 0 3 558.675 5.511 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000097969508 553941902 /nfs/dbraw/zinc/94/19/02/553941902.db2.gz MSUIHJLXHPCUHQ-SMSORMJASA-N 0 3 564.723 5.754 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097969523 553941977 /nfs/dbraw/zinc/94/19/77/553941977.db2.gz PDYGNIITUIKPGV-HKBQPEDESA-N 0 3 572.702 5.901 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097969523 553941980 /nfs/dbraw/zinc/94/19/80/553941980.db2.gz PDYGNIITUIKPGV-HKBQPEDESA-N 0 3 572.702 5.901 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097970999 553960288 /nfs/dbraw/zinc/96/02/88/553960288.db2.gz QXWYIWSXXXSXJZ-CHJDUVSTSA-N 0 3 564.723 5.898 50 30 KKEAHN COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000097974531 553968578 /nfs/dbraw/zinc/96/85/78/553968578.db2.gz UNOTXUFIWPRZJX-CEXSRUIHSA-N 0 3 744.826 6.820 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(Br)c1 ZINC000053319134 554336173 /nfs/dbraw/zinc/33/61/73/554336173.db2.gz QLGIUKWEGBSAQJ-QFIPXVFZSA-N 0 3 527.415 5.124 50 30 KKEAHN C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](N[C@H](C)c1ccccc1)C1=CCOC1=O ZINC000059102056 554378464 /nfs/dbraw/zinc/37/84/64/554378464.db2.gz JULIWOLIFLDVRD-OHATUYDSSA-N 0 3 537.697 5.463 50 30 biogenic KKEAHN CCCCCCCCCCCCOc1ccc(Br)cc1C(=O)NC(=N)NC1CCCCCCC1 ZINC000100697278 554451086 /nfs/dbraw/zinc/45/10/86/554451086.db2.gz GJMZGGHCXNNFRF-UHFFFAOYSA-N 0 3 536.599 8.116 50 30 KKEAHN CC(C)(C)c1ccc([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCC2)cc1 ZINC000101360446 554742276 /nfs/dbraw/zinc/74/22/76/554742276.db2.gz XEIORFOULVOWAL-SSEXGKCCSA-N 0 3 555.122 7.992 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Br)c1 ZINC000102169117 554890859 /nfs/dbraw/zinc/89/08/59/554890859.db2.gz XSTYVJNNFGKPBB-NXLSWJSLSA-N 0 3 529.475 5.166 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175489 554892293 /nfs/dbraw/zinc/89/22/93/554892293.db2.gz CVBNTNSUQSBGKA-MIOXIQPJSA-N 0 3 528.649 5.805 50 30 KKEAHN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000102225181 554899546 /nfs/dbraw/zinc/89/95/46/554899546.db2.gz JAXIFZBJYBJWNA-NRFANRHFSA-N 0 3 576.586 6.714 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102494683 554940337 /nfs/dbraw/zinc/94/03/37/554940337.db2.gz SNDNYGFXULUPKD-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102494683 554940340 /nfs/dbraw/zinc/94/03/40/554940340.db2.gz SNDNYGFXULUPKD-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102500880 554942873 /nfs/dbraw/zinc/94/28/73/554942873.db2.gz JOECEJDMJBREFF-TXTDGAROSA-N 0 3 543.620 5.246 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102502681 554943674 /nfs/dbraw/zinc/94/36/74/554943674.db2.gz MWARLKIFCDLEON-SBXHHDGASA-N 0 3 519.469 5.854 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102502674 554943784 /nfs/dbraw/zinc/94/37/84/554943784.db2.gz MWARLKIFCDLEON-NXLSWJSLSA-N 0 3 519.469 5.854 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102507003 554944946 /nfs/dbraw/zinc/94/49/46/554944946.db2.gz AJRIINFKTVJCCX-DFXXOVSGSA-N 0 3 514.622 5.559 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102507003 554944948 /nfs/dbraw/zinc/94/49/48/554944948.db2.gz AJRIINFKTVJCCX-DFXXOVSGSA-N 0 3 514.622 5.559 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000102508968 554945708 /nfs/dbraw/zinc/94/57/08/554945708.db2.gz GNPCLJMWOBLQAC-NXLSWJSLSA-N 0 3 529.475 5.310 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102511799 554946503 /nfs/dbraw/zinc/94/65/03/554946503.db2.gz CPIBWQVHGZSFER-VEZPTTSMSA-N 0 3 558.675 5.355 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102527461 554952521 /nfs/dbraw/zinc/95/25/21/554952521.db2.gz WVFCFHYPMBELKA-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530225 554953589 /nfs/dbraw/zinc/95/35/89/554953589.db2.gz MUXOSYLJUKLMIM-AHPONGEQSA-N 0 3 556.703 6.586 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530225 554953592 /nfs/dbraw/zinc/95/35/92/554953592.db2.gz MUXOSYLJUKLMIM-AHPONGEQSA-N 0 3 556.703 6.586 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000102542661 554958201 /nfs/dbraw/zinc/95/82/01/554958201.db2.gz ZMGKTKZJBNOEIR-MIOXIQPJSA-N 0 3 512.650 5.646 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000102542661 554958202 /nfs/dbraw/zinc/95/82/02/554958202.db2.gz ZMGKTKZJBNOEIR-MIOXIQPJSA-N 0 3 512.650 5.646 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102553433 554963178 /nfs/dbraw/zinc/96/31/78/554963178.db2.gz XINQQCBPBZFJNY-PLQDCEFPSA-N 0 3 593.680 5.696 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102690673 555008312 /nfs/dbraw/zinc/00/83/12/555008312.db2.gz ZOEQREZWROBEOD-TXTDGAROSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102690673 555008316 /nfs/dbraw/zinc/00/83/16/555008316.db2.gz ZOEQREZWROBEOD-TXTDGAROSA-N 0 3 533.068 5.991 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccccc3F)cc2)c1 ZINC000102721706 555020345 /nfs/dbraw/zinc/02/03/45/555020345.db2.gz OSYBVVMLYBFPEP-UUALVTFQSA-N 0 3 502.586 5.087 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000102722724 555020704 /nfs/dbraw/zinc/02/07/04/555020704.db2.gz FPNVPYRNFMOTNS-QMMFTLRZSA-N 0 3 526.677 5.900 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000102722724 555020706 /nfs/dbraw/zinc/02/07/06/555020706.db2.gz FPNVPYRNFMOTNS-QMMFTLRZSA-N 0 3 526.677 5.900 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102880617 555109581 /nfs/dbraw/zinc/10/95/81/555109581.db2.gz HWIVJZAKSPXJMJ-AHPONGEQSA-N 0 3 572.702 5.745 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102880617 555109584 /nfs/dbraw/zinc/10/95/84/555109584.db2.gz HWIVJZAKSPXJMJ-AHPONGEQSA-N 0 3 572.702 5.745 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102893305 555130611 /nfs/dbraw/zinc/13/06/11/555130611.db2.gz VZYUIMCQTCUOMX-QMMFTLRZSA-N 0 3 593.721 8.406 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000102893615 555131386 /nfs/dbraw/zinc/13/13/86/555131386.db2.gz HRJILUSBJGYUSW-PLQDCEFPSA-N 0 3 584.713 5.751 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102899777 555139648 /nfs/dbraw/zinc/13/96/48/555139648.db2.gz DEUHXVHJZIEMOY-VEZPTTSMSA-N 0 3 558.675 5.442 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000102912251 555142907 /nfs/dbraw/zinc/14/29/07/555142907.db2.gz ZEKGEUXQBBSNIS-XPWALMASSA-N 0 3 534.981 5.111 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925681 555149914 /nfs/dbraw/zinc/14/99/14/555149914.db2.gz SDIMZLRYNBVNSA-QOISPNJLSA-N 0 3 540.660 5.353 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102925681 555149916 /nfs/dbraw/zinc/14/99/16/555149916.db2.gz SDIMZLRYNBVNSA-QOISPNJLSA-N 0 3 540.660 5.353 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102926963 555151676 /nfs/dbraw/zinc/15/16/76/555151676.db2.gz JWXKYQSGGBSRNZ-TXTDGAROSA-N 0 3 567.513 6.644 50 30 KKEAHN CCCCCCCCC(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000102996023 555195449 /nfs/dbraw/zinc/19/54/49/555195449.db2.gz IOYBYRDGTTVLID-SSEXGKCCSA-N 0 3 509.760 5.897 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000102996159 555195730 /nfs/dbraw/zinc/19/57/30/555195730.db2.gz KELPGJRNJIWNQE-FKAPRUDGSA-N 0 3 523.787 6.204 50 30 KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000102996156 555195819 /nfs/dbraw/zinc/19/58/19/555195819.db2.gz BGSCYCIUWSYCGQ-HLADLETHSA-N 0 3 509.760 5.896 50 30 KKEAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1cc(C(F)(F)F)ccc1F ZINC000103178112 555328058 /nfs/dbraw/zinc/32/80/58/555328058.db2.gz VTWUXZWTCLNFFB-UHFFFAOYSA-N 0 3 578.532 6.962 50 30 KKEAHN COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CCN4C[C@@H]3CC(C)C)[C@H](CC(C)C)CN1CC2 ZINC000105260875 571392474 /nfs/dbraw/zinc/39/24/74/571392474.db2.gz ROCDXPADLYVOGR-HUMYSCSZSA-N 0 3 630.874 7.149 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccccc3Cl)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3Cl)N=C(N)N2)cc1C#N ZINC000150426279 571490576 /nfs/dbraw/zinc/49/05/76/571490576.db2.gz AGAUWDLUJMBRTQ-LQJZCPKCSA-N 0 3 809.769 5.616 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000000703216 551530911 /nfs/dbraw/zinc/53/09/11/551530911.db2.gz YGQUCWINLRGZHC-PBBNMVCDSA-N 0 3 550.696 5.364 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000008838035 553164794 /nfs/dbraw/zinc/16/47/94/553164794.db2.gz PCJNAVOPEDOKRW-HHHXNRCGSA-N 0 3 502.586 5.243 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000008903221 553182767 /nfs/dbraw/zinc/18/27/67/553182767.db2.gz ZWJYMYLFFOQPLO-XMMPIXPASA-N 0 3 529.475 5.322 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000008922446 553190231 /nfs/dbraw/zinc/19/02/31/553190231.db2.gz BNKMIUICSYRHSS-MHZLTWQESA-N 0 3 500.595 5.326 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000009065386 553205893 /nfs/dbraw/zinc/20/58/93/553205893.db2.gz BJHQCUOWCUHJRY-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000009184833 553216844 /nfs/dbraw/zinc/21/68/44/553216844.db2.gz DGUNORLKOJDWLM-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000009184833 553216846 /nfs/dbraw/zinc/21/68/46/553216846.db2.gz DGUNORLKOJDWLM-TXTDGAROSA-N 0 3 516.613 5.477 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009270908 553230505 /nfs/dbraw/zinc/23/05/05/553230505.db2.gz HYOQMWCBCQECSE-MHZLTWQESA-N 0 3 529.593 5.012 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1C ZINC000009273264 553232216 /nfs/dbraw/zinc/23/22/16/553232216.db2.gz UGEKGIORQJMUFD-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009312952 553240739 /nfs/dbraw/zinc/24/07/39/553240739.db2.gz PAVMNULEVWRBCP-ONOMSOESSA-N 0 3 526.633 5.119 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016733470 553578069 /nfs/dbraw/zinc/57/80/69/553578069.db2.gz RMNUFMWEEXCCFD-JOCHJYFZSA-N 0 3 525.860 5.966 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016733470 553578072 /nfs/dbraw/zinc/57/80/72/553578072.db2.gz RMNUFMWEEXCCFD-JOCHJYFZSA-N 0 3 525.860 5.966 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016742166 553580188 /nfs/dbraw/zinc/58/01/88/553580188.db2.gz RPMLSVQTDRRVFP-NDEPHWFRSA-N 0 3 510.590 6.145 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020130098 553591349 /nfs/dbraw/zinc/59/13/49/553591349.db2.gz HOHLABLIEHGWCF-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020130673 553591440 /nfs/dbraw/zinc/59/14/40/553591440.db2.gz DKWGRDPKKOOTRC-GDLZYMKVSA-N 0 3 512.650 5.666 50 30 KKEAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000018176589 553607181 /nfs/dbraw/zinc/60/71/81/553607181.db2.gz RVQGPYWMGTXOPQ-VXNXHJTFSA-N 0 3 504.011 5.512 50 30 KKEAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000018176589 553607182 /nfs/dbraw/zinc/60/71/82/553607182.db2.gz RVQGPYWMGTXOPQ-VXNXHJTFSA-N 0 3 504.011 5.512 50 30 KKEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020228299 553616325 /nfs/dbraw/zinc/61/63/25/553616325.db2.gz HHLZOMGEWUEZGC-AREMUKBSSA-N 0 3 520.651 5.044 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230098 553617034 /nfs/dbraw/zinc/61/70/34/553617034.db2.gz KQUITVZBGFOQLS-DEOSSOPVSA-N 0 3 501.023 5.058 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230098 553617035 /nfs/dbraw/zinc/61/70/35/553617035.db2.gz KQUITVZBGFOQLS-DEOSSOPVSA-N 0 3 501.023 5.058 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020232827 553618646 /nfs/dbraw/zinc/61/86/46/553618646.db2.gz JFGPXLGWIJFBKS-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020232827 553618650 /nfs/dbraw/zinc/61/86/50/553618650.db2.gz JFGPXLGWIJFBKS-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN C[C@@H](NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000019851541 553624118 /nfs/dbraw/zinc/62/41/18/553624118.db2.gz WIBZQZSWLRTIOI-LREROPASSA-N 0 3 506.741 5.483 50 30 KKEAHN C[C@H](NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000019851544 553624174 /nfs/dbraw/zinc/62/41/74/553624174.db2.gz WIBZQZSWLRTIOI-BBXRDKHSSA-N 0 3 506.741 5.483 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020263404 553629457 /nfs/dbraw/zinc/62/94/57/553629457.db2.gz KIMNRGKJQMGGCI-HSZRJFAPSA-N 0 3 515.448 5.158 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020290270 553634908 /nfs/dbraw/zinc/63/49/08/553634908.db2.gz XNBYBBZLBZLBOC-MMTVBGGISA-N 0 3 536.669 5.118 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938464 553637804 /nfs/dbraw/zinc/63/78/04/553637804.db2.gz MYWUOWDPVOUNCK-HRFSGMKKSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938464 553637805 /nfs/dbraw/zinc/63/78/05/553637805.db2.gz MYWUOWDPVOUNCK-HRFSGMKKSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020357930 553642608 /nfs/dbraw/zinc/64/26/08/553642608.db2.gz IKYQLONPKGFANT-CCLHPLFOSA-N 0 3 506.643 5.109 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000020394562 553645341 /nfs/dbraw/zinc/64/53/41/553645341.db2.gz JIVATQVYRMMPCL-HHHXNRCGSA-N 0 3 502.586 5.325 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000020394562 553645344 /nfs/dbraw/zinc/64/53/44/553645344.db2.gz JIVATQVYRMMPCL-HHHXNRCGSA-N 0 3 502.586 5.325 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000020057940 553671341 /nfs/dbraw/zinc/67/13/41/553671341.db2.gz MHGLXONIBVJMBX-MHZLTWQESA-N 0 3 508.659 5.349 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020057940 553671343 /nfs/dbraw/zinc/67/13/43/553671343.db2.gz MHGLXONIBVJMBX-MHZLTWQESA-N 0 3 508.659 5.349 50 30 KKEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 ZINC000020609741 553678461 /nfs/dbraw/zinc/67/84/61/553678461.db2.gz IETVWEAXJASMJR-VHYWMORQSA-N 0 3 519.129 6.361 50 30 biogenic KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020082472 553681830 /nfs/dbraw/zinc/68/18/30/553681830.db2.gz BHYNVULDPJZXOS-RUZDIDTESA-N 0 3 533.496 6.257 50 30 KKEAHN COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc32)c(Cl)cc1Cl ZINC000022448983 553742410 /nfs/dbraw/zinc/74/24/10/553742410.db2.gz UBPYILGKFZZVDX-UHFFFAOYSA-N 0 3 530.456 5.190 50 30 fda KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000024081440 553789129 /nfs/dbraw/zinc/78/91/29/553789129.db2.gz WYWOLRCTHXECBE-LJAQVGFWSA-N 0 3 526.633 5.882 50 30 KKEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097951465 553809019 /nfs/dbraw/zinc/80/90/19/553809019.db2.gz AMSDJHIXVYHODZ-GDLZYMKVSA-N 0 3 544.648 5.121 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000097951457 553809088 /nfs/dbraw/zinc/80/90/88/553809088.db2.gz OCMWNHJWUOOLLK-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097954187 553821954 /nfs/dbraw/zinc/82/19/54/553821954.db2.gz ZJYPQCZJFRPUSO-UHFFFAOYSA-N 0 3 543.671 5.685 50 30 KKEAHN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000032624553 553870533 /nfs/dbraw/zinc/87/05/33/553870533.db2.gz NPQGZSQNYFSZOI-NDEPHWFRSA-N 0 3 513.041 7.085 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097966952 553912350 /nfs/dbraw/zinc/91/23/50/553912350.db2.gz ZIEXDHHBHIUBOP-PMERELPUSA-N 0 3 558.675 5.511 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000097967230 553915395 /nfs/dbraw/zinc/91/53/95/553915395.db2.gz OEMNEIBEDHJJEO-PMERELPUSA-N 0 3 558.675 5.598 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000097967230 553915396 /nfs/dbraw/zinc/91/53/96/553915396.db2.gz OEMNEIBEDHJJEO-PMERELPUSA-N 0 3 558.675 5.598 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(CO/N=C\c4ccccc4)nn3cnc1O2 ZINC000097968285 553929858 /nfs/dbraw/zinc/92/98/58/553929858.db2.gz AKNMBDAHQFZXLP-UXUKFEMZSA-N 0 3 548.006 6.108 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097969016 553935878 /nfs/dbraw/zinc/93/58/78/553935878.db2.gz RXHWHNDZUNTURO-LGGPFLRQSA-N 0 3 550.696 5.508 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970686 553957604 /nfs/dbraw/zinc/95/76/04/553957604.db2.gz GHPPAQVVACKCTE-UGDMGKLASA-N 0 3 579.653 5.463 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000097970922 553959633 /nfs/dbraw/zinc/95/96/33/553959633.db2.gz MGXGBAZCRWJPQB-MUUNZHRXSA-N 0 3 567.513 6.801 50 30 KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21 ZINC000100038118 554191529 /nfs/dbraw/zinc/19/15/29/554191529.db2.gz IQMKPBFOEWWDIQ-ZRJNXXGPSA-N 0 3 594.625 7.205 50 30 KKEAHN C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H](N[C@@H](C)c1ccccc1)C1=CCOC1=O ZINC000059102057 554378480 /nfs/dbraw/zinc/37/84/80/554378480.db2.gz JULIWOLIFLDVRD-JHNBNOERSA-N 0 3 537.697 5.463 50 30 biogenic KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21 ZINC000101277979 554704534 /nfs/dbraw/zinc/70/45/34/554704534.db2.gz IQMKPBFOEWWDIQ-FRSFCCSCSA-N 0 3 594.625 7.205 50 30 KKEAHN CC(C)CN(C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000102096966 554879700 /nfs/dbraw/zinc/87/97/00/554879700.db2.gz RUIYJHFRUHGXNR-SHQCIBLASA-N 0 3 580.588 7.877 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175478 554892247 /nfs/dbraw/zinc/89/22/47/554892247.db2.gz SRDOJJOERRCHGH-QMMFTLRZSA-N 0 3 542.676 6.196 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000102490944 554939119 /nfs/dbraw/zinc/93/91/19/554939119.db2.gz MPILBNJUMMJQJD-UUALVTFQSA-N 0 3 553.486 6.254 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102500867 554942837 /nfs/dbraw/zinc/94/28/37/554942837.db2.gz JOECEJDMJBREFF-DFXXOVSGSA-N 0 3 543.620 5.246 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102502448 554943736 /nfs/dbraw/zinc/94/37/36/554943736.db2.gz RVEBPKCFPBDZOP-ZORLYMSLSA-N 0 3 572.702 5.745 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102502448 554943739 /nfs/dbraw/zinc/94/37/39/554943739.db2.gz RVEBPKCFPBDZOP-ZORLYMSLSA-N 0 3 572.702 5.745 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102516913 554948232 /nfs/dbraw/zinc/94/82/32/554948232.db2.gz RXQZOVSWFNAPNV-QMMFTLRZSA-N 0 3 540.704 6.245 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102516922 554948270 /nfs/dbraw/zinc/94/82/70/554948270.db2.gz RXQZOVSWFNAPNV-VEZPTTSMSA-N 0 3 540.704 6.245 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Br)c1 ZINC000102525114 554951627 /nfs/dbraw/zinc/95/16/27/554951627.db2.gz MJFKREJTFGCNFB-ONQGDUAMSA-N 0 3 563.492 5.710 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102527202 554952547 /nfs/dbraw/zinc/95/25/47/554952547.db2.gz MOOBWTUHHYDUEU-ONQGDUAMSA-N 0 3 502.586 5.087 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102530322 554953701 /nfs/dbraw/zinc/95/37/01/554953701.db2.gz NWMXWKGSCLIUFA-ONQGDUAMSA-N 0 3 506.687 5.845 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102540292 554957347 /nfs/dbraw/zinc/95/73/47/554957347.db2.gz WTAKFKPURSGWNP-TXTDGAROSA-N 0 3 514.622 5.559 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102540292 554957350 /nfs/dbraw/zinc/95/73/50/554957350.db2.gz WTAKFKPURSGWNP-TXTDGAROSA-N 0 3 514.622 5.559 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102543869 554958474 /nfs/dbraw/zinc/95/84/74/554958474.db2.gz UDWBAGJJVUCZLA-QMMFTLRZSA-N 0 3 558.675 5.442 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102543869 554958475 /nfs/dbraw/zinc/95/84/75/554958475.db2.gz UDWBAGJJVUCZLA-QMMFTLRZSA-N 0 3 558.675 5.442 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102695816 555011078 /nfs/dbraw/zinc/01/10/78/555011078.db2.gz GKECRODLVFRABR-ONQGDUAMSA-N 0 3 519.041 5.601 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102697402 555011970 /nfs/dbraw/zinc/01/19/70/555011970.db2.gz WUMRYPWAFNNUHR-DFXXOVSGSA-N 0 3 533.068 5.991 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102697402 555011971 /nfs/dbraw/zinc/01/19/71/555011971.db2.gz WUMRYPWAFNNUHR-DFXXOVSGSA-N 0 3 533.068 5.991 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102705497 555014333 /nfs/dbraw/zinc/01/43/33/555014333.db2.gz XZMXKBFWCPDJQC-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102881217 555109866 /nfs/dbraw/zinc/10/98/66/555109866.db2.gz TXJVYEKXZXKWBV-DFXXOVSGSA-N 0 3 520.714 6.091 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102881217 555109867 /nfs/dbraw/zinc/10/98/67/555109867.db2.gz TXJVYEKXZXKWBV-DFXXOVSGSA-N 0 3 520.714 6.091 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000102887552 555119633 /nfs/dbraw/zinc/11/96/33/555119633.db2.gz MUPNEXMLSDCSTK-QZDFLZESSA-N 0 3 570.686 5.361 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000102930519 555157384 /nfs/dbraw/zinc/15/73/84/555157384.db2.gz BLOKKMKNHISNHE-ONQGDUAMSA-N 0 3 508.659 5.336 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000102930519 555157386 /nfs/dbraw/zinc/15/73/86/555157386.db2.gz BLOKKMKNHISNHE-ONQGDUAMSA-N 0 3 508.659 5.336 50 30 KKEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102933322 555160474 /nfs/dbraw/zinc/16/04/74/555160474.db2.gz CGUSSGNRMNYUGO-JEPDFCTISA-N 0 3 520.670 5.343 50 30 KKEAHN CCCCCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000102999884 555199810 /nfs/dbraw/zinc/19/98/10/555199810.db2.gz FYXGDAQPWFLZIW-YTTGMZPUSA-N 0 3 537.814 6.677 50 30 KKEAHN Cc1c2cc(C#N)n(Cc3cn[nH]c3)c2ccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc32)CC1 ZINC000231128670 562881167 /nfs/dbraw/zinc/88/11/67/562881167.db2.gz DETOMBLLEOZTMZ-UHFFFAOYSA-N 0 3 564.641 5.779 50 30 in-vitro KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccccc3Cl)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3Cl)N=C(N)N2)cc1C#N ZINC000150426283 571490638 /nfs/dbraw/zinc/49/06/38/571490638.db2.gz AGAUWDLUJMBRTQ-CZFRINIUSA-N 0 3 809.769 5.616 50 30 KKEAHN CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248224831 572256797 /nfs/dbraw/zinc/25/67/97/572256797.db2.gz IUNKPUUJZYOVBE-YWEHKCAJSA-N 0 3 580.588 7.877 50 30 KKEAHN CN(C)CCOc1ccccc1C=NN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000252623129 572269902 /nfs/dbraw/zinc/26/99/02/572269902.db2.gz OKSZYIOFSXRHJB-SANMLTNESA-N 0 3 521.130 5.681 50 30 KKEAHN O=C(Oc1c(Br)cc(Br)cc1C=Nc1ccc(N2CCNCC2)cc1)c1ccccc1Br ZINC000252625664 572270576 /nfs/dbraw/zinc/27/05/76/572270576.db2.gz QOOYEEJJPWTJTC-UHFFFAOYSA-N 0 3 622.155 6.354 50 30 KKEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000008431285 1071311096 /nfs/dbraw/zinc/31/10/96/1071311096.db2.gz KHTBQXMEHFNCNM-UUQDTIDBSA-N 0 3 512.694 6.726 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000000703218 551530935 /nfs/dbraw/zinc/53/09/35/551530935.db2.gz YGQUCWINLRGZHC-LGGPFLRQSA-N 0 3 550.696 5.364 50 30 KKEAHN O=C(Nc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1)OCC(F)(F)F ZINC000008448290 553055811 /nfs/dbraw/zinc/05/58/11/553055811.db2.gz YXDVEWVNINJXEU-UHFFFAOYSA-N 0 3 666.537 7.743 50 30 KKEAHN CCOC(=O)c1c2cc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)ccc2n(-c2ccc(C)cc2)c1CN(CC)CC ZINC000008453901 553067136 /nfs/dbraw/zinc/06/71/36/553067136.db2.gz FGOJFOCWWKMXGC-UHFFFAOYSA-N 0 3 587.724 8.068 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000008740816 553132466 /nfs/dbraw/zinc/13/24/66/553132466.db2.gz XCRHSUYFUBHRJJ-HHHXNRCGSA-N 0 3 529.593 5.012 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000008740815 553132494 /nfs/dbraw/zinc/13/24/94/553132494.db2.gz XCRHSUYFUBHRJJ-MHZLTWQESA-N 0 3 529.593 5.012 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000008817205 553152539 /nfs/dbraw/zinc/15/25/39/553152539.db2.gz JCULDSRVKFIILM-HHHXNRCGSA-N 0 3 529.593 5.012 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000008905450 553183721 /nfs/dbraw/zinc/18/37/21/553183721.db2.gz WRTOHGKFCKWTSI-ZHHPLPSFSA-N 0 3 515.448 5.001 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000009007641 553198124 /nfs/dbraw/zinc/19/81/24/553198124.db2.gz JYZQWNDMJHDQTJ-HSZRJFAPSA-N 0 3 515.448 5.075 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009046318 553203802 /nfs/dbraw/zinc/20/38/02/553203802.db2.gz UPYTYYRQPGEMTG-VEZPTTSMSA-N 0 3 526.677 5.900 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000009122121 553212115 /nfs/dbraw/zinc/21/21/15/553212115.db2.gz RHEPLZKMZNMZKV-HHHXNRCGSA-N 0 3 508.659 5.493 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000009122121 553212117 /nfs/dbraw/zinc/21/21/17/553212117.db2.gz RHEPLZKMZNMZKV-HHHXNRCGSA-N 0 3 508.659 5.493 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009173500 553215930 /nfs/dbraw/zinc/21/59/30/553215930.db2.gz MPMXGXXNXOAOJA-NDEPHWFRSA-N 0 3 538.685 5.501 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009173500 553215931 /nfs/dbraw/zinc/21/59/31/553215931.db2.gz MPMXGXXNXOAOJA-NDEPHWFRSA-N 0 3 538.685 5.501 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009244346 553227111 /nfs/dbraw/zinc/22/71/11/553227111.db2.gz HQIZFPRSQUOYNJ-QHCPKHFHSA-N 0 3 505.442 5.558 50 30 KKEAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000009266113 553229845 /nfs/dbraw/zinc/22/98/45/553229845.db2.gz PUZXRQRUDJOUFK-MDUPQVTGSA-N 0 3 503.522 5.048 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1C ZINC000009273274 553232208 /nfs/dbraw/zinc/23/22/08/553232208.db2.gz UGEKGIORQJMUFD-XMMPIXPASA-N 0 3 529.475 5.466 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009373691 553250460 /nfs/dbraw/zinc/25/04/60/553250460.db2.gz IJUWLSWJNUGJTR-MHZLTWQESA-N 0 3 524.658 5.198 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731647 553577335 /nfs/dbraw/zinc/57/73/35/553577335.db2.gz CEENBFPMSDEMHQ-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016731647 553577337 /nfs/dbraw/zinc/57/73/37/553577337.db2.gz CEENBFPMSDEMHQ-SSEXGKCCSA-N 0 3 526.677 6.057 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734091 553578241 /nfs/dbraw/zinc/57/82/41/553578241.db2.gz WIMRTDFJDIUKND-PIKZIKFNSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734091 553578243 /nfs/dbraw/zinc/57/82/43/553578243.db2.gz WIMRTDFJDIUKND-PIKZIKFNSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000016734107 553578263 /nfs/dbraw/zinc/57/82/63/553578263.db2.gz GLEHLYVGHAVGQI-PIIWDFAUSA-N 0 3 536.669 5.118 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734095 553578303 /nfs/dbraw/zinc/57/83/03/553578303.db2.gz WIMRTDFJDIUKND-LYZGTLIUSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734095 553578305 /nfs/dbraw/zinc/57/83/05/553578305.db2.gz WIMRTDFJDIUKND-LYZGTLIUSA-N 0 3 520.670 5.499 50 30 KKEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016734043 553578326 /nfs/dbraw/zinc/57/83/26/553578326.db2.gz MHCXUWHWPGYULV-MMTVBGGISA-N 0 3 512.606 5.332 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000016804833 553582730 /nfs/dbraw/zinc/58/27/30/553582730.db2.gz ARBOAZJMHZNDGR-LJAQVGFWSA-N 0 3 526.633 5.882 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020131470 553591593 /nfs/dbraw/zinc/59/15/93/553591593.db2.gz PQOMCGNAQRDPCK-MHZLTWQESA-N 0 3 524.658 5.054 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020131470 553591598 /nfs/dbraw/zinc/59/15/98/553591598.db2.gz PQOMCGNAQRDPCK-MHZLTWQESA-N 0 3 524.658 5.054 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1CCC#N ZINC000020132265 553591960 /nfs/dbraw/zinc/59/19/60/553591960.db2.gz LKNFDTYOAXAXGE-UHFFFAOYSA-N 0 3 510.645 6.035 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938465 553637746 /nfs/dbraw/zinc/63/77/46/553637746.db2.gz MYWUOWDPVOUNCK-NFQMXDRXSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938465 553637748 /nfs/dbraw/zinc/63/77/48/553637748.db2.gz MYWUOWDPVOUNCK-NFQMXDRXSA-N 0 3 506.643 5.109 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1C ZINC000019938382 553637758 /nfs/dbraw/zinc/63/77/58/553637758.db2.gz IZFJOIFYFYTPMJ-LJAQVGFWSA-N 0 3 526.633 5.279 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938450 553637817 /nfs/dbraw/zinc/63/78/17/553637817.db2.gz QRRWHQRIIGJUFJ-LGGPFLRQSA-N 0 3 526.633 5.722 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019938450 553637819 /nfs/dbraw/zinc/63/78/19/553637819.db2.gz QRRWHQRIIGJUFJ-LGGPFLRQSA-N 0 3 526.633 5.722 50 30 KKEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020324006 553638227 /nfs/dbraw/zinc/63/82/27/553638227.db2.gz HUFNZDCZPTYODW-NFQMXDRXSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020518393 553668766 /nfs/dbraw/zinc/66/87/66/553668766.db2.gz YNNHJFSZFGATNL-NGOKVRLYSA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000020081498 553680555 /nfs/dbraw/zinc/68/05/55/553680555.db2.gz ITMOAXXAMSCISY-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000020081498 553680556 /nfs/dbraw/zinc/68/05/56/553680556.db2.gz ITMOAXXAMSCISY-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000096021536 553717377 /nfs/dbraw/zinc/71/73/77/553717377.db2.gz VVOZEPCSECAQTR-UHFFFAOYSA-N 0 3 582.151 7.823 50 30 KKEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081187 553788760 /nfs/dbraw/zinc/78/87/60/553788760.db2.gz SKACISXSJOBTPT-MHZLTWQESA-N 0 3 506.643 5.269 50 30 KKEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000024081187 553788761 /nfs/dbraw/zinc/78/87/61/553788761.db2.gz SKACISXSJOBTPT-MHZLTWQESA-N 0 3 506.643 5.269 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080919 553788777 /nfs/dbraw/zinc/78/87/77/553788777.db2.gz WZCASRQWLJOEJF-MHZLTWQESA-N 0 3 506.687 6.001 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080919 553788778 /nfs/dbraw/zinc/78/87/78/553788778.db2.gz WZCASRQWLJOEJF-MHZLTWQESA-N 0 3 506.687 6.001 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081341 553788797 /nfs/dbraw/zinc/78/87/97/553788797.db2.gz KWXLEIHKERHLAE-QHCPKHFHSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081341 553788798 /nfs/dbraw/zinc/78/87/98/553788798.db2.gz KWXLEIHKERHLAE-QHCPKHFHSA-N 0 3 515.448 5.076 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080917 553788800 /nfs/dbraw/zinc/78/88/00/553788800.db2.gz WZCASRQWLJOEJF-HHHXNRCGSA-N 0 3 506.687 6.001 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080917 553788801 /nfs/dbraw/zinc/78/88/01/553788801.db2.gz WZCASRQWLJOEJF-HHHXNRCGSA-N 0 3 506.687 6.001 50 30 KKEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000024116235 553789106 /nfs/dbraw/zinc/78/91/06/553789106.db2.gz BFCQSMJGXRPFGN-MHZLTWQESA-N 0 3 504.627 5.045 50 30 KKEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000024116235 553789109 /nfs/dbraw/zinc/78/91/09/553789109.db2.gz BFCQSMJGXRPFGN-MHZLTWQESA-N 0 3 504.627 5.045 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000097951335 553808380 /nfs/dbraw/zinc/80/83/80/553808380.db2.gz MTJQYQFMQGLLCM-SSEXGKCCSA-N 0 3 548.724 8.654 50 30 KKEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097952580 553816943 /nfs/dbraw/zinc/81/69/43/553816943.db2.gz FWKVIIWRDWCVHX-LJAQVGFWSA-N 0 3 544.648 5.121 50 30 KKEAHN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)c(OC)c2)cc1 ZINC000097962052 553882819 /nfs/dbraw/zinc/88/28/19/553882819.db2.gz YCRAHEMLDDKWMR-DTUGYKJQSA-N 0 3 603.639 5.481 50 30 KKEAHN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1OC ZINC000097965912 553906055 /nfs/dbraw/zinc/90/60/55/553906055.db2.gz OYHUGIJBBMUHPP-RAHWAXCDSA-N 0 3 577.601 5.455 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097966768 553910352 /nfs/dbraw/zinc/91/03/52/553910352.db2.gz HDDYYJJOXRNFNW-NDEPHWFRSA-N 0 3 543.620 5.402 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097966885 553911471 /nfs/dbraw/zinc/91/14/71/553911471.db2.gz IHDSABODTUKACD-HKBQPEDESA-N 0 3 572.702 5.901 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000097966885 553911474 /nfs/dbraw/zinc/91/14/74/553911474.db2.gz IHDSABODTUKACD-HKBQPEDESA-N 0 3 572.702 5.901 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000097967626 553920988 /nfs/dbraw/zinc/92/09/88/553920988.db2.gz CZWMMBMJSQAATB-GDLZYMKVSA-N 0 3 566.695 5.202 50 30 KKEAHN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000097968096 553927446 /nfs/dbraw/zinc/92/74/46/553927446.db2.gz WHICVGKEUWUGOU-FWTQKNDTSA-N 0 3 547.575 5.447 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097969446 553941198 /nfs/dbraw/zinc/94/11/98/553941198.db2.gz PIJFHDBTAVUWHL-MHZLTWQESA-N 0 3 554.684 5.120 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097970665 553957232 /nfs/dbraw/zinc/95/72/32/553957232.db2.gz SPLANUVHMMRFOD-LJAQVGFWSA-N 0 3 566.695 5.346 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097970664 553957244 /nfs/dbraw/zinc/95/72/44/553957244.db2.gz SPLANUVHMMRFOD-GDLZYMKVSA-N 0 3 566.695 5.346 50 30 KKEAHN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1cccs1)N1CCCC1 ZINC000035671560 554062511 /nfs/dbraw/zinc/06/25/11/554062511.db2.gz SDJUXOZUJWLEKU-XMMPIXPASA-N 0 3 505.043 6.756 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047112 554146770 /nfs/dbraw/zinc/14/67/70/554146770.db2.gz JPKNXHUPDSHHCG-PMERELPUSA-N 0 3 542.676 6.496 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047112 554146773 /nfs/dbraw/zinc/14/67/73/554146773.db2.gz JPKNXHUPDSHHCG-PMERELPUSA-N 0 3 542.676 6.496 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000044460017 554302137 /nfs/dbraw/zinc/30/21/37/554302137.db2.gz OCMWNHJWUOOLLK-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2c(C)ccc3ccccc32)CC1 ZINC000100692878 554450177 /nfs/dbraw/zinc/45/01/77/554450177.db2.gz KMUVMUGDCAXFHX-UHFFFAOYSA-N 0 3 557.786 8.354 50 30 KKEAHN CCc1ccc([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000101360718 554742269 /nfs/dbraw/zinc/74/22/69/554742269.db2.gz FAVCTVBGNVRGBJ-PMERELPUSA-N 0 3 541.095 7.647 50 30 KKEAHN CC(C)c1ccc([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000101360796 554742483 /nfs/dbraw/zinc/74/24/83/554742483.db2.gz MIRARXJTOYOLTK-HKBQPEDESA-N 0 3 555.122 8.208 50 30 KKEAHN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000101366750 554743938 /nfs/dbraw/zinc/74/39/38/554743938.db2.gz SEJFCPVGVJSJCT-UHFFFAOYSA-N 0 3 535.117 6.188 50 30 KKEAHN COc1ccc(CC/N=C2/C[C@@H](c3ccccc3)N(CCc3ccc(OC)c(OC)c3)C[C@]2(C)O)cc1OC ZINC000101392365 554755968 /nfs/dbraw/zinc/75/59/68/554755968.db2.gz TYHNYIKMAKFKGA-UZFXAWNISA-N 0 3 532.681 5.145 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102168822 554890662 /nfs/dbraw/zinc/89/06/62/554890662.db2.gz HCOBRIVGAXMNJV-SBXHHDGASA-N 0 3 519.469 5.710 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Br)c1 ZINC000102169120 554890873 /nfs/dbraw/zinc/89/08/73/554890873.db2.gz XSTYVJNNFGKPBB-SBXHHDGASA-N 0 3 529.475 5.166 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000102519993 554949294 /nfs/dbraw/zinc/94/92/94/554949294.db2.gz QGOHNTPJBJJKHG-RJIUIVJKSA-N 0 3 576.693 6.740 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000102535155 554955350 /nfs/dbraw/zinc/95/53/50/554955350.db2.gz UYFLOITXMIDYSW-ONQGDUAMSA-N 0 3 553.486 6.254 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000102656186 554999074 /nfs/dbraw/zinc/99/90/74/554999074.db2.gz QZLJJNYFFKRSNZ-MIOXIQPJSA-N 0 3 566.695 5.045 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102703237 555013388 /nfs/dbraw/zinc/01/33/88/555013388.db2.gz YEMCPKHBKDMODX-MIOXIQPJSA-N 0 3 544.648 5.052 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102713438 555017703 /nfs/dbraw/zinc/01/77/03/555017703.db2.gz ZYYGSVVNZPPEMD-ONQGDUAMSA-N 0 3 502.586 5.087 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccccc1F ZINC000102715557 555018546 /nfs/dbraw/zinc/01/85/46/555018546.db2.gz PBMWPXRUNITLFM-DFXXOVSGSA-N 0 3 516.613 5.477 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000102717604 555019324 /nfs/dbraw/zinc/01/93/24/555019324.db2.gz BZQMMIJAZLYMBC-MIOXIQPJSA-N 0 3 528.649 5.948 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102725459 555021263 /nfs/dbraw/zinc/02/12/63/555021263.db2.gz DJFWCXFWWWDTIN-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102725459 555021265 /nfs/dbraw/zinc/02/12/65/555021265.db2.gz DJFWCXFWWWDTIN-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)cc1 ZINC000102732158 555024105 /nfs/dbraw/zinc/02/41/05/555024105.db2.gz HNGHQQQEYCRKRQ-DFXXOVSGSA-N 0 3 514.622 5.043 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)cc1 ZINC000102732158 555024106 /nfs/dbraw/zinc/02/41/06/555024106.db2.gz HNGHQQQEYCRKRQ-DFXXOVSGSA-N 0 3 514.622 5.043 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859185 555089675 /nfs/dbraw/zinc/08/96/75/555089675.db2.gz XQPGXINKRUBLAM-YJMWBXFMSA-N 0 3 550.696 5.351 50 30 KKEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000102860474 555090537 /nfs/dbraw/zinc/09/05/37/555090537.db2.gz SUCLBWVEMPNHOA-ONQGDUAMSA-N 0 3 502.586 5.087 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102876596 555106139 /nfs/dbraw/zinc/10/61/39/555106139.db2.gz QYWRDNGJQHVUHB-VEZPTTSMSA-N 0 3 542.676 6.340 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102883334 555111642 /nfs/dbraw/zinc/11/16/42/555111642.db2.gz MXBJBVVZHLTTRH-WGGXKBPPSA-N 0 3 526.677 5.855 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)C1c1ccccc1[N+](=O)[O-] ZINC000102894048 555132008 /nfs/dbraw/zinc/13/20/08/555132008.db2.gz OOJUSOSFNQABBB-AHPONGEQSA-N 0 3 578.750 8.506 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102894883 555133211 /nfs/dbraw/zinc/13/32/11/555133211.db2.gz TVJVWIZUIMBIGY-MIOXIQPJSA-N 0 3 512.650 5.681 50 30 KKEAHN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896557 555136506 /nfs/dbraw/zinc/13/65/06/555136506.db2.gz NFRFIHANKJLNQM-FFMCZVIESA-N 0 3 579.653 5.306 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102899779 555139706 /nfs/dbraw/zinc/13/97/06/555139706.db2.gz DEUHXVHJZIEMOY-QMMFTLRZSA-N 0 3 558.675 5.442 50 30 KKEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102930378 555157012 /nfs/dbraw/zinc/15/70/12/555157012.db2.gz DTPSIPVUOZKTLF-TVKWNQJWSA-N 0 3 564.723 5.741 50 30 KKEAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000103168109 555323806 /nfs/dbraw/zinc/32/38/06/555323806.db2.gz CCKZYOBYZHIVCT-UHFFFAOYSA-N 0 3 582.495 6.499 50 30 KKEAHN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000106014734 571410255 /nfs/dbraw/zinc/41/02/55/571410255.db2.gz JKDKXOHPUDDMIF-MPFGFTFXSA-N 0 3 567.513 7.784 50 30 KKEAHN COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CCN4C[C@H]3CC(C)C)[C@H](CC(C)C)CN1CC2 ZINC000111078875 571432015 /nfs/dbraw/zinc/43/20/15/571432015.db2.gz ROCDXPADLYVOGR-JRULRQNBSA-N 0 3 630.874 7.149 50 30 KKEAHN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000252428224 572260579 /nfs/dbraw/zinc/26/05/79/572260579.db2.gz VAEZLCHCFUMAGF-WGLAXHJDSA-N 0 3 500.595 6.167 50 30 KKEAHN COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=Nc2ccc(N3CCNCC3)cc2)cc(OC)c1OC ZINC000252627557 572270777 /nfs/dbraw/zinc/27/07/77/572270777.db2.gz RWXHXBPCPOHQSZ-UHFFFAOYSA-N 0 3 633.337 5.617 50 30 KKEAHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000006094800 552534215 /nfs/dbraw/zinc/53/42/15/552534215.db2.gz AEKWZCPVNPQJTR-AREMUKBSSA-N 0 3 520.614 5.459 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383605 552987120 /nfs/dbraw/zinc/98/71/20/552987120.db2.gz JNPOEWHETXFYER-WKRVVKTRSA-N 0 3 570.686 5.518 50 30 KKEAHN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)C(C(C)C)S2)cc1Cl ZINC000008387152 552993233 /nfs/dbraw/zinc/99/32/33/552993233.db2.gz YMWNIHGZLVVQFU-XFBJJFJZSA-N 0 3 516.044 5.147 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008738050 553130807 /nfs/dbraw/zinc/13/08/07/553130807.db2.gz KIBNZFIJWJWQMH-XMMPIXPASA-N 0 3 519.469 5.867 50 30 KKEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980305 553196042 /nfs/dbraw/zinc/19/60/42/553196042.db2.gz JNFNZFNHCKBDOA-QFIPXVFZSA-N 0 3 523.559 5.458 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000008996841 553197477 /nfs/dbraw/zinc/19/74/77/553197477.db2.gz XZXSQIVDBLDINZ-MHZLTWQESA-N 0 3 519.041 5.757 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009045370 553203279 /nfs/dbraw/zinc/20/32/79/553203279.db2.gz LAAVDVGZDFEZNZ-WGGXKBPPSA-N 0 3 528.649 5.346 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009123669 553212384 /nfs/dbraw/zinc/21/23/84/553212384.db2.gz DZEJHMKMVQBTDK-DEOSSOPVSA-N 0 3 519.469 6.011 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009177033 553216307 /nfs/dbraw/zinc/21/63/07/553216307.db2.gz DAEWUFPAPPTWTM-RUZDIDTESA-N 0 3 533.496 6.401 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009177033 553216308 /nfs/dbraw/zinc/21/63/08/553216308.db2.gz DAEWUFPAPPTWTM-RUZDIDTESA-N 0 3 533.496 6.401 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000009271336 553230642 /nfs/dbraw/zinc/23/06/42/553230642.db2.gz NDVARFVTTNBHJQ-OAQYLSRUSA-N 0 3 521.839 5.031 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000009339535 553243496 /nfs/dbraw/zinc/24/34/96/553243496.db2.gz IUTJXWSQDSZZBB-OAQYLSRUSA-N 0 3 521.839 5.031 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000009437195 553264802 /nfs/dbraw/zinc/26/48/02/553264802.db2.gz BOADGFWGUNIZNX-UUALVTFQSA-N 0 3 502.586 5.168 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000009437195 553264803 /nfs/dbraw/zinc/26/48/03/553264803.db2.gz BOADGFWGUNIZNX-UUALVTFQSA-N 0 3 502.586 5.168 50 30 KKEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccccc3F)cc2)c1 ZINC000013569757 553473603 /nfs/dbraw/zinc/47/36/03/553473603.db2.gz HBLYFDGMWVSUCY-HHHXNRCGSA-N 0 3 502.586 5.243 50 30 KKEAHN CCCCCCN(CCCCCC)CC(=O)C(C#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000015905856 553540071 /nfs/dbraw/zinc/54/00/71/553540071.db2.gz PPKZNHUWGMCYFC-JOCHJYFZSA-N 0 3 504.538 7.211 50 30 KKEAHN CCCCCCN(CCCCCC)CC(=O)C(C#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000015905857 553540146 /nfs/dbraw/zinc/54/01/46/553540146.db2.gz PPKZNHUWGMCYFC-QFIPXVFZSA-N 0 3 504.538 7.211 50 30 KKEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016733124 553577943 /nfs/dbraw/zinc/57/79/43/553577943.db2.gz WRDZRBXFYAWCHW-QHCPKHFHSA-N 0 3 503.426 5.478 50 30 KKEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016733124 553577944 /nfs/dbraw/zinc/57/79/44/553577944.db2.gz WRDZRBXFYAWCHW-QHCPKHFHSA-N 0 3 503.426 5.478 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734085 553578332 /nfs/dbraw/zinc/57/83/32/553578332.db2.gz WIMRTDFJDIUKND-KMRXNPHXSA-N 0 3 520.670 5.499 50 30 KKEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016734085 553578335 /nfs/dbraw/zinc/57/83/35/553578335.db2.gz WIMRTDFJDIUKND-KMRXNPHXSA-N 0 3 520.670 5.499 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000020171591 553601984 /nfs/dbraw/zinc/60/19/84/553601984.db2.gz OBJGKHCFPASYGR-NDEPHWFRSA-N 0 3 514.622 5.200 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000020193067 553606218 /nfs/dbraw/zinc/60/62/18/553606218.db2.gz JLVHLDZROHDKPM-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000020193067 553606220 /nfs/dbraw/zinc/60/62/20/553606220.db2.gz JLVHLDZROHDKPM-LJAQVGFWSA-N 0 3 528.649 5.503 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219696 553615471 /nfs/dbraw/zinc/61/54/71/553615471.db2.gz YDTPSRSLBUMMPD-LJAQVGFWSA-N 0 3 528.649 5.373 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219696 553615472 /nfs/dbraw/zinc/61/54/72/553615472.db2.gz YDTPSRSLBUMMPD-LJAQVGFWSA-N 0 3 528.649 5.373 50 30 KKEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020228296 553616422 /nfs/dbraw/zinc/61/64/22/553616422.db2.gz HHLZOMGEWUEZGC-SANMLTNESA-N 0 3 520.651 5.044 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)o1 ZINC000020230852 553617369 /nfs/dbraw/zinc/61/73/69/553617369.db2.gz GBDZZZCLBHWHQN-MHZLTWQESA-N 0 3 502.611 5.396 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccccc1F ZINC000020231021 553617490 /nfs/dbraw/zinc/61/74/90/553617490.db2.gz JUDIKNDVMDOQDB-MUUNZHRXSA-N 0 3 516.613 5.633 50 30 KKEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020232030 553617721 /nfs/dbraw/zinc/61/77/21/553617721.db2.gz NDQSCDDXDKXELG-MUUNZHRXSA-N 0 3 514.622 5.113 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020233744 553619404 /nfs/dbraw/zinc/61/94/04/553619404.db2.gz YMHSLMZZATUJET-GDLZYMKVSA-N 0 3 512.650 5.666 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938463 553637794 /nfs/dbraw/zinc/63/77/94/553637794.db2.gz MYWUOWDPVOUNCK-CCLHPLFOSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000019938463 553637796 /nfs/dbraw/zinc/63/77/96/553637796.db2.gz MYWUOWDPVOUNCK-CCLHPLFOSA-N 0 3 506.643 5.109 50 30 KKEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020394531 553645336 /nfs/dbraw/zinc/64/53/36/553645336.db2.gz VLGGALVVOCOREY-WTYVLRPYSA-N 0 3 536.669 5.118 50 30 KKEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020394527 553645397 /nfs/dbraw/zinc/64/53/97/553645397.db2.gz VLGGALVVOCOREY-MMTVBGGISA-N 0 3 536.669 5.118 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020057127 553671007 /nfs/dbraw/zinc/67/10/07/553671007.db2.gz SUMTVFBJLNSVMG-MUUNZHRXSA-N 0 3 514.622 5.716 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020057127 553671011 /nfs/dbraw/zinc/67/10/11/553671011.db2.gz SUMTVFBJLNSVMG-MUUNZHRXSA-N 0 3 514.622 5.716 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020064639 553674996 /nfs/dbraw/zinc/67/49/96/553674996.db2.gz NFALVVLLDRSVLX-PMERELPUSA-N 0 3 526.677 6.057 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020101813 553687034 /nfs/dbraw/zinc/68/70/34/553687034.db2.gz ZXISZMMEERQURO-NDEPHWFRSA-N 0 3 538.685 5.357 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020101813 553687041 /nfs/dbraw/zinc/68/70/41/553687041.db2.gz ZXISZMMEERQURO-NDEPHWFRSA-N 0 3 538.685 5.357 50 30 KKEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080632 553788508 /nfs/dbraw/zinc/78/85/08/553788508.db2.gz NCSDADLZUZEZET-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080632 553788510 /nfs/dbraw/zinc/78/85/10/553788510.db2.gz NCSDADLZUZEZET-DEOSSOPVSA-N 0 3 529.475 5.466 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081338 553788772 /nfs/dbraw/zinc/78/87/72/553788772.db2.gz KWXLEIHKERHLAE-HSZRJFAPSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081338 553788773 /nfs/dbraw/zinc/78/87/73/553788773.db2.gz KWXLEIHKERHLAE-HSZRJFAPSA-N 0 3 515.448 5.076 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000097951570 553809981 /nfs/dbraw/zinc/80/99/81/553809981.db2.gz ZHSREQFAHLSAKM-GDLZYMKVSA-N 0 3 544.648 5.208 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097952268 553814380 /nfs/dbraw/zinc/81/43/80/553814380.db2.gz AXQKZNBRLBSADJ-LJAQVGFWSA-N 0 3 544.648 5.208 50 30 KKEAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000097962049 553882484 /nfs/dbraw/zinc/88/24/84/553882484.db2.gz URIXABPVXYAGQB-AXPYDQDRSA-N 0 3 573.613 5.472 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966869 553911276 /nfs/dbraw/zinc/91/12/76/553911276.db2.gz NCKYEHVTQUULJY-UMSFTDKQSA-N 0 3 590.720 7.286 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966869 553911279 /nfs/dbraw/zinc/91/12/79/553911279.db2.gz NCKYEHVTQUULJY-UMSFTDKQSA-N 0 3 590.720 7.286 50 30 KKEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000097966950 553912246 /nfs/dbraw/zinc/91/22/46/553912246.db2.gz AQSWVTXNAPCWGS-PMERELPUSA-N 0 3 558.675 5.511 50 30 KKEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000097967182 553914710 /nfs/dbraw/zinc/91/47/10/553914710.db2.gz IUXOETNYSHBMNB-JGCGQSQUSA-N 0 3 562.666 6.506 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967471 553918827 /nfs/dbraw/zinc/91/88/27/553918827.db2.gz NMQJZRQLTASKJQ-JIYROHSKSA-N 0 3 593.680 5.853 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000097967760 553922749 /nfs/dbraw/zinc/92/27/49/553922749.db2.gz GHIHHQINBWGUKF-KCWXNJEJSA-N 0 3 550.696 5.364 50 30 KKEAHN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000097968097 553927413 /nfs/dbraw/zinc/92/74/13/553927413.db2.gz WHICVGKEUWUGOU-LYMBNDKLSA-N 0 3 547.575 5.447 50 30 KKEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCCC(C)C ZINC000097969511 553941854 /nfs/dbraw/zinc/94/18/54/553941854.db2.gz MSUIHJLXHPCUHQ-RCRUUEGKSA-N 0 3 564.723 5.754 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000097969882 553946536 /nfs/dbraw/zinc/94/65/36/553946536.db2.gz LYMOCUONLKHSBT-JPZYQRIQSA-N 0 3 570.686 5.518 50 30 KKEAHN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864674 554022069 /nfs/dbraw/zinc/02/20/69/554022069.db2.gz VAEZLCHCFUMAGF-CZMYDKJZSA-N 0 3 500.595 6.167 50 30 KKEAHN CCc1ccc([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCCC2)cc1 ZINC000035671282 554062351 /nfs/dbraw/zinc/06/23/51/554062351.db2.gz ILOOMXJLTUXVKQ-LJAQVGFWSA-N 0 3 527.068 7.257 50 30 KKEAHN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000098046586 554141220 /nfs/dbraw/zinc/14/12/20/554141220.db2.gz ARFGUICVEDKKHM-LJAQVGFWSA-N 0 3 540.616 5.550 50 30 KKEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000098047697 554154405 /nfs/dbraw/zinc/15/44/05/554154405.db2.gz WRRRKIDFCRLSLW-GDLZYMKVSA-N 0 3 563.094 6.238 50 30 KKEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000098047697 554154407 /nfs/dbraw/zinc/15/44/07/554154407.db2.gz WRRRKIDFCRLSLW-GDLZYMKVSA-N 0 3 563.094 6.238 50 30 KKEAHN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000050861085 554327861 /nfs/dbraw/zinc/32/78/61/554327861.db2.gz DGPYODZTWZIHBP-UHFFFAOYSA-N 0 3 561.733 7.478 50 30 KKEAHN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000101998030 554865584 /nfs/dbraw/zinc/86/55/84/554865584.db2.gz DNUFYPCTUOHQJJ-UHFFFAOYSA-N 0 3 555.682 6.055 50 30 KKEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102169728 554891158 /nfs/dbraw/zinc/89/11/58/554891158.db2.gz WFWHPHATXCOFMM-ZHHPLPSFSA-N 0 3 505.442 5.402 50 30 KKEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102169197 554891249 /nfs/dbraw/zinc/89/12/49/554891249.db2.gz IABJSEVDOSJNIF-VEZPTTSMSA-N 0 3 542.676 6.196 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102488446 554938825 /nfs/dbraw/zinc/93/88/25/554938825.db2.gz QSSORWTUZKAMGG-TXTDGAROSA-N 0 3 543.620 5.246 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102494273 554940067 /nfs/dbraw/zinc/94/00/67/554940067.db2.gz HHQXFIRPTGKPHP-DFXXOVSGSA-N 0 3 520.714 6.235 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102494273 554940070 /nfs/dbraw/zinc/94/00/70/554940070.db2.gz HHQXFIRPTGKPHP-DFXXOVSGSA-N 0 3 520.714 6.235 50 30 KKEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102505411 554944525 /nfs/dbraw/zinc/94/45/25/554944525.db2.gz PCCWSPKRLKRDLF-UUALVTFQSA-N 0 3 500.595 5.169 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)C1c1ccccc1[N+](=O)[O-] ZINC000102521355 554949721 /nfs/dbraw/zinc/94/97/21/554949721.db2.gz LCEABNNGCDGOOQ-VEZPTTSMSA-N 0 3 627.620 9.260 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000102525612 554951883 /nfs/dbraw/zinc/95/18/83/554951883.db2.gz QLRPWAUDTVALBC-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000102525612 554951884 /nfs/dbraw/zinc/95/18/84/554951884.db2.gz QLRPWAUDTVALBC-WGGXKBPPSA-N 0 3 544.648 5.052 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102526461 554952163 /nfs/dbraw/zinc/95/21/63/554952163.db2.gz DOJTYAULDQRZPV-DFXXOVSGSA-N 0 3 538.685 5.345 50 30 KKEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102526461 554952164 /nfs/dbraw/zinc/95/21/64/554952164.db2.gz DOJTYAULDQRZPV-DFXXOVSGSA-N 0 3 538.685 5.345 50 30 KKEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000102534002 554955105 /nfs/dbraw/zinc/95/51/05/554955105.db2.gz OXLXPOADXUAESZ-UUALVTFQSA-N 0 3 563.492 5.710 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000102562601 554968561 /nfs/dbraw/zinc/96/85/61/554968561.db2.gz DXCCMDCTRJHYEF-YJMWBXFMSA-N 0 3 550.696 5.207 50 30 KKEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)ccc1OCc1ccccc1 ZINC000102624758 554988009 /nfs/dbraw/zinc/98/80/09/554988009.db2.gz IDQQOLOULDLLQP-AHPONGEQSA-N 0 3 586.685 5.199 50 30 KKEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102702924 555013292 /nfs/dbraw/zinc/01/32/92/555013292.db2.gz HPVUYUKPCLGYLB-IUKMQXEJSA-N 0 3 543.502 5.700 50 30 KKEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102720506 555019957 /nfs/dbraw/zinc/01/99/57/555019957.db2.gz JKQNJIPIXUAZQH-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102720506 555019958 /nfs/dbraw/zinc/01/99/58/555019958.db2.gz JKQNJIPIXUAZQH-MIOXIQPJSA-N 0 3 528.649 5.346 50 30 KKEAHN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102727402 555022293 /nfs/dbraw/zinc/02/22/93/555022293.db2.gz NIFJDZUIGDUVOD-MIOXIQPJSA-N 0 3 512.650 5.510 50 30 KKEAHN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102727398 555022357 /nfs/dbraw/zinc/02/23/57/555022357.db2.gz NIFJDZUIGDUVOD-WGGXKBPPSA-N 0 3 512.650 5.510 50 30 KKEAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102767802 555055829 /nfs/dbraw/zinc/05/58/29/555055829.db2.gz GZCWSEBHFBQBQX-JCYYIGJDSA-N 0 3 511.578 5.187 50 30 KKEAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102860665 555090998 /nfs/dbraw/zinc/09/09/98/555090998.db2.gz KPONMRUJQNUCBT-UBFVSLLYSA-N 0 3 550.036 5.220 50 30 KKEAHN N#Cc1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000102912248 555142913 /nfs/dbraw/zinc/14/29/13/555142913.db2.gz ZEKGEUXQBBSNIS-RJGXRXQPSA-N 0 3 534.981 5.111 50 30 KKEAHN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-] ZINC000102928492 555154030 /nfs/dbraw/zinc/15/40/30/555154030.db2.gz SMGOGZJQDZLEST-HNWSYWITSA-N 0 3 548.724 8.498 50 30 KKEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102933318 555160513 /nfs/dbraw/zinc/16/05/13/555160513.db2.gz CGUSSGNRMNYUGO-WZEFDDPJSA-N 0 3 520.670 5.343 50 30 KKEAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000103146669 555314000 /nfs/dbraw/zinc/31/40/00/555314000.db2.gz XDJVIAAAVDVNRN-UHFFFAOYSA-N 0 3 584.458 6.323 50 30 KKEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)c(Cl)c3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)c(Cl)c3)N=C(N)N2)cc1C#N ZINC000150425825 571490071 /nfs/dbraw/zinc/49/00/71/571490071.db2.gz JAPHFTXDOPPGAH-CZFRINIUSA-N 0 3 878.659 6.923 50 30 KKEAHN CCOc1ccc([C@@H]2N=C(N)NC(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@@H](c6ccc(OCC)cc6)N=C(N)N5)cc4C#N)c(C#N)c3)=N2)cc1 ZINC000150426840 571491122 /nfs/dbraw/zinc/49/11/22/571491122.db2.gz QZIVELCTIVYNQV-JXLNJXQWSA-N 0 3 828.985 5.107 50 30 KKEAHN C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc21 ZINC000199519884 571569022 /nfs/dbraw/zinc/56/90/22/571569022.db2.gz IQMKPBFOEWWDIQ-FSTMGOICSA-N 0 3 594.625 7.205 50 30 KKEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000217459740 571601661 /nfs/dbraw/zinc/60/16/61/571601661.db2.gz YFSJFJGUSDZTSP-QKGNOAGXSA-N 0 3 535.128 5.574 50 30 biogenic KKEAHN CCCCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248083669 572253251 /nfs/dbraw/zinc/25/32/51/572253251.db2.gz KELPGJRNJIWNQE-OOWIMERYSA-N 0 3 523.787 6.204 50 30 KKEAHN C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000248190167 572256492 /nfs/dbraw/zinc/25/64/92/572256492.db2.gz KHTBQXMEHFNCNM-DFYDWHIGSA-N 0 3 512.694 6.726 50 30 KKEAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248224829 572256787 /nfs/dbraw/zinc/25/67/87/572256787.db2.gz IUNKPUUJZYOVBE-CUBQBAPOSA-N 0 3 580.588 7.877 50 30 KKEAHN COc1ccc(CC/N=C2/C[C@H](c3ccccc3)N(CCc3ccc(OC)c(OC)c3)C[C@]2(C)O)cc1OC ZINC000250252530 572258961 /nfs/dbraw/zinc/25/89/61/572258961.db2.gz TYHNYIKMAKFKGA-SPZZCYSYSA-N 0 3 532.681 5.145 50 30 KKEAHN CN(C)CCOc1cccc(C=NN2CCN([C@H]3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)c1 ZINC000252615402 572268601 /nfs/dbraw/zinc/26/86/01/572268601.db2.gz JRWQSZYMLRVPHY-MHZLTWQESA-N 0 3 521.130 5.681 50 30 KKEAHN